NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
603386 | 2nbb | 25970 | 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 H1 GLY 1 9.618 -17.068 -7.266 2 HA2 GLY 1 HA2 GLY 1 10.072 -14.667 -7.138 3 HA3 GLY 1 HA3 GLY 1 10.447 -15.455 -5.603 4 H SER 2 H SER 2 11.975 -13.826 -5.128 5 HA SER 2 HA SER 2 14.602 -14.033 -6.531 6 HB3 SER 2 HB3 SER 2 13.921 -11.964 -7.218 7 HG SER 2 HG SER 2 11.936 -11.919 -5.978 8 H GLU 3 H GLU 3 16.490 -13.621 -5.142 9 HA GLU 3 HA GLU 3 16.403 -15.115 -2.760 10 HB3 GLU 3 HB3 GLU 3 18.396 -14.873 -4.159 11 HG3 GLU 3 HG3 GLU 3 18.610 -12.013 -3.112 12 H ASN 4 H ASN 4 15.935 -11.684 -3.244 13 HA ASN 4 HA ASN 4 16.464 -10.970 -0.534 14 HB3 ASN 4 HB3 ASN 4 16.254 -9.546 -2.900 15 HD21 ASN 4 HD21 ASN 4 13.566 -10.004 -3.192 16 HD22 ASN 4 HD22 ASN 4 12.692 -8.568 -2.713 17 H PHE 5 H PHE 5 14.025 -12.867 -1.453 18 HA PHE 5 HA PHE 5 11.688 -11.709 -0.260 19 HB3 PHE 5 HB3 PHE 5 12.454 -14.643 -0.619 20 HD1 PHE 5 HD1 PHE 5 9.559 -12.197 -0.158 21 HD2 PHE 5 HD2 PHE 5 10.770 -16.307 -0.756 22 HE1 PHE 5 HE1 PHE 5 7.289 -12.959 0.396 23 HE2 PHE 5 HE2 PHE 5 8.458 -17.032 -0.308 24 HZ PHE 5 HZ PHE 5 6.711 -15.373 0.317 25 H GLN 6 H GLN 6 14.246 -13.867 0.908 26 HA GLN 6 HA GLN 6 12.991 -14.358 3.455 27 HB3 GLN 6 HB3 GLN 6 15.741 -14.990 2.290 28 HG3 GLN 6 HG3 GLN 6 15.713 -15.279 4.788 29 HE21 GLN 6 HE21 GLN 6 13.801 -14.994 6.062 30 HE22 GLN 6 HE22 GLN 6 12.746 -16.343 6.402 31 H THR 7 H THR 7 15.381 -11.973 2.392 32 HA THR 7 HA THR 7 16.534 -11.527 4.979 33 HB THR 7 HB THR 7 17.705 -10.641 3.178 34 HG1 THR 7 HG1 THR 7 18.061 -8.580 3.834 35 HG21 THR 7 HG21 THR 7 16.130 -10.375 1.457 36 HG22 THR 7 HG22 THR 7 16.891 -8.808 1.712 37 HG23 THR 7 HG23 THR 7 15.260 -9.088 2.321 38 H LEU 8 H LEU 8 13.645 -10.254 3.419 39 HA LEU 8 HA LEU 8 13.017 -8.175 5.211 40 HB3 LEU 8 HB3 LEU 8 10.716 -8.426 4.210 41 HG LEU 8 HG LEU 8 13.061 -8.667 2.275 42 HD11 LEU 8 HD11 LEU 8 11.141 -9.562 1.183 43 HD12 LEU 8 HD12 LEU 8 11.461 -7.931 0.546 44 HD13 LEU 8 HD13 LEU 8 10.134 -8.212 1.711 45 HD21 LEU 8 HD21 LEU 8 13.072 -6.613 3.577 46 HD22 LEU 8 HD22 LEU 8 11.364 -6.304 3.145 47 HD23 LEU 8 HD23 LEU 8 12.635 -6.272 1.902 48 H LEU 9 H LEU 9 11.860 -11.596 5.165 49 HA LEU 9 HA LEU 9 10.266 -11.657 7.416 50 HB3 LEU 9 HB3 LEU 9 11.338 -14.082 7.446 51 HG LEU 9 HG LEU 9 10.128 -14.937 5.657 52 HD11 LEU 9 HD11 LEU 9 7.878 -14.335 6.248 53 HD12 LEU 9 HD12 LEU 9 8.403 -12.771 6.920 54 HD13 LEU 9 HD13 LEU 9 8.859 -14.296 7.715 55 HD21 LEU 9 HD21 LEU 9 8.916 -13.639 4.020 56 HD22 LEU 9 HD22 LEU 9 10.671 -13.339 3.995 57 HD23 LEU 9 HD23 LEU 9 9.573 -12.144 4.720 58 H ASP 10 H ASP 10 13.782 -11.496 7.239 59 HA ASP 10 HA ASP 10 14.022 -12.220 10.095 60 HB3 ASP 10 HB3 ASP 10 16.321 -11.834 8.176 61 H ALA 11 H ALA 11 14.311 -9.537 7.990 62 HA ALA 11 HA ALA 11 15.947 -7.836 9.621 63 HB1 ALA 11 HB1 ALA 11 15.745 -7.546 7.246 64 HB2 ALA 11 HB2 ALA 11 13.987 -7.390 7.357 65 HB3 ALA 11 HB3 ALA 11 15.045 -6.113 8.032 66 H GLY 12 H GLY 12 12.709 -8.928 9.910 67 HA2 GLY 12 HA2 GLY 12 11.848 -8.357 12.218 68 HA3 GLY 12 HA3 GLY 12 11.954 -6.677 11.722 69 H LEU 13 H LEU 13 11.033 -8.220 8.897 70 HA LEU 13 HA LEU 13 8.406 -6.937 9.326 71 HB3 LEU 13 HB3 LEU 13 8.432 -6.623 6.920 72 HG LEU 13 HG LEU 13 9.990 -5.006 6.594 73 HD11 LEU 13 HD11 LEU 13 10.364 -5.014 9.604 74 HD12 LEU 13 HD12 LEU 13 8.763 -4.741 8.892 75 HD13 LEU 13 HD13 LEU 13 10.080 -3.662 8.486 76 HD21 LEU 13 HD21 LEU 13 12.213 -4.807 7.439 77 HD22 LEU 13 HD22 LEU 13 11.993 -6.360 6.599 78 HD23 LEU 13 HD23 LEU 13 12.042 -6.302 8.374 79 HA PRO 14 HA PRO 14 6.370 -10.783 9.003 80 HB3 PRO 14 HB3 PRO 14 4.529 -9.549 9.780 81 HG3 PRO 14 HG3 PRO 14 3.915 -7.456 8.800 82 HD3 PRO 14 HD3 PRO 14 6.142 -7.274 9.648 83 H GLN 15 H GLN 15 5.313 -12.293 7.542 84 HA GLN 15 HA GLN 15 6.496 -12.466 4.955 85 HB3 GLN 15 HB3 GLN 15 3.995 -13.847 6.040 86 HG3 GLN 15 HG3 GLN 15 5.569 -14.144 3.552 87 HE21 GLN 15 HE21 GLN 15 7.262 -15.654 3.602 88 HE22 GLN 15 HE22 GLN 15 7.114 -17.253 4.278 89 H LYS 16 H LYS 16 3.190 -11.466 5.970 90 HA LYS 16 HA LYS 16 2.124 -11.111 3.443 91 HB3 LYS 16 HB3 LYS 16 0.651 -11.097 5.311 92 HG3 LYS 16 HG3 LYS 16 2.145 -8.648 6.306 93 HD3 LYS 16 HD3 LYS 16 -0.409 -9.973 7.306 94 HE3 LYS 16 HE3 LYS 16 0.301 -7.937 9.095 95 HZ1 LYS 16 HZ1 LYS 16 0.897 -10.783 9.578 96 HZ2 LYS 16 HZ2 LYS 16 -0.640 -10.127 9.659 97 HZ3 LYS 16 HZ3 LYS 16 0.548 -9.644 10.678 98 H VAL 17 H VAL 17 4.498 -9.055 4.970 99 HA VAL 17 HA VAL 17 4.013 -6.883 3.029 100 HB VAL 17 HB VAL 17 6.137 -7.387 5.143 101 HG11 VAL 17 HG11 VAL 17 6.845 -5.024 4.648 102 HG12 VAL 17 HG12 VAL 17 7.297 -6.200 3.412 103 HG13 VAL 17 HG13 VAL 17 5.908 -5.106 3.154 104 HG21 VAL 17 HG21 VAL 17 3.700 -6.694 5.802 105 HG22 VAL 17 HG22 VAL 17 5.005 -5.657 6.380 106 HG23 VAL 17 HG23 VAL 17 4.058 -5.186 4.985 107 H ALA 18 H ALA 18 6.638 -9.359 3.590 108 HA ALA 18 HA ALA 18 8.051 -8.765 1.265 109 HB1 ALA 18 HB1 ALA 18 7.853 -11.465 2.668 110 HB2 ALA 18 HB2 ALA 18 9.146 -10.920 1.568 111 HB3 ALA 18 HB3 ALA 18 8.932 -10.119 3.112 112 H GLU 19 H GLU 19 5.313 -11.011 1.607 113 HA GLU 19 HA GLU 19 5.364 -12.268 -0.906 114 HB3 GLU 19 HB3 GLU 19 2.817 -12.327 -0.597 115 HG3 GLU 19 HG3 GLU 19 4.559 -13.271 1.732 116 H LYS 20 H LYS 20 4.359 -8.950 -0.110 117 HA LYS 20 HA LYS 20 3.435 -8.443 -2.876 118 HB3 LYS 20 HB3 LYS 20 2.909 -6.142 -1.730 119 HG3 LYS 20 HG3 LYS 20 1.270 -7.888 -2.487 120 HD3 LYS 20 HD3 LYS 20 1.190 -8.638 0.486 121 HE3 LYS 20 HE3 LYS 20 -0.327 -10.435 -0.572 122 HZ1 LYS 20 HZ1 LYS 20 -2.243 -9.017 -0.653 123 HZ2 LYS 20 HZ2 LYS 20 -1.350 -7.648 -0.668 124 HZ3 LYS 20 HZ3 LYS 20 -1.323 -8.630 0.650 125 H LEU 21 H LEU 21 6.401 -8.642 -1.585 126 HA LEU 21 HA LEU 21 7.448 -6.120 -2.773 127 HB3 LEU 21 HB3 LEU 21 8.691 -7.888 -0.628 128 HG LEU 21 HG LEU 21 10.514 -6.614 -1.272 129 HD11 LEU 21 HD11 LEU 21 9.700 -5.205 -3.020 130 HD12 LEU 21 HD12 LEU 21 10.302 -4.095 -1.785 131 HD13 LEU 21 HD13 LEU 21 8.566 -4.391 -1.933 132 HD21 LEU 21 HD21 LEU 21 10.805 -4.908 0.427 133 HD22 LEU 21 HD22 LEU 21 9.785 -6.157 1.141 134 HD23 LEU 21 HD23 LEU 21 9.041 -4.669 0.561 135 H ASP 22 H ASP 22 8.034 -9.618 -2.366 136 HA ASP 22 HA ASP 22 10.207 -9.993 -3.966 137 HB3 ASP 22 HB3 ASP 22 7.644 -11.612 -3.663 138 H GLU 23 H GLU 23 6.955 -9.427 -5.056 139 HA GLU 23 HA GLU 23 7.165 -10.017 -7.668 140 HB3 GLU 23 HB3 GLU 23 5.097 -10.089 -7.163 141 HG3 GLU 23 HG3 GLU 23 6.014 -7.820 -5.886 142 H ILE 24 H ILE 24 7.902 -7.133 -6.076 143 HA ILE 24 HA ILE 24 8.379 -5.418 -8.318 144 HB ILE 24 HB ILE 24 9.622 -5.194 -5.538 145 HG13 ILE 24 HG13 ILE 24 7.266 -5.519 -5.167 146 HG21 ILE 24 HG21 ILE 24 8.825 -3.056 -7.562 147 HG22 ILE 24 HG22 ILE 24 9.705 -2.806 -6.042 148 HG23 ILE 24 HG23 ILE 24 10.476 -3.674 -7.364 149 HD11 ILE 24 HD11 ILE 24 6.617 -3.599 -4.052 150 HD12 ILE 24 HD12 ILE 24 8.381 -3.467 -4.061 151 HD13 ILE 24 HD13 ILE 24 7.418 -2.512 -5.209 152 H TYR 25 H TYR 25 10.509 -7.559 -6.371 153 HA TYR 25 HA TYR 25 12.919 -6.851 -7.836 154 HB3 TYR 25 HB3 TYR 25 13.828 -8.810 -6.447 155 HD1 TYR 25 HD1 TYR 25 11.402 -7.001 -4.281 156 HD2 TYR 25 HD2 TYR 25 15.387 -7.088 -5.890 157 HE1 TYR 25 HE1 TYR 25 12.092 -5.248 -2.670 158 HE2 TYR 25 HE2 TYR 25 16.069 -5.322 -4.266 159 HH TYR 25 HH TYR 25 13.864 -4.036 -1.833 160 H VAL 26 H VAL 26 10.331 -8.685 -8.799 161 HA VAL 26 HA VAL 26 12.048 -10.418 -10.540 162 HB VAL 26 HB VAL 26 9.215 -10.717 -9.528 163 HG11 VAL 26 HG11 VAL 26 9.263 -12.994 -10.531 164 HG12 VAL 26 HG12 VAL 26 9.358 -11.734 -11.764 165 HG13 VAL 26 HG13 VAL 26 10.823 -12.609 -11.287 166 HG21 VAL 26 HG21 VAL 26 11.160 -11.174 -7.891 167 HG22 VAL 26 HG22 VAL 26 10.011 -12.450 -8.115 168 HG23 VAL 26 HG23 VAL 26 11.593 -12.532 -8.944 169 H ALA 27 H ALA 27 9.473 -7.965 -10.492 170 HA ALA 27 HA ALA 27 8.661 -8.214 -13.154 171 HB1 ALA 27 HB1 ALA 27 8.695 -5.812 -11.274 172 HB2 ALA 27 HB2 ALA 27 7.725 -5.922 -12.758 173 HB3 ALA 27 HB3 ALA 27 7.404 -7.029 -11.408 174 H GLY 28 H GLY 28 11.675 -6.906 -12.025 175 HA2 GLY 28 HA2 GLY 28 13.413 -5.992 -13.175 176 HA3 GLY 28 HA3 GLY 28 12.387 -5.669 -14.594 177 H LEU 29 H LEU 29 11.149 -4.780 -11.469 178 HA LEU 29 HA LEU 29 11.063 -1.941 -12.200 179 HB3 LEU 29 HB3 LEU 29 9.915 -1.945 -9.819 180 HG LEU 29 HG LEU 29 8.642 -3.340 -12.202 181 HD11 LEU 29 HD11 LEU 29 6.482 -2.837 -10.996 182 HD12 LEU 29 HD12 LEU 29 7.427 -2.425 -9.563 183 HD13 LEU 29 HD13 LEU 29 7.471 -4.079 -10.196 184 HD21 LEU 29 HD21 LEU 29 8.301 -0.510 -11.092 185 HD22 LEU 29 HD22 LEU 29 7.473 -1.192 -12.495 186 HD23 LEU 29 HD23 LEU 29 9.206 -0.925 -12.563 187 H VAL 30 H VAL 30 13.275 -3.935 -10.419 188 HA VAL 30 HA VAL 30 14.564 -1.481 -9.416 189 HB VAL 30 HB VAL 30 15.152 -2.744 -7.288 190 HG11 VAL 30 HG11 VAL 30 12.260 -1.807 -7.582 191 HG12 VAL 30 HG12 VAL 30 13.200 -1.870 -6.072 192 HG13 VAL 30 HG13 VAL 30 13.665 -0.744 -7.363 193 HG21 VAL 30 HG21 VAL 30 12.636 -4.332 -7.917 194 HG22 VAL 30 HG22 VAL 30 14.293 -4.962 -7.789 195 HG23 VAL 30 HG23 VAL 30 13.481 -4.300 -6.365 196 H ALA 31 H ALA 31 16.761 -1.824 -8.788 197 HA ALA 31 HA ALA 31 18.067 -3.980 -10.269 198 HB1 ALA 31 HB1 ALA 31 19.200 -1.389 -9.158 199 HB2 ALA 31 HB2 ALA 31 19.986 -2.465 -10.331 200 HB3 ALA 31 HB3 ALA 31 18.525 -1.570 -10.796 201 H HIS 32 H HIS 32 17.003 -4.560 -7.658 202 HA HIS 32 HA HIS 32 17.418 -5.771 -5.877 203 HB3 HIS 32 HB3 HIS 32 20.330 -6.062 -6.626 204 HD1 HIS 32 HD1 HIS 32 21.280 -8.457 -5.745 205 HD2 HIS 32 HD2 HIS 32 17.430 -7.368 -4.406 206 HE1 HIS 32 HE1 HIS 32 20.662 -10.064 -3.844 207 H SER 33 H SER 33 20.026 -3.366 -6.322 208 HA SER 33 HA SER 33 19.785 -2.653 -3.427 209 HB3 SER 33 HB3 SER 33 22.122 -2.170 -3.409 210 HG SER 33 HG SER 33 21.382 -4.447 -3.389 211 H ASP 34 H ASP 34 18.004 -1.676 -5.247 212 HA ASP 34 HA ASP 34 18.820 0.853 -6.444 213 HB3 ASP 34 HB3 ASP 34 15.932 0.420 -6.128 214 H LEU 35 H LEU 35 18.299 -0.105 -3.358 215 HA LEU 35 HA LEU 35 17.331 2.531 -2.367 216 HB3 LEU 35 HB3 LEU 35 16.331 1.407 -0.474 217 HG LEU 35 HG LEU 35 15.430 -0.070 -2.994 218 HD11 LEU 35 HD11 LEU 35 14.183 0.260 -0.239 219 HD12 LEU 35 HD12 LEU 35 14.774 -1.236 -0.993 220 HD13 LEU 35 HD13 LEU 35 13.360 -0.422 -1.665 221 HD21 LEU 35 HD21 LEU 35 15.172 2.383 -3.211 222 HD22 LEU 35 HD22 LEU 35 14.277 2.422 -1.666 223 HD23 LEU 35 HD23 LEU 35 13.618 1.572 -3.086 224 H ASP 36 H ASP 36 18.038 2.538 0.134 225 HA ASP 36 HA ASP 36 20.887 1.795 0.375 226 HB3 ASP 36 HB3 ASP 36 21.113 4.209 1.350 227 H GLU 37 H GLU 37 21.513 2.393 2.728 228 HA GLU 37 HA GLU 37 19.977 0.747 4.445 229 HB3 GLU 37 HB3 GLU 37 22.109 2.836 4.893 230 HG3 GLU 37 HG3 GLU 37 21.099 0.819 6.910 231 H ARG 38 H ARG 38 19.953 4.269 3.945 232 HA ARG 38 HA ARG 38 18.486 4.824 6.314 233 HB3 ARG 38 HB3 ARG 38 18.273 7.041 5.585 234 HG3 ARG 38 HG3 ARG 38 20.553 6.375 3.727 235 HD3 ARG 38 HD3 ARG 38 20.406 8.337 6.057 236 HE ARG 38 HE ARG 38 22.148 8.714 3.746 237 HH11 ARG 38 HH11 ARG 38 22.043 7.388 7.100 238 HH12 ARG 38 HH12 ARG 38 23.754 7.616 7.314 239 HH21 ARG 38 HH21 ARG 38 24.415 8.497 4.000 240 HH22 ARG 38 HH22 ARG 38 25.107 8.017 5.523 241 H ALA 39 H ALA 39 17.445 4.001 3.006 242 HA ALA 39 HA ALA 39 14.620 4.408 3.459 243 HB1 ALA 39 HB1 ALA 39 15.507 4.576 1.211 244 HB2 ALA 39 HB2 ALA 39 16.239 2.952 1.321 245 HB3 ALA 39 HB3 ALA 39 14.488 3.142 1.258 246 H ILE 40 H ILE 40 16.903 1.759 4.129 247 HA ILE 40 HA ILE 40 14.892 -0.309 4.541 248 HB ILE 40 HB ILE 40 17.686 -0.028 5.713 249 HG13 ILE 40 HG13 ILE 40 18.376 -1.624 4.047 250 HG21 ILE 40 HG21 ILE 40 16.436 -1.526 7.100 251 HG22 ILE 40 HG22 ILE 40 15.807 -2.400 5.698 252 HG23 ILE 40 HG23 ILE 40 17.545 -2.463 6.121 253 HD11 ILE 40 HD11 ILE 40 16.279 -2.718 3.413 254 HD12 ILE 40 HD12 ILE 40 15.727 -1.212 2.630 255 HD13 ILE 40 HD13 ILE 40 17.152 -2.071 2.020 256 H GLU 41 H GLU 41 16.649 2.006 6.662 257 HA GLU 41 HA GLU 41 15.703 1.020 9.084 258 HB3 GLU 41 HB3 GLU 41 16.215 3.987 8.751 259 HG3 GLU 41 HG3 GLU 41 17.797 3.617 10.561 260 H ALA 42 H ALA 42 14.326 3.652 7.081 261 HA ALA 42 HA ALA 42 12.049 4.053 8.844 262 HB1 ALA 42 HB1 ALA 42 12.940 5.850 7.434 263 HB2 ALA 42 HB2 ALA 42 12.493 4.940 5.974 264 HB3 ALA 42 HB3 ALA 42 11.235 5.528 7.103 265 H LEU 43 H LEU 43 12.781 1.509 6.813 266 HA LEU 43 HA LEU 43 9.976 0.601 6.679 267 HB3 LEU 43 HB3 LEU 43 10.997 -0.924 4.823 268 HG LEU 43 HG LEU 43 11.000 2.047 4.294 269 HD11 LEU 43 HD11 LEU 43 10.316 1.345 2.007 270 HD12 LEU 43 HD12 LEU 43 10.502 -0.353 2.488 271 HD13 LEU 43 HD13 LEU 43 11.916 0.702 2.470 272 HD21 LEU 43 HD21 LEU 43 8.569 1.657 3.522 273 HD22 LEU 43 HD22 LEU 43 8.840 1.691 5.256 274 HD23 LEU 43 HD23 LEU 43 8.644 0.127 4.453 275 H LYS 44 H LYS 44 12.024 0.385 8.985 276 HA LYS 44 HA LYS 44 11.565 -2.526 9.340 277 HB3 LYS 44 HB3 LYS 44 12.732 -2.156 11.530 278 HG3 LYS 44 HG3 LYS 44 14.699 -1.577 9.318 279 HD3 LYS 44 HD3 LYS 44 14.424 -3.807 11.400 280 HE3 LYS 44 HE3 LYS 44 16.866 -3.125 9.727 281 HZ1 LYS 44 HZ1 LYS 44 17.105 -4.564 11.754 282 HZ2 LYS 44 HZ2 LYS 44 17.596 -5.222 10.334 283 HZ3 LYS 44 HZ3 LYS 44 16.158 -5.689 11.015 284 H GLU 45 H GLU 45 10.902 0.667 11.001 285 HA GLU 45 HA GLU 45 8.783 -0.757 12.494 286 HB3 GLU 45 HB3 GLU 45 10.032 0.585 13.934 287 HG3 GLU 45 HG3 GLU 45 9.688 2.928 12.037 288 H PHE 46 H PHE 46 7.363 -1.238 10.697 289 HA PHE 46 HA PHE 46 5.490 1.036 10.540 290 HB3 PHE 46 HB3 PHE 46 6.259 0.871 8.332 291 HD1 PHE 46 HD1 PHE 46 5.060 -2.688 8.965 292 HD2 PHE 46 HD2 PHE 46 7.909 -0.056 7.059 293 HE1 PHE 46 HE1 PHE 46 6.136 -4.609 7.935 294 HE2 PHE 46 HE2 PHE 46 8.949 -2.035 5.952 295 HZ PHE 46 HZ PHE 46 8.025 -4.287 6.346 296 H ASN 47 H ASN 47 3.265 0.212 10.214 297 HA ASN 47 HA ASN 47 2.565 -2.142 11.850 298 HB3 ASN 47 HB3 ASN 47 1.300 -0.110 12.234 299 HD21 ASN 47 HD21 ASN 47 -1.235 -0.160 10.133 300 HD22 ASN 47 HD22 ASN 47 -0.685 1.065 9.013 301 H GLU 48 H GLU 48 0.841 -3.428 10.916 302 HA GLU 48 HA GLU 48 1.460 -4.963 8.769 303 HB3 GLU 48 HB3 GLU 48 -1.265 -4.332 9.945 304 HG3 GLU 48 HG3 GLU 48 -0.459 -6.328 7.843 305 H ASP 49 H ASP 49 -0.742 -2.079 8.558 306 HA ASP 49 HA ASP 49 -1.251 -2.606 5.724 307 HB3 ASP 49 HB3 ASP 49 -1.719 0.073 6.915 308 H GLY 50 H GLY 50 1.086 -0.902 7.565 309 HA2 GLY 50 HA2 GLY 50 1.366 1.401 6.126 310 HA3 GLY 50 HA3 GLY 50 2.618 0.741 7.191 311 H ALA 51 H ALA 51 3.695 -1.330 6.018 312 HA ALA 51 HA ALA 51 5.244 -0.250 3.879 313 HB1 ALA 51 HB1 ALA 51 6.349 -2.343 3.884 314 HB2 ALA 51 HB2 ALA 51 5.794 -2.091 5.557 315 HB3 ALA 51 HB3 ALA 51 4.925 -3.200 4.499 316 H LEU 52 H LEU 52 2.412 -2.477 3.901 317 HA LEU 52 HA LEU 52 2.369 -3.126 1.154 318 HB3 LEU 52 HB3 LEU 52 -0.244 -3.137 1.549 319 HG LEU 52 HG LEU 52 -0.336 -5.132 2.882 320 HD11 LEU 52 HD11 LEU 52 0.339 -5.309 0.504 321 HD12 LEU 52 HD12 LEU 52 1.005 -6.609 1.516 322 HD13 LEU 52 HD13 LEU 52 2.049 -5.281 0.991 323 HD21 LEU 52 HD21 LEU 52 1.499 -6.103 4.045 324 HD22 LEU 52 HD22 LEU 52 1.457 -4.382 4.483 325 HD23 LEU 52 HD23 LEU 52 2.655 -4.955 3.315 326 H ALA 53 H ALA 53 1.414 -0.125 2.740 327 HA ALA 53 HA ALA 53 -0.181 0.940 0.577 328 HB1 ALA 53 HB1 ALA 53 -0.130 2.961 1.920 329 HB2 ALA 53 HB2 ALA 53 -0.193 1.648 3.092 330 HB3 ALA 53 HB3 ALA 53 1.330 2.476 2.760 331 H VAL 54 H VAL 54 3.157 1.091 1.724 332 HA VAL 54 HA VAL 54 3.973 3.176 -0.108 333 HB VAL 54 HB VAL 54 5.751 1.337 1.565 334 HG11 VAL 54 HG11 VAL 54 7.280 3.144 1.567 335 HG12 VAL 54 HG12 VAL 54 6.695 3.003 -0.109 336 HG13 VAL 54 HG13 VAL 54 6.038 4.268 0.951 337 HG21 VAL 54 HG21 VAL 54 3.921 3.555 2.496 338 HG22 VAL 54 HG22 VAL 54 4.497 2.096 3.330 339 HG23 VAL 54 HG23 VAL 54 5.555 3.463 3.207 340 H LEU 55 H LEU 55 4.478 -0.332 0.102 341 HA LEU 55 HA LEU 55 6.047 -0.634 -2.246 342 HB3 LEU 55 HB3 LEU 55 5.140 -2.978 -2.218 343 HG LEU 55 HG LEU 55 5.892 -2.164 0.613 344 HD11 LEU 55 HD11 LEU 55 6.769 -4.427 0.730 345 HD12 LEU 55 HD12 LEU 55 6.303 -4.722 -0.963 346 HD13 LEU 55 HD13 LEU 55 5.065 -4.459 0.278 347 HD21 LEU 55 HD21 LEU 55 8.269 -2.654 -0.174 348 HD22 LEU 55 HD22 LEU 55 7.569 -1.120 -0.653 349 HD23 LEU 55 HD23 LEU 55 7.646 -2.444 -1.832 350 H GLN 56 H GLN 56 2.526 -0.246 -1.833 351 HA GLN 56 HA GLN 56 1.895 -1.292 -4.384 352 HB3 GLN 56 HB3 GLN 56 0.411 0.719 -2.631 353 HG3 GLN 56 HG3 GLN 56 -0.598 1.018 -4.782 354 HE21 GLN 56 HE21 GLN 56 0.232 -2.461 -4.343 355 HE22 GLN 56 HE22 GLN 56 0.173 -2.644 -6.077 356 H GLN 57 H GLN 57 1.828 2.013 -3.455 357 HA GLN 57 HA GLN 57 1.760 3.273 -5.947 358 HB3 GLN 57 HB3 GLN 57 2.766 5.254 -4.883 359 HG3 GLN 57 HG3 GLN 57 1.150 3.870 -2.707 360 HE21 GLN 57 HE21 GLN 57 0.415 5.320 -1.115 361 HE22 GLN 57 HE22 GLN 57 0.555 7.053 -1.237 362 H PHE 58 H PHE 58 4.701 2.166 -4.220 363 HA PHE 58 HA PHE 58 6.582 3.286 -5.964 364 HB3 PHE 58 HB3 PHE 58 6.738 0.782 -4.293 365 HD1 PHE 58 HD1 PHE 58 8.997 3.760 -4.329 366 HD2 PHE 58 HD2 PHE 58 8.465 -0.317 -5.671 367 HE1 PHE 58 HE1 PHE 58 11.419 3.588 -4.820 368 HE2 PHE 58 HE2 PHE 58 10.879 -0.468 -6.148 369 HZ PHE 58 HZ PHE 58 12.370 1.446 -5.662 370 H LYS 59 H LYS 59 4.738 0.301 -6.308 371 HA LYS 59 HA LYS 59 6.121 -0.798 -8.626 372 HB3 LYS 59 HB3 LYS 59 3.996 -2.083 -8.974 373 HG3 LYS 59 HG3 LYS 59 5.265 -1.972 -6.241 374 HD3 LYS 59 HD3 LYS 59 3.143 -3.966 -7.114 375 HE3 LYS 59 HE3 LYS 59 4.522 -3.345 -4.458 376 HZ1 LYS 59 HZ1 LYS 59 2.335 -4.370 -4.128 377 HZ2 LYS 59 HZ2 LYS 59 3.556 -5.460 -3.829 378 HZ3 LYS 59 HZ3 LYS 59 2.766 -5.606 -5.197 379 H ASP 60 H ASP 60 4.009 1.833 -8.299 380 HA ASP 60 HA ASP 60 3.476 1.972 -11.232 381 HB3 ASP 60 HB3 ASP 60 1.653 3.016 -9.034 382 H SER 61 H SER 61 5.704 3.113 -9.499 383 HA SER 61 HA SER 61 5.174 6.030 -9.559 384 HB3 SER 61 HB3 SER 61 7.434 6.158 -8.550 385 HG SER 61 HG SER 61 5.451 4.438 -7.460 386 H ASP 62 H ASP 62 6.688 7.412 -10.639 387 HA ASP 62 HA ASP 62 7.254 6.505 -13.357 388 HB3 ASP 62 HB3 ASP 62 7.778 9.198 -12.033 389 H LEU 63 H LEU 63 8.792 4.918 -12.970 390 HA LEU 63 HA LEU 63 11.329 5.665 -11.621 391 HB3 LEU 63 HB3 LEU 63 11.643 3.183 -11.537 392 HG LEU 63 HG LEU 63 8.953 3.935 -10.348 393 HD11 LEU 63 HD11 LEU 63 9.550 1.569 -10.268 394 HD12 LEU 63 HD12 LEU 63 9.554 2.287 -8.647 395 HD13 LEU 63 HD13 LEU 63 11.095 1.952 -9.477 396 HD21 LEU 63 HD21 LEU 63 10.379 5.685 -9.593 397 HD22 LEU 63 HD22 LEU 63 11.733 4.567 -9.303 398 HD23 LEU 63 HD23 LEU 63 10.278 4.528 -8.270 399 H SER 64 H SER 64 10.319 5.592 -14.781 400 HA SER 64 HA SER 64 11.998 3.775 -16.014 401 HB3 SER 64 HB3 SER 64 11.601 5.032 -18.097 402 HG SER 64 HG SER 64 9.204 5.086 -16.593 403 H HIS 65 H HIS 65 12.936 7.170 -15.129 404 HA HIS 65 HA HIS 65 15.653 6.175 -15.350 405 HB3 HIS 65 HB3 HIS 65 15.239 8.905 -16.556 406 HD1 HIS 65 HD1 HIS 65 17.007 5.969 -18.255 407 HD2 HIS 65 HD2 HIS 65 17.899 9.108 -15.552 408 HE1 HIS 65 HE1 HIS 65 19.501 5.931 -17.906 409 H VAL 66 H VAL 66 14.114 6.466 -13.087 410 HA VAL 66 HA VAL 66 14.906 8.855 -11.653 411 HB VAL 66 HB VAL 66 13.965 6.074 -10.882 412 HG11 VAL 66 HG11 VAL 66 14.698 8.301 -8.925 413 HG12 VAL 66 HG12 VAL 66 13.673 6.911 -8.532 414 HG13 VAL 66 HG13 VAL 66 15.352 6.636 -9.001 415 HG21 VAL 66 HG21 VAL 66 11.973 7.313 -10.202 416 HG22 VAL 66 HG22 VAL 66 12.782 8.860 -10.510 417 HG23 VAL 66 HG23 VAL 66 12.397 7.770 -11.856 418 H GLN 67 H GLN 67 16.764 9.167 -10.365 419 HA GLN 67 HA GLN 67 19.083 7.456 -11.092 420 HB3 GLN 67 HB3 GLN 67 19.354 9.938 -9.408 421 HG3 GLN 67 HG3 GLN 67 21.166 10.393 -11.099 422 HE21 GLN 67 HE21 GLN 67 22.011 7.170 -11.235 423 HE22 GLN 67 HE22 GLN 67 22.624 6.933 -9.597 424 H ASN 68 H ASN 68 16.907 8.067 -8.437 425 HA ASN 68 HA ASN 68 18.390 6.291 -6.612 426 HB3 ASN 68 HB3 ASN 68 19.274 8.465 -6.118 427 HD21 ASN 68 HD21 ASN 68 18.436 10.362 -4.410 428 HD22 ASN 68 HD22 ASN 68 17.298 11.442 -5.271 429 H LYS 69 H LYS 69 16.629 4.842 -7.076 430 HA LYS 69 HA LYS 69 13.874 5.324 -6.562 431 HB3 LYS 69 HB3 LYS 69 14.248 2.784 -5.548 432 HG3 LYS 69 HG3 LYS 69 12.825 3.394 -7.583 433 HD3 LYS 69 HD3 LYS 69 15.540 3.010 -8.842 434 HE3 LYS 69 HE3 LYS 69 13.212 2.496 -10.621 435 HZ1 LYS 69 HZ1 LYS 69 15.560 2.511 -11.386 436 HZ2 LYS 69 HZ2 LYS 69 14.907 0.980 -11.538 437 HZ3 LYS 69 HZ3 LYS 69 15.883 1.302 -10.309 438 H SER 70 H SER 70 16.546 5.121 -4.204 439 HA SER 70 HA SER 70 14.938 4.487 -1.966 440 HB3 SER 70 HB3 SER 70 17.555 4.561 -2.269 441 HG SER 70 HG SER 70 17.918 6.510 -0.675 442 H ALA 71 H ALA 71 15.679 7.620 -3.505 443 HA ALA 71 HA ALA 71 14.543 9.276 -1.464 444 HB1 ALA 71 HB1 ALA 71 16.080 10.157 -3.141 445 HB2 ALA 71 HB2 ALA 71 14.951 9.747 -4.455 446 HB3 ALA 71 HB3 ALA 71 14.526 10.995 -3.269 447 H PHE 72 H PHE 72 13.229 7.774 -4.436 448 HA PHE 72 HA PHE 72 10.655 8.901 -4.298 449 HB3 PHE 72 HB3 PHE 72 10.805 6.096 -5.294 450 HD1 PHE 72 HD1 PHE 72 8.311 7.658 -4.924 451 HD2 PHE 72 HD2 PHE 72 11.206 7.830 -8.129 452 HE1 PHE 72 HE1 PHE 72 6.589 8.558 -6.461 453 HE2 PHE 72 HE2 PHE 72 9.466 8.694 -9.641 454 HZ PHE 72 HZ PHE 72 7.159 9.098 -8.807 455 H LEU 73 H LEU 73 11.929 5.802 -2.915 456 HA LEU 73 HA LEU 73 9.402 4.995 -1.890 457 HB3 LEU 73 HB3 LEU 73 12.198 4.138 -1.040 458 HG LEU 73 HG LEU 73 10.412 3.155 0.398 459 HD11 LEU 73 HD11 LEU 73 8.764 1.614 -0.479 460 HD12 LEU 73 HD12 LEU 73 9.323 1.908 -2.146 461 HD13 LEU 73 HD13 LEU 73 8.527 3.198 -1.234 462 HD21 LEU 73 HD21 LEU 73 11.014 0.744 -0.090 463 HD22 LEU 73 HD22 LEU 73 12.415 1.837 -0.101 464 HD23 LEU 73 HD23 LEU 73 11.698 1.275 -1.626 465 H CYS 74 H CYS 74 12.187 6.630 -0.384 466 HA CYS 74 HA CYS 74 11.027 6.834 2.235 467 HB3 CYS 74 HB3 CYS 74 13.159 8.691 1.145 468 HG CYS 74 HG CYS 74 12.794 6.848 3.879 469 H GLY 75 H GLY 75 10.245 8.408 -0.707 470 HA2 GLY 75 HA2 GLY 75 9.182 10.889 0.450 471 HA3 GLY 75 HA3 GLY 75 9.004 10.283 -1.214 472 H VAL 76 H VAL 76 7.775 8.050 -1.287 473 HA VAL 76 HA VAL 76 5.201 8.826 -0.683 474 HB VAL 76 HB VAL 76 5.606 7.449 -2.534 475 HG11 VAL 76 HG11 VAL 76 6.741 5.411 -0.707 476 HG12 VAL 76 HG12 VAL 76 5.996 4.952 -2.263 477 HG13 VAL 76 HG13 VAL 76 7.372 6.076 -2.212 478 HG21 VAL 76 HG21 VAL 76 3.990 5.704 -0.690 479 HG22 VAL 76 HG22 VAL 76 3.402 7.281 -1.285 480 HG23 VAL 76 HG23 VAL 76 3.804 6.004 -2.428 481 H MET 77 H MET 77 7.236 6.755 1.353 482 HA MET 77 HA MET 77 5.267 5.814 3.109 483 HB3 MET 77 HB3 MET 77 7.587 5.032 3.129 484 HG3 MET 77 HG3 MET 77 8.095 7.744 4.406 485 HE1 MET 77 HE1 MET 77 9.315 3.962 4.580 486 HE2 MET 77 HE2 MET 77 10.019 4.620 3.075 487 HE3 MET 77 HE3 MET 77 11.067 4.219 4.453 488 H LYS 78 H LYS 78 6.217 9.091 2.682 489 HA LYS 78 HA LYS 78 5.589 9.883 5.466 490 HB3 LYS 78 HB3 LYS 78 7.057 11.314 3.216 491 HG3 LYS 78 HG3 LYS 78 6.735 11.911 6.142 492 HD3 LYS 78 HD3 LYS 78 9.032 11.241 6.120 493 HE3 LYS 78 HE3 LYS 78 9.609 13.162 3.829 494 HZ1 LYS 78 HZ1 LYS 78 11.448 12.482 5.228 495 HZ2 LYS 78 HZ2 LYS 78 11.644 11.837 3.703 496 HZ3 LYS 78 HZ3 LYS 78 11.136 10.905 4.973 497 H THR 79 H THR 79 3.769 9.348 2.934 498 HA THR 79 HA THR 79 1.979 11.729 3.315 499 HB THR 79 HB THR 79 2.577 10.051 0.823 500 HG1 THR 79 HG1 THR 79 3.503 12.002 0.092 501 HG21 THR 79 HG21 THR 79 0.695 12.441 1.126 502 HG22 THR 79 HG22 THR 79 0.191 10.767 0.904 503 HG23 THR 79 HG23 THR 79 1.103 11.582 -0.375 504 H TYR 80 H TYR 80 2.054 8.191 2.374 505 HA TYR 80 HA TYR 80 -0.672 7.856 2.398 506 HB3 TYR 80 HB3 TYR 80 1.255 6.295 1.795 507 HD1 TYR 80 HD1 TYR 80 3.244 6.234 3.227 508 HD2 TYR 80 HD2 TYR 80 -0.431 4.440 4.520 509 HE1 TYR 80 HE1 TYR 80 4.465 5.107 5.113 510 HE2 TYR 80 HE2 TYR 80 0.709 3.346 6.369 511 HH TYR 80 HH TYR 80 2.695 3.159 7.550 512 H ARG 81 H ARG 81 1.450 7.863 5.186 513 HA ARG 81 HA ARG 81 -0.085 6.939 7.256 514 HB3 ARG 81 HB3 ARG 81 1.182 8.624 8.673 515 HG3 ARG 81 HG3 ARG 81 2.726 7.036 6.582 516 HD3 ARG 81 HD3 ARG 81 3.718 8.412 9.101 517 HE ARG 81 HE ARG 81 5.467 7.042 7.201 518 HH11 ARG 81 HH11 ARG 81 3.781 6.761 10.393 519 HH12 ARG 81 HH12 ARG 81 4.735 5.376 10.841 520 HH21 ARG 81 HH21 ARG 81 6.932 5.469 8.136 521 HH22 ARG 81 HH22 ARG 81 6.487 4.677 9.614 522 H GLN 82 H GLN 82 -0.780 9.820 5.396 523 HA GLN 82 HA GLN 82 -2.286 11.289 7.272 524 HB3 GLN 82 HB3 GLN 82 -1.300 12.016 5.090 525 HG3 GLN 82 HG3 GLN 82 -3.919 10.974 3.962 526 HE21 GLN 82 HE21 GLN 82 -1.426 13.335 3.701 527 HE22 GLN 82 HE22 GLN 82 -1.705 13.765 2.024 528 H ARG 83 H ARG 83 -3.164 8.400 5.336 529 HA ARG 83 HA ARG 83 -5.930 8.543 6.418 530 HB3 ARG 83 HB3 ARG 83 -5.927 8.021 4.120 531 HG3 ARG 83 HG3 ARG 83 -4.962 5.501 3.679 532 HD3 ARG 83 HD3 ARG 83 -3.015 6.668 2.467 533 HE ARG 83 HE ARG 83 -5.368 6.241 1.583 534 HH11 ARG 83 HH11 ARG 83 -3.908 9.574 1.341 535 HH12 ARG 83 HH12 ARG 83 -4.918 9.895 -0.016 536 HH21 ARG 83 HH21 ARG 83 -6.911 7.094 0.230 537 HH22 ARG 83 HH22 ARG 83 -6.649 8.587 -0.607 538 H GLU 84 H GLU 84 -3.148 7.713 7.848 539 HA GLU 84 HA GLU 84 -4.145 5.123 8.974 540 HB3 GLU 84 HB3 GLU 84 -1.758 4.794 9.636 541 HG3 GLU 84 HG3 GLU 84 -0.839 4.788 7.151 542 H LYS 85 H LYS 85 -2.270 8.115 9.906 543 HA LYS 85 HA LYS 85 -3.924 8.416 12.229 544 HB3 LYS 85 HB3 LYS 85 -2.583 6.681 13.172 545 HG3 LYS 85 HG3 LYS 85 -0.048 8.332 12.836 546 HD3 LYS 85 HD3 LYS 85 -0.648 5.486 13.768 547 HE3 LYS 85 HE3 LYS 85 1.620 5.656 12.792 548 HZ1 LYS 85 HZ1 LYS 85 2.250 7.855 13.323 549 HZ2 LYS 85 HZ2 LYS 85 3.245 6.873 14.173 550 HZ3 LYS 85 HZ3 LYS 85 2.015 7.654 14.944 551 H GLN 86 H GLN 86 -3.197 10.248 13.589 552 HA GLN 86 HA GLN 86 -2.511 12.567 11.981 553 HB3 GLN 86 HB3 GLN 86 -4.217 12.715 13.718 554 HG3 GLN 86 HG3 GLN 86 -2.194 11.349 15.452 555 HE21 GLN 86 HE21 GLN 86 -1.103 12.995 16.600 556 HE22 GLN 86 HE22 GLN 86 -1.938 14.121 17.683 557 H GLY 87 H GLY 87 -0.389 11.230 11.463 558 HA2 GLY 87 HA2 GLY 87 1.792 12.325 13.175 559 HA3 GLY 87 HA3 GLY 87 1.674 10.581 12.855 560 H THR 88 H THR 88 0.824 13.214 10.490 561 HA THR 88 HA THR 88 3.466 13.000 9.338 562 HB THR 88 HB THR 88 2.106 10.997 8.591 563 HG1 THR 88 HG1 THR 88 3.972 11.699 7.566 564 HG21 THR 88 HG21 THR 88 -0.040 11.802 8.102 565 HG22 THR 88 HG22 THR 88 0.710 11.388 6.535 566 HG23 THR 88 HG23 THR 88 0.556 13.065 7.024 567 H LYS 89 H LYS 89 2.891 14.065 6.886 568 HA LYS 89 HA LYS 89 2.232 16.890 7.596 569 HB3 LYS 89 HB3 LYS 89 4.440 16.663 6.566 570 HG3 LYS 89 HG3 LYS 89 2.958 15.177 4.376 571 HD3 LYS 89 HD3 LYS 89 3.974 17.003 3.161 572 HE3 LYS 89 HE3 LYS 89 6.525 16.252 4.630 573 HZ1 LYS 89 HZ1 LYS 89 6.192 17.381 1.930 574 HZ2 LYS 89 HZ2 LYS 89 7.198 16.193 2.409 575 HZ3 LYS 89 HZ3 LYS 89 7.506 17.766 2.845 576 H VAL 90 H VAL 90 1.126 18.109 5.825 577 HA VAL 90 HA VAL 90 -1.078 16.667 4.533 578 HB VAL 90 HB VAL 90 -1.683 19.065 3.865 579 HG11 VAL 90 HG11 VAL 90 -2.909 17.732 5.509 580 HG12 VAL 90 HG12 VAL 90 -1.793 18.226 6.791 581 HG13 VAL 90 HG13 VAL 90 -2.854 19.427 5.976 582 HG21 VAL 90 HG21 VAL 90 0.089 19.830 6.252 583 HG22 VAL 90 HG22 VAL 90 0.457 20.219 4.552 584 HG23 VAL 90 HG23 VAL 90 -0.982 20.886 5.308 585 H ALA 91 H ALA 91 0.316 15.503 3.329 586 HA ALA 91 HA ALA 91 1.480 16.924 0.936 587 HB1 ALA 91 HB1 ALA 91 3.087 15.352 1.554 588 HB2 ALA 91 HB2 ALA 91 1.891 14.118 2.010 589 HB3 ALA 91 HB3 ALA 91 2.198 14.504 0.302 590 H ASP 92 H ASP 92 0.898 15.983 -1.173 591 HA ASP 92 HA ASP 92 -2.018 15.625 -1.408 592 HB3 ASP 92 HB3 ASP 92 -1.727 16.004 -3.723 593 H SER 93 H SER 93 -2.980 13.634 -2.313 594 HA SER 93 HA SER 93 -1.593 12.021 -3.929 595 HB3 SER 93 HB3 SER 93 -0.388 10.925 -2.184 596 HG SER 93 HG SER 93 -2.146 11.525 -0.549 597 H SER 94 H SER 94 -3.026 10.035 -4.560 598 HA SER 94 HA SER 94 -5.760 11.095 -4.636 599 HB3 SER 94 HB3 SER 94 -4.378 11.860 -6.386 600 HG SER 94 HG SER 94 -3.192 10.318 -7.694 601 H LYS 95 H LYS 95 -6.389 9.359 -3.048 602 HA LYS 95 HA LYS 95 -7.019 6.825 -4.442 603 HB3 LYS 95 HB3 LYS 95 -6.142 5.969 -1.904 604 HG3 LYS 95 HG3 LYS 95 -3.929 5.547 -3.482 605 HD3 LYS 95 HD3 LYS 95 -6.576 4.049 -3.320 606 HE3 LYS 95 HE3 LYS 95 -3.957 3.325 -4.681 607 HZ1 LYS 95 HZ1 LYS 95 -6.139 1.476 -3.949 608 HZ2 LYS 95 HZ2 LYS 95 -4.632 1.484 -3.279 609 HZ3 LYS 95 HZ3 LYS 95 -4.848 1.145 -4.889 610 H GLY 96 H GLY 96 -8.641 5.549 -3.413 611 HA2 GLY 96 HA2 GLY 96 -10.334 5.087 -1.905 612 HA3 GLY 96 HA3 GLY 96 -9.855 6.448 -0.922 613 HA PRO 97 HA PRO 97 -12.494 8.126 -4.680 614 HB3 PRO 97 HB3 PRO 97 -12.876 6.515 -6.270 615 HG3 PRO 97 HG3 PRO 97 -12.872 4.213 -5.750 616 HD3 PRO 97 HD3 PRO 97 -10.915 5.094 -4.737 617 H ASP 98 H ASP 98 -15.087 8.059 -5.023 618 HA ASP 98 HA ASP 98 -16.656 8.624 -2.693 619 HB3 ASP 98 HB3 ASP 98 -18.397 8.764 -4.430 620 H GLU 99 H GLU 99 -18.719 7.145 -3.807 621 HA GLU 99 HA GLU 99 -19.914 5.340 -3.849 622 HB3 GLU 99 HB3 GLU 99 -18.385 5.564 -5.828 623 HG3 GLU 99 HG3 GLU 99 -17.112 3.078 -4.691 624 H ALA 100 H ALA 100 -20.738 3.463 -2.960 625 HA ALA 100 HA ALA 100 -19.123 1.731 -1.279 626 HB1 ALA 100 HB1 ALA 100 -21.103 3.712 -0.085 627 HB2 ALA 100 HB2 ALA 100 -20.418 2.318 0.770 628 HB3 ALA 100 HB3 ALA 100 -19.366 3.643 0.226 629 H LYS 101 H LYS 101 -19.981 -0.188 -1.733 630 HA LYS 101 HA LYS 101 -22.737 -0.452 -2.767 631 HB3 LYS 101 HB3 LYS 101 -22.052 -2.942 -2.835 632 HG3 LYS 101 HG3 LYS 101 -20.642 -0.754 -4.326 633 HD3 LYS 101 HD3 LYS 101 -20.667 -3.323 -5.718 634 HE3 LYS 101 HE3 LYS 101 -18.457 -2.768 -6.401 635 HZ1 LYS 101 HZ1 LYS 101 -18.636 -0.525 -7.113 636 HZ2 LYS 101 HZ2 LYS 101 -19.577 -0.098 -5.881 637 HZ3 LYS 101 HZ3 LYS 101 -20.222 -1.033 -7.072 638 H ILE 102 H ILE 102 -24.374 -1.596 -1.779 639 HA ILE 102 HA ILE 102 -24.655 -1.532 1.028 640 HB ILE 102 HB ILE 102 -26.241 -3.080 -1.067 641 HG13 ILE 102 HG13 ILE 102 -26.489 -0.287 0.118 642 HG21 ILE 102 HG21 ILE 102 -26.940 -2.351 1.795 643 HG22 ILE 102 HG22 ILE 102 -28.009 -3.171 0.621 644 HG23 ILE 102 HG23 ILE 102 -26.583 -3.999 1.209 645 HD11 ILE 102 HD11 ILE 102 -26.861 -1.446 -2.673 646 HD12 ILE 102 HD12 ILE 102 -27.310 0.212 -2.221 647 HD13 ILE 102 HD13 ILE 102 -25.611 -0.274 -2.175 648 H LYS 103 H LYS 103 -24.675 -4.572 -0.900 649 HA LYS 103 HA LYS 103 -24.000 -6.645 -0.505 650 HB3 LYS 103 HB3 LYS 103 -21.582 -6.875 0.357 651 HG3 LYS 103 HG3 LYS 103 -20.579 -5.695 -1.589 652 HD3 LYS 103 HD3 LYS 103 -23.088 -7.147 -2.514 653 HE3 LYS 103 HE3 LYS 103 -21.610 -8.204 -4.106 654 HZ1 LYS 103 HZ1 LYS 103 -20.883 -6.372 -5.389 655 HZ2 LYS 103 HZ2 LYS 103 -20.946 -5.340 -4.113 656 HZ3 LYS 103 HZ3 LYS 103 -22.336 -5.959 -4.715 657 H ALA 104 H ALA 104 -24.799 -5.006 2.361 658 HA ALA 104 HA ALA 104 -24.760 -7.640 3.730 659 HB1 ALA 104 HB1 ALA 104 -24.256 -6.418 5.832 660 HB2 ALA 104 HB2 ALA 104 -22.985 -6.189 4.617 661 HB3 ALA 104 HB3 ALA 104 -24.174 -4.904 4.917 662 H LEU 105 H LEU 105 -26.813 -5.491 2.506 663 HA LEU 105 HA LEU 105 -28.795 -5.590 4.730 664 HB3 LEU 105 HB3 LEU 105 -29.057 -3.379 2.787 665 HG LEU 105 HG LEU 105 -28.724 -3.317 5.818 666 HD11 LEU 105 HD11 LEU 105 -29.428 -0.935 5.527 667 HD12 LEU 105 HD12 LEU 105 -29.391 -1.149 3.766 668 HD13 LEU 105 HD13 LEU 105 -27.894 -1.290 4.711 669 HD21 LEU 105 HD21 LEU 105 -30.890 -4.306 5.290 670 HD22 LEU 105 HD22 LEU 105 -31.228 -3.024 4.091 671 HD23 LEU 105 HD23 LEU 105 -31.133 -2.646 5.822 672 H LEU 106 H LEU 106 -31.109 -5.085 3.625 673 HA LEU 106 HA LEU 106 -31.417 -6.669 1.177 674 HB3 LEU 106 HB3 LEU 106 -33.222 -7.304 3.490 675 HG LEU 106 HG LEU 106 -33.342 -8.454 1.194 676 HD11 LEU 106 HD11 LEU 106 -30.730 -9.698 2.220 677 HD12 LEU 106 HD12 LEU 106 -30.935 -8.747 0.742 678 HD13 LEU 106 HD13 LEU 106 -31.692 -10.331 0.863 679 HD21 LEU 106 HD21 LEU 106 -33.691 -10.697 2.202 680 HD22 LEU 106 HD22 LEU 106 -34.388 -9.410 3.195 681 HD23 LEU 106 HD23 LEU 106 -32.852 -10.168 3.679 682 H GLU 107 H GLU 107 -33.482 -6.392 0.270 683 HA GLU 107 HA GLU 107 -34.766 -3.805 0.887 684 HB3 GLU 107 HB3 GLU 107 -34.201 -3.882 -1.357 685 HG3 GLU 107 HG3 GLU 107 -35.058 -5.788 -2.888 686 H ARG 108 H ARG 108 -37.326 -3.969 0.125 687 HA ARG 108 HA ARG 108 -38.640 -6.205 1.424 688 HB3 ARG 108 HB3 ARG 108 -39.221 -3.357 2.360 689 HG3 ARG 108 HG3 ARG 108 -39.709 -6.116 3.576 690 HD3 ARG 108 HD3 ARG 108 -38.940 -4.336 5.182 691 HE ARG 108 HE ARG 108 -41.174 -2.889 4.027 692 HH11 ARG 108 HH11 ARG 108 -39.282 -3.272 6.982 693 HH12 ARG 108 HH12 ARG 108 -39.687 -1.737 7.659 694 HH21 ARG 108 HH21 ARG 108 -41.747 -0.805 4.893 695 HH22 ARG 108 HH22 ARG 108 -41.141 -0.291 6.414 696 H THR 109 H THR 109 -41.218 -5.802 1.114 697 HA THR 109 HA THR 109 -41.951 -4.114 -1.031 698 HB THR 109 HB THR 109 -41.132 -6.006 -2.306 699 HG1 THR 109 HG1 THR 109 -42.927 -6.068 -3.431 700 HG21 THR 109 HG21 THR 109 -42.931 -7.795 -0.599 701 HG22 THR 109 HG22 THR 109 -41.151 -7.812 -0.604 702 HG23 THR 109 HG23 THR 109 -42.041 -8.285 -2.055 703 H GLY 110 H GLY 110 -44.166 -3.937 -0.902 704 HA2 GLY 110 HA2 GLY 110 -45.815 -5.312 1.059 705 HA3 GLY 110 HA3 GLY 110 -45.471 -3.634 1.522 706 H TYR 111 H TYR 111 -46.866 -5.698 -1.034 707 HA TYR 111 HA TYR 111 -47.970 -3.677 -2.687 708 HB3 TYR 111 HB3 TYR 111 -49.670 -6.024 -2.585 709 HD1 TYR 111 HD1 TYR 111 -46.398 -5.996 -4.349 710 HD2 TYR 111 HD2 TYR 111 -50.599 -5.027 -4.610 711 HE1 TYR 111 HE1 TYR 111 -46.187 -5.769 -6.784 712 HE2 TYR 111 HE2 TYR 111 -50.360 -4.757 -7.071 713 HH TYR 111 HH TYR 111 -47.196 -4.929 -8.696 714 H THR 112 H THR 112 -49.271 -2.043 -1.875 715 HA THR 112 HA THR 112 -51.864 -2.779 -1.049 716 HB THR 112 HB THR 112 -50.829 -2.918 1.181 717 HG1 THR 112 HG1 THR 112 -52.218 -1.468 2.181 718 HG21 THR 112 HG21 THR 112 -48.940 -1.381 0.957 719 HG22 THR 112 HG22 THR 112 -49.961 -0.903 2.320 720 HG23 THR 112 HG23 THR 112 -50.046 -0.008 0.789 721 H LEU 113 H LEU 113 -53.054 -0.558 -0.656 722 HA LEU 113 HA LEU 113 -52.769 0.872 -3.143 723 HB3 LEU 113 HB3 LEU 113 -54.453 1.692 -0.747 724 HG LEU 113 HG LEU 113 -54.616 3.115 -2.872 725 HD11 LEU 113 HD11 LEU 113 -55.850 0.539 -3.975 726 HD12 LEU 113 HD12 LEU 113 -54.385 1.344 -4.578 727 HD13 LEU 113 HD13 LEU 113 -55.948 2.143 -4.745 728 HD21 LEU 113 HD21 LEU 113 -57.103 1.591 -1.981 729 HD22 LEU 113 HD22 LEU 113 -57.081 3.152 -2.836 730 HD23 LEU 113 HD23 LEU 113 -56.415 3.035 -1.204 731 H ASP 114 H ASP 114 -51.383 1.330 -0.073 732 HA ASP 114 HA ASP 114 -51.026 4.235 -0.161 733 HB3 ASP 114 HB3 ASP 114 -50.140 2.047 1.755 734 H VAL 115 H VAL 115 -49.367 1.635 -1.629 735 HA VAL 115 HA VAL 115 -46.692 2.849 -1.116 736 HB VAL 115 HB VAL 115 -47.526 -0.054 -1.408 737 HG11 VAL 115 HG11 VAL 115 -45.140 -0.609 -1.014 738 HG12 VAL 115 HG12 VAL 115 -45.353 0.233 -2.539 739 HG13 VAL 115 HG13 VAL 115 -44.713 1.117 -1.135 740 HG21 VAL 115 HG21 VAL 115 -47.886 0.971 0.848 741 HG22 VAL 115 HG22 VAL 115 -46.605 -0.240 0.884 742 HG23 VAL 115 HG23 VAL 115 -46.203 1.497 0.880 743 H THR 116 H THR 116 -45.495 3.395 -2.764 744 HA THR 116 HA THR 116 -46.327 3.307 -5.513 745 HB THR 116 HB THR 116 -45.154 5.200 -4.651 746 HG1 THR 116 HG1 THR 116 -43.547 3.660 -6.355 747 HG21 THR 116 HG21 THR 116 -43.860 4.325 -2.779 748 HG22 THR 116 HG22 THR 116 -42.797 5.168 -3.903 749 HG23 THR 116 HG23 THR 116 -42.820 3.396 -3.887 750 H THR 117 H THR 117 -46.568 0.726 -5.055 751 HA THR 117 HA THR 117 -44.087 -0.771 -5.313 752 HB THR 117 HB THR 117 -46.212 -1.411 -4.050 753 HG1 THR 117 HG1 THR 117 -45.137 -3.379 -5.779 754 HG21 THR 117 HG21 THR 117 -47.202 -2.354 -6.761 755 HG22 THR 117 HG22 THR 117 -47.863 -0.989 -5.838 756 HG23 THR 117 HG23 THR 117 -47.949 -2.638 -5.175 757 H GLY 118 H GLY 118 -43.811 -2.241 -7.109 758 HA2 GLY 118 HA2 GLY 118 -45.499 -1.983 -9.410 759 HA3 GLY 118 HA3 GLY 118 -43.863 -2.483 -9.633 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 3.099 -21.595 -4.582 2 HA2 GLY 1 HA2 GLY 1 2.237 -20.259 -2.724 3 HA3 GLY 1 HA3 GLY 1 4.016 -20.307 -2.697 4 H SER 2 H SER 2 5.140 -18.400 -2.860 5 HA SER 2 HA SER 2 3.757 -15.948 -3.789 6 HB3 SER 2 HB3 SER 2 4.838 -14.701 -2.114 7 HG SER 2 HG SER 2 4.717 -16.009 -0.106 8 H GLU 3 H GLU 3 5.504 -14.378 -4.629 9 HA GLU 3 HA GLU 3 8.035 -15.640 -5.502 10 HB3 GLU 3 HB3 GLU 3 6.395 -16.105 -7.291 11 HG3 GLU 3 HG3 GLU 3 6.500 -13.134 -7.981 12 H ASN 4 H ASN 4 5.954 -12.771 -5.636 13 HA ASN 4 HA ASN 4 7.601 -10.618 -5.541 14 HB3 ASN 4 HB3 ASN 4 5.116 -10.581 -5.497 15 HD21 ASN 4 HD21 ASN 4 4.541 -9.555 -2.454 16 HD22 ASN 4 HD22 ASN 4 3.757 -11.008 -1.859 17 H PHE 5 H PHE 5 6.867 -12.824 -2.819 18 HA PHE 5 HA PHE 5 8.103 -11.491 -0.711 19 HB3 PHE 5 HB3 PHE 5 8.101 -14.470 -1.327 20 HD1 PHE 5 HD1 PHE 5 8.009 -11.999 1.569 21 HD2 PHE 5 HD2 PHE 5 9.270 -15.873 0.136 22 HE1 PHE 5 HE1 PHE 5 9.005 -12.491 3.764 23 HE2 PHE 5 HE2 PHE 5 10.241 -16.357 2.346 24 HZ PHE 5 HZ PHE 5 10.100 -14.696 4.182 25 H GLN 6 H GLN 6 9.695 -13.826 -2.936 26 HA GLN 6 HA GLN 6 12.340 -13.323 -1.879 27 HB3 GLN 6 HB3 GLN 6 11.322 -14.683 -4.418 28 HG3 GLN 6 HG3 GLN 6 13.731 -14.062 -4.650 29 HE21 GLN 6 HE21 GLN 6 14.664 -13.003 -2.741 30 HE22 GLN 6 HE22 GLN 6 15.604 -13.959 -1.607 31 H THR 7 H THR 7 10.435 -12.025 -4.631 32 HA THR 7 HA THR 7 12.481 -10.598 -5.955 33 HB THR 7 HB THR 7 9.581 -9.817 -5.417 34 HG1 THR 7 HG1 THR 7 9.166 -10.841 -7.360 35 HG21 THR 7 HG21 THR 7 10.797 -7.964 -6.397 36 HG22 THR 7 HG22 THR 7 9.602 -8.672 -7.494 37 HG23 THR 7 HG23 THR 7 11.333 -9.030 -7.736 38 H LEU 8 H LEU 8 10.541 -9.647 -3.075 39 HA LEU 8 HA LEU 8 11.549 -7.013 -2.903 40 HB3 LEU 8 HB3 LEU 8 10.677 -7.167 -0.497 41 HG LEU 8 HG LEU 8 9.017 -7.920 -2.931 42 HD11 LEU 8 HD11 LEU 8 6.983 -7.883 -1.552 43 HD12 LEU 8 HD12 LEU 8 7.994 -7.834 -0.072 44 HD13 LEU 8 HD13 LEU 8 8.033 -9.236 -1.141 45 HD21 LEU 8 HD21 LEU 8 8.903 -5.551 -1.042 46 HD22 LEU 8 HD22 LEU 8 7.903 -5.812 -2.490 47 HD23 LEU 8 HD23 LEU 8 9.640 -5.585 -2.673 48 H LEU 9 H LEU 9 12.768 -10.055 -1.253 49 HA LEU 9 HA LEU 9 14.827 -8.939 0.234 50 HB3 LEU 9 HB3 LEU 9 15.875 -11.295 -0.467 51 HG LEU 9 HG LEU 9 14.577 -12.562 0.957 52 HD11 LEU 9 HD11 LEU 9 16.162 -10.806 1.903 53 HD12 LEU 9 HD12 LEU 9 14.931 -11.408 3.021 54 HD13 LEU 9 HD13 LEU 9 14.732 -9.814 2.249 55 HD21 LEU 9 HD21 LEU 9 12.430 -12.015 0.276 56 HD22 LEU 9 HD22 LEU 9 12.523 -10.372 0.970 57 HD23 LEU 9 HD23 LEU 9 12.512 -11.798 2.027 58 H ASP 10 H ASP 10 14.599 -9.280 -3.227 59 HA ASP 10 HA ASP 10 17.520 -8.844 -3.496 60 HB3 ASP 10 HB3 ASP 10 15.987 -9.676 -5.887 61 H ALA 11 H ALA 11 14.656 -7.182 -3.662 62 HA ALA 11 HA ALA 11 15.365 -5.368 -5.865 63 HB1 ALA 11 HB1 ALA 11 13.035 -5.449 -3.906 64 HB2 ALA 11 HB2 ALA 11 13.155 -4.392 -5.332 65 HB3 ALA 11 HB3 ALA 11 13.050 -6.152 -5.542 66 H GLY 12 H GLY 12 16.244 -5.619 -2.608 67 HA2 GLY 12 HA2 GLY 12 17.743 -3.543 -2.078 68 HA3 GLY 12 HA3 GLY 12 16.219 -2.694 -2.121 69 H LEU 13 H LEU 13 14.991 -5.418 -0.873 70 HA LEU 13 HA LEU 13 14.931 -3.812 1.591 71 HB3 LEU 13 HB3 LEU 13 12.603 -4.374 1.654 72 HG LEU 13 HG LEU 13 13.272 -4.019 -1.310 73 HD11 LEU 13 HD11 LEU 13 11.032 -3.112 -1.496 74 HD12 LEU 13 HD12 LEU 13 10.723 -3.444 0.226 75 HD13 LEU 13 HD13 LEU 13 11.029 -4.782 -0.904 76 HD21 LEU 13 HD21 LEU 13 12.824 -1.609 -0.950 77 HD22 LEU 13 HD22 LEU 13 14.281 -2.135 -0.113 78 HD23 LEU 13 HD23 LEU 13 12.787 -1.860 0.793 79 HA PRO 14 HA PRO 14 16.030 -7.268 4.083 80 HB3 PRO 14 HB3 PRO 14 16.300 -5.798 5.852 81 HG3 PRO 14 HG3 PRO 14 14.856 -3.945 6.109 82 HD3 PRO 14 HD3 PRO 14 15.394 -3.766 3.848 83 H GLN 15 H GLN 15 15.280 -9.107 5.177 84 HA GLN 15 HA GLN 15 13.136 -10.543 4.200 85 HB3 GLN 15 HB3 GLN 15 14.297 -10.885 6.973 86 HG3 GLN 15 HG3 GLN 15 12.411 -12.430 5.969 87 HE21 GLN 15 HE21 GLN 15 11.943 -13.391 3.925 88 HE22 GLN 15 HE22 GLN 15 13.115 -14.271 2.993 89 H LYS 16 H LYS 16 13.251 -8.904 7.389 90 HA LYS 16 HA LYS 16 10.677 -9.503 8.273 91 HB3 LYS 16 HB3 LYS 16 12.165 -8.573 9.842 92 HG3 LYS 16 HG3 LYS 16 12.471 -6.201 7.962 93 HD3 LYS 16 HD3 LYS 16 12.815 -6.301 10.898 94 HE3 LYS 16 HE3 LYS 16 14.927 -4.710 10.382 95 HZ1 LYS 16 HZ1 LYS 16 14.976 -7.618 10.840 96 HZ2 LYS 16 HZ2 LYS 16 15.161 -6.376 11.896 97 HZ3 LYS 16 HZ3 LYS 16 16.346 -6.705 10.783 98 H VAL 17 H VAL 17 11.605 -6.889 6.009 99 HA VAL 17 HA VAL 17 9.016 -5.595 6.195 100 HB VAL 17 HB VAL 17 11.384 -5.443 4.285 101 HG11 VAL 17 HG11 VAL 17 8.760 -3.955 4.041 102 HG12 VAL 17 HG12 VAL 17 10.281 -3.450 3.279 103 HG13 VAL 17 HG13 VAL 17 9.556 -4.983 2.829 104 HG21 VAL 17 HG21 VAL 17 11.828 -3.313 5.291 105 HG22 VAL 17 HG22 VAL 17 10.291 -3.297 6.138 106 HG23 VAL 17 HG23 VAL 17 11.544 -4.425 6.636 107 H ALA 18 H ALA 18 10.552 -7.938 3.874 108 HA ALA 18 HA ALA 18 8.238 -8.112 2.224 109 HB1 ALA 18 HB1 ALA 18 10.546 -8.836 1.562 110 HB2 ALA 18 HB2 ALA 18 10.354 -10.257 2.618 111 HB3 ALA 18 HB3 ALA 18 9.277 -10.024 1.216 112 H GLU 19 H GLU 19 9.134 -9.827 5.228 113 HA GLU 19 HA GLU 19 7.073 -11.802 5.132 114 HB3 GLU 19 HB3 GLU 19 7.284 -11.790 7.616 115 HG3 GLU 19 HG3 GLU 19 10.086 -11.868 6.520 116 H LYS 20 H LYS 20 6.770 -8.357 5.650 117 HA LYS 20 HA LYS 20 4.026 -8.781 6.763 118 HB3 LYS 20 HB3 LYS 20 4.225 -6.131 6.821 119 HG3 LYS 20 HG3 LYS 20 3.800 -7.472 8.807 120 HD3 LYS 20 HD3 LYS 20 6.138 -7.860 10.149 121 HE3 LYS 20 HE3 LYS 20 6.014 -10.312 9.411 122 HZ1 LYS 20 HZ1 LYS 20 3.505 -9.138 10.471 123 HZ2 LYS 20 HZ2 LYS 20 4.850 -9.491 11.363 124 HZ3 LYS 20 HZ3 LYS 20 4.013 -10.687 10.610 125 H LEU 21 H LEU 21 5.381 -8.876 3.791 126 HA LEU 21 HA LEU 21 3.298 -7.178 2.499 127 HB3 LEU 21 HB3 LEU 21 6.069 -7.909 1.463 128 HG LEU 21 HG LEU 21 4.892 -7.095 -0.403 129 HD11 LEU 21 HD11 LEU 21 3.630 -5.071 1.481 130 HD12 LEU 21 HD12 LEU 21 2.819 -6.249 0.434 131 HD13 LEU 21 HD13 LEU 21 3.620 -4.844 -0.277 132 HD21 LEU 21 HD21 LEU 21 5.998 -5.014 -0.877 133 HD22 LEU 21 HD22 LEU 21 7.050 -5.890 0.252 134 HD23 LEU 21 HD23 LEU 21 6.046 -4.574 0.849 135 H ASP 22 H ASP 22 5.043 -10.255 2.370 136 HA ASP 22 HA ASP 22 4.281 -11.134 -0.067 137 HB3 ASP 22 HB3 ASP 22 5.834 -12.370 1.213 138 H GLU 23 H GLU 23 2.233 -11.706 2.821 139 HA GLU 23 HA GLU 23 0.327 -13.257 1.623 140 HB3 GLU 23 HB3 GLU 23 0.736 -11.566 4.076 141 HG3 GLU 23 HG3 GLU 23 -1.853 -13.040 3.574 142 H ILE 24 H ILE 24 0.703 -9.783 1.667 143 HA ILE 24 HA ILE 24 -2.009 -9.012 1.222 144 HB ILE 24 HB ILE 24 0.469 -7.512 0.265 145 HG13 ILE 24 HG13 ILE 24 0.926 -8.084 2.582 146 HG21 ILE 24 HG21 ILE 24 -2.179 -6.452 1.318 147 HG22 ILE 24 HG22 ILE 24 -0.893 -5.528 0.518 148 HG23 ILE 24 HG23 ILE 24 -1.842 -6.686 -0.409 149 HD11 ILE 24 HD11 ILE 24 0.996 -5.997 3.735 150 HD12 ILE 24 HD12 ILE 24 1.293 -5.671 2.016 151 HD13 ILE 24 HD13 ILE 24 -0.288 -5.308 2.741 152 H TYR 25 H TYR 25 0.595 -10.030 -0.898 153 HA TYR 25 HA TYR 25 -0.902 -9.682 -3.415 154 HB3 TYR 25 HB3 TYR 25 1.094 -10.875 -4.382 155 HD1 TYR 25 HD1 TYR 25 2.208 -8.715 -1.540 156 HD2 TYR 25 HD2 TYR 25 1.422 -9.024 -5.757 157 HE1 TYR 25 HE1 TYR 25 3.183 -6.448 -1.894 158 HE2 TYR 25 HE2 TYR 25 2.460 -6.771 -6.106 159 HH TYR 25 HH TYR 25 3.310 -4.895 -5.103 160 H VAL 26 H VAL 26 -1.314 -11.940 -0.997 161 HA VAL 26 HA VAL 26 -1.825 -14.214 -2.877 162 HB VAL 26 HB VAL 26 -0.757 -14.099 -0.041 163 HG11 VAL 26 HG11 VAL 26 -0.583 -16.592 -0.148 164 HG12 VAL 26 HG12 VAL 26 -2.217 -15.975 -0.008 165 HG13 VAL 26 HG13 VAL 26 -1.637 -16.556 -1.584 166 HG21 VAL 26 HG21 VAL 26 1.227 -15.156 -0.943 167 HG22 VAL 26 HG22 VAL 26 0.483 -15.313 -2.546 168 HG23 VAL 26 HG23 VAL 26 0.907 -13.716 -1.888 169 H ALA 27 H ALA 27 -3.048 -12.233 -0.250 170 HA ALA 27 HA ALA 27 -5.627 -13.687 -0.215 171 HB1 ALA 27 HB1 ALA 27 -4.376 -11.779 1.808 172 HB2 ALA 27 HB2 ALA 27 -5.905 -12.664 1.987 173 HB3 ALA 27 HB3 ALA 27 -4.376 -13.555 1.930 174 H GLY 28 H GLY 28 -4.967 -11.920 -2.418 175 HA2 GLY 28 HA2 GLY 28 -6.166 -10.594 -3.755 176 HA3 GLY 28 HA3 GLY 28 -7.488 -10.834 -2.623 177 H LEU 29 H LEU 29 -4.842 -9.135 -1.183 178 HA LEU 29 HA LEU 29 -6.606 -6.815 -0.884 179 HB3 LEU 29 HB3 LEU 29 -4.564 -6.026 0.529 180 HG LEU 29 HG LEU 29 -6.223 -8.493 1.143 181 HD11 LEU 29 HD11 LEU 29 -4.078 -7.261 2.905 182 HD12 LEU 29 HD12 LEU 29 -4.131 -8.926 2.274 183 HD13 LEU 29 HD13 LEU 29 -5.324 -8.397 3.467 184 HD21 LEU 29 HD21 LEU 29 -6.113 -5.719 2.417 185 HD22 LEU 29 HD22 LEU 29 -7.257 -7.030 2.791 186 HD23 LEU 29 HD23 LEU 29 -7.304 -6.257 1.213 187 H VAL 30 H VAL 30 -3.935 -7.651 -2.958 188 HA VAL 30 HA VAL 30 -4.116 -4.951 -4.143 189 HB VAL 30 HB VAL 30 -1.729 -5.155 -4.830 190 HG11 VAL 30 HG11 VAL 30 -2.537 -3.597 -3.102 191 HG12 VAL 30 HG12 VAL 30 -2.213 -4.819 -1.853 192 HG13 VAL 30 HG13 VAL 30 -0.879 -4.134 -2.812 193 HG21 VAL 30 HG21 VAL 30 -1.304 -7.516 -4.326 194 HG22 VAL 30 HG22 VAL 30 -0.154 -6.427 -3.533 195 HG23 VAL 30 HG23 VAL 30 -1.463 -7.172 -2.597 196 H ALA 31 H ALA 31 -2.584 -5.395 -6.399 197 HA ALA 31 HA ALA 31 -3.709 -7.751 -7.701 198 HB1 ALA 31 HB1 ALA 31 -5.233 -5.755 -8.006 199 HB2 ALA 31 HB2 ALA 31 -3.887 -4.945 -8.832 200 HB3 ALA 31 HB3 ALA 31 -4.590 -6.421 -9.526 201 H HIS 32 H HIS 32 -0.997 -7.254 -6.861 202 HA HIS 32 HA HIS 32 1.095 -7.538 -7.507 203 HB3 HIS 32 HB3 HIS 32 0.165 -7.882 -10.351 204 HD1 HIS 32 HD1 HIS 32 1.452 -10.707 -10.597 205 HD2 HIS 32 HD2 HIS 32 3.400 -7.379 -8.983 206 HE1 HIS 32 HE1 HIS 32 3.920 -11.114 -10.954 207 H SER 33 H SER 33 -0.575 -5.302 -9.782 208 HA SER 33 HA SER 33 1.549 -3.298 -9.248 209 HB3 SER 33 HB3 SER 33 1.986 -4.161 -11.436 210 HG SER 33 HG SER 33 0.048 -3.433 -12.912 211 H ASP 34 H ASP 34 -0.692 -3.596 -7.683 212 HA ASP 34 HA ASP 34 -2.724 -1.593 -8.449 213 HB3 ASP 34 HB3 ASP 34 -2.778 -1.963 -5.652 214 H LEU 35 H LEU 35 0.515 -1.554 -7.168 215 HA LEU 35 HA LEU 35 0.312 1.221 -6.171 216 HB3 LEU 35 HB3 LEU 35 2.626 0.667 -5.379 217 HG LEU 35 HG LEU 35 2.118 -0.880 -3.616 218 HD11 LEU 35 HD11 LEU 35 1.408 1.568 -3.520 219 HD12 LEU 35 HD12 LEU 35 0.557 0.477 -2.400 220 HD13 LEU 35 HD13 LEU 35 -0.239 1.015 -3.886 221 HD21 LEU 35 HD21 LEU 35 -0.718 -1.128 -4.588 222 HD22 LEU 35 HD22 LEU 35 0.004 -1.854 -3.144 223 HD23 LEU 35 HD23 LEU 35 0.529 -2.392 -4.753 224 H ASP 36 H ASP 36 2.756 2.192 -6.670 225 HA ASP 36 HA ASP 36 2.953 2.371 -9.636 226 HB3 ASP 36 HB3 ASP 36 3.414 4.912 -8.988 227 H GLU 37 H GLU 37 4.884 3.604 -10.202 228 HA GLU 37 HA GLU 37 7.394 2.863 -9.188 229 HB3 GLU 37 HB3 GLU 37 6.720 5.518 -10.540 230 HG3 GLU 37 HG3 GLU 37 9.163 4.710 -9.998 231 H ARG 38 H ARG 38 5.396 5.769 -8.692 232 HA ARG 38 HA ARG 38 7.058 7.127 -6.913 233 HB3 ARG 38 HB3 ARG 38 5.016 8.361 -6.174 234 HG3 ARG 38 HG3 ARG 38 3.933 8.324 -8.766 235 HD3 ARG 38 HD3 ARG 38 4.477 10.341 -7.375 236 HE ARG 38 HE ARG 38 7.122 9.550 -7.517 237 HH11 ARG 38 HH11 ARG 38 5.446 12.387 -8.816 238 HH12 ARG 38 HH12 ARG 38 6.935 13.200 -9.184 239 HH21 ARG 38 HH21 ARG 38 8.981 10.771 -7.708 240 HH22 ARG 38 HH22 ARG 38 8.949 12.460 -8.154 241 H ALA 39 H ALA 39 4.910 4.380 -6.207 242 HA ALA 39 HA ALA 39 5.089 4.843 -3.318 243 HB1 ALA 39 HB1 ALA 39 3.869 2.751 -3.169 244 HB2 ALA 39 HB2 ALA 39 3.054 3.802 -4.347 245 HB3 ALA 39 HB3 ALA 39 4.069 2.443 -4.893 246 H ILE 40 H ILE 40 6.818 2.938 -5.823 247 HA ILE 40 HA ILE 40 8.204 1.247 -3.960 248 HB ILE 40 HB ILE 40 8.862 2.055 -6.807 249 HG13 ILE 40 HG13 ILE 40 8.044 -0.085 -7.448 250 HG21 ILE 40 HG21 ILE 40 10.975 1.452 -5.811 251 HG22 ILE 40 HG22 ILE 40 10.276 0.045 -5.003 252 HG23 ILE 40 HG23 ILE 40 10.416 0.088 -6.785 253 HD11 ILE 40 HD11 ILE 40 7.428 -0.726 -4.534 254 HD12 ILE 40 HD12 ILE 40 6.869 -1.642 -5.944 255 HD13 ILE 40 HD13 ILE 40 8.597 -1.565 -5.580 256 H GLU 41 H GLU 41 9.086 4.402 -5.489 257 HA GLU 41 HA GLU 41 11.669 4.649 -4.480 258 HB3 GLU 41 HB3 GLU 41 10.733 7.214 -4.087 259 HG3 GLU 41 HG3 GLU 41 12.501 6.459 -5.686 260 H ALA 42 H ALA 42 8.659 5.455 -2.783 261 HA ALA 42 HA ALA 42 10.120 6.214 -0.370 262 HB1 ALA 42 HB1 ALA 42 7.142 5.848 -0.822 263 HB2 ALA 42 HB2 ALA 42 7.937 6.755 0.499 264 HB3 ALA 42 HB3 ALA 42 8.041 7.344 -1.167 265 H LEU 43 H LEU 43 8.982 3.201 -1.610 266 HA LEU 43 HA LEU 43 9.083 1.916 1.032 267 HB3 LEU 43 HB3 LEU 43 8.309 -0.120 -0.282 268 HG LEU 43 HG LEU 43 6.289 2.096 -0.452 269 HD11 LEU 43 HD11 LEU 43 5.570 0.074 -1.532 270 HD12 LEU 43 HD12 LEU 43 4.817 -0.015 0.073 271 HD13 LEU 43 HD13 LEU 43 6.249 -0.963 -0.271 272 HD21 LEU 43 HD21 LEU 43 7.118 2.128 1.868 273 HD22 LEU 43 HD22 LEU 43 6.897 0.361 1.984 274 HD23 LEU 43 HD23 LEU 43 5.502 1.435 1.796 275 H LYS 44 H LYS 44 11.516 2.951 -0.379 276 HA LYS 44 HA LYS 44 13.031 0.389 -0.214 277 HB3 LYS 44 HB3 LYS 44 14.881 1.899 -1.236 278 HG3 LYS 44 HG3 LYS 44 12.605 1.129 -3.078 279 HD3 LYS 44 HD3 LYS 44 15.653 1.150 -3.363 280 HE3 LYS 44 HE3 LYS 44 13.387 0.263 -5.144 281 HZ1 LYS 44 HZ1 LYS 44 15.898 1.517 -5.974 282 HZ2 LYS 44 HZ2 LYS 44 14.402 1.677 -6.603 283 HZ3 LYS 44 HZ3 LYS 44 15.247 0.300 -6.885 284 H GLU 45 H GLU 45 13.458 3.886 0.571 285 HA GLU 45 HA GLU 45 15.226 2.992 2.720 286 HB3 GLU 45 HB3 GLU 45 16.227 4.529 1.340 287 HG3 GLU 45 HG3 GLU 45 15.081 6.998 1.748 288 H PHE 46 H PHE 46 13.438 2.087 3.822 289 HA PHE 46 HA PHE 46 12.291 4.004 5.804 290 HB3 PHE 46 HB3 PHE 46 10.424 3.068 4.908 291 HD1 PHE 46 HD1 PHE 46 12.793 0.076 5.128 292 HD2 PHE 46 HD2 PHE 46 9.170 1.755 3.485 293 HE1 PHE 46 HE1 PHE 46 12.713 -1.731 3.484 294 HE2 PHE 46 HE2 PHE 46 9.038 -0.196 1.926 295 HZ PHE 46 HZ PHE 46 10.812 -1.845 1.854 296 H ASN 47 H ASN 47 12.142 3.210 7.988 297 HA ASN 47 HA ASN 47 14.505 1.682 8.840 298 HB3 ASN 47 HB3 ASN 47 13.808 3.678 10.108 299 HD21 ASN 47 HD21 ASN 47 12.171 2.136 12.649 300 HD22 ASN 47 HD22 ASN 47 10.641 2.842 12.251 301 H GLU 48 H GLU 48 13.974 0.145 10.713 302 HA GLU 48 HA GLU 48 12.804 -2.220 9.745 303 HB3 GLU 48 HB3 GLU 48 13.909 -1.239 12.389 304 HG3 GLU 48 HG3 GLU 48 12.851 -4.002 11.777 305 H ASP 49 H ASP 49 11.146 0.414 11.302 306 HA ASP 49 HA ASP 49 8.786 -1.394 11.434 307 HB3 ASP 49 HB3 ASP 49 8.895 1.240 12.819 308 H GLY 50 H GLY 50 10.277 0.927 9.546 309 HA2 GLY 50 HA2 GLY 50 8.123 2.738 9.228 310 HA3 GLY 50 HA3 GLY 50 9.626 2.721 8.294 311 H ALA 51 H ALA 51 9.222 -0.006 7.330 312 HA ALA 51 HA ALA 51 7.093 0.337 5.311 313 HB1 ALA 51 HB1 ALA 51 7.897 -1.565 4.297 314 HB2 ALA 51 HB2 ALA 51 9.388 -1.067 5.134 315 HB3 ALA 51 HB3 ALA 51 8.365 -2.336 5.813 316 H LEU 52 H LEU 52 7.844 -1.735 8.124 317 HA LEU 52 HA LEU 52 5.878 -3.593 7.987 318 HB3 LEU 52 HB3 LEU 52 6.131 -3.753 10.521 319 HG LEU 52 HG LEU 52 8.570 -4.131 10.718 320 HD11 LEU 52 HD11 LEU 52 7.301 -5.527 8.346 321 HD12 LEU 52 HD12 LEU 52 7.051 -5.892 10.073 322 HD13 LEU 52 HD13 LEU 52 8.635 -6.126 9.356 323 HD21 LEU 52 HD21 LEU 52 8.787 -3.657 7.736 324 HD22 LEU 52 HD22 LEU 52 10.066 -4.135 8.879 325 HD23 LEU 52 HD23 LEU 52 9.386 -2.510 8.977 326 H ALA 53 H ALA 53 5.628 -0.454 9.673 327 HA ALA 53 HA ALA 53 3.152 -1.024 10.965 328 HB1 ALA 53 HB1 ALA 53 4.494 1.650 10.316 329 HB2 ALA 53 HB2 ALA 53 3.251 1.359 11.564 330 HB3 ALA 53 HB3 ALA 53 4.858 0.636 11.719 331 H VAL 54 H VAL 54 4.105 0.354 7.940 332 HA VAL 54 HA VAL 54 1.581 1.683 7.313 333 HB VAL 54 HB VAL 54 4.174 1.189 5.763 334 HG11 VAL 54 HG11 VAL 54 2.124 3.298 5.157 335 HG12 VAL 54 HG12 VAL 54 3.536 2.757 4.197 336 HG13 VAL 54 HG13 VAL 54 2.132 1.700 4.360 337 HG21 VAL 54 HG21 VAL 54 4.584 2.599 7.750 338 HG22 VAL 54 HG22 VAL 54 4.673 3.566 6.286 339 HG23 VAL 54 HG23 VAL 54 3.222 3.644 7.314 340 H LEU 55 H LEU 55 3.444 -1.185 6.271 341 HA LEU 55 HA LEU 55 1.605 -2.154 4.297 342 HB3 LEU 55 HB3 LEU 55 2.804 -4.335 4.767 343 HG LEU 55 HG LEU 55 4.783 -2.040 4.415 344 HD11 LEU 55 HD11 LEU 55 6.057 -3.787 3.189 345 HD12 LEU 55 HD12 LEU 55 4.789 -4.961 3.627 346 HD13 LEU 55 HD13 LEU 55 5.777 -4.214 4.882 347 HD21 LEU 55 HD21 LEU 55 3.189 -1.563 2.756 348 HD22 LEU 55 HD22 LEU 55 2.879 -3.265 2.415 349 HD23 LEU 55 HD23 LEU 55 4.419 -2.519 1.918 350 H GLN 56 H GLN 56 2.027 -2.884 7.782 351 HA GLN 56 HA GLN 56 0.010 -4.782 8.117 352 HB3 GLN 56 HB3 GLN 56 1.049 -2.547 9.906 353 HG3 GLN 56 HG3 GLN 56 -1.178 -3.179 10.805 354 HE21 GLN 56 HE21 GLN 56 -2.347 -4.824 9.438 355 HE22 GLN 56 HE22 GLN 56 -2.089 -6.511 9.795 356 H GLN 57 H GLN 57 -0.340 -1.319 8.684 357 HA GLN 57 HA GLN 57 -3.082 -1.144 8.950 358 HB3 GLN 57 HB3 GLN 57 -2.362 1.201 7.488 359 HG3 GLN 57 HG3 GLN 57 -1.983 2.156 9.830 360 HE21 GLN 57 HE21 GLN 57 -3.690 3.393 8.910 361 HE22 GLN 57 HE22 GLN 57 -5.362 2.901 9.080 362 H PHE 58 H PHE 58 -1.338 -0.921 5.806 363 HA PHE 58 HA PHE 58 -3.551 -0.459 4.174 364 HB3 PHE 58 HB3 PHE 58 -1.140 -2.176 3.488 365 HD1 PHE 58 HD1 PHE 58 -2.797 -3.299 1.808 366 HD2 PHE 58 HD2 PHE 58 -1.671 0.878 1.613 367 HE1 PHE 58 HE1 PHE 58 -3.485 -3.217 -0.556 368 HE2 PHE 58 HE2 PHE 58 -2.326 0.923 -0.775 369 HZ PHE 58 HZ PHE 58 -3.213 -1.131 -1.861 370 H LYS 59 H LYS 59 -2.544 -3.560 5.578 371 HA LYS 59 HA LYS 59 -4.198 -5.277 3.939 372 HB3 LYS 59 HB3 LYS 59 -4.021 -6.885 5.877 373 HG3 LYS 59 HG3 LYS 59 -1.481 -5.497 4.972 374 HD3 LYS 59 HD3 LYS 59 -1.200 -6.786 7.139 375 HE3 LYS 59 HE3 LYS 59 -1.792 -9.166 5.315 376 HZ1 LYS 59 HZ1 LYS 59 -0.111 -9.470 7.087 377 HZ2 LYS 59 HZ2 LYS 59 -1.364 -10.469 7.169 378 HZ3 LYS 59 HZ3 LYS 59 -1.296 -9.176 8.219 379 H ASP 60 H ASP 60 -5.060 -3.009 6.338 380 HA ASP 60 HA ASP 60 -7.692 -4.314 6.740 381 HB3 ASP 60 HB3 ASP 60 -6.366 -2.805 8.990 382 H SER 61 H SER 61 -6.915 -2.287 4.852 383 HA SER 61 HA SER 61 -8.285 0.147 5.819 384 HB3 SER 61 HB3 SER 61 -7.391 1.098 3.727 385 HG SER 61 HG SER 61 -6.023 0.517 5.828 386 H ASP 62 H ASP 62 -9.627 1.212 4.088 387 HA ASP 62 HA ASP 62 -11.995 -0.343 3.705 388 HB3 ASP 62 HB3 ASP 62 -11.081 2.531 3.218 389 H LEU 63 H LEU 63 -10.225 -1.578 2.057 390 HA LEU 63 HA LEU 63 -9.749 -0.206 -0.388 391 HB3 LEU 63 HB3 LEU 63 -8.672 -2.238 -1.151 392 HG LEU 63 HG LEU 63 -8.116 -1.668 1.792 393 HD11 LEU 63 HD11 LEU 63 -7.454 -3.901 1.300 394 HD12 LEU 63 HD12 LEU 63 -6.010 -2.890 1.423 395 HD13 LEU 63 HD13 LEU 63 -6.597 -3.400 -0.179 396 HD21 LEU 63 HD21 LEU 63 -6.112 -0.504 0.938 397 HD22 LEU 63 HD22 LEU 63 -7.598 0.252 0.356 398 HD23 LEU 63 HD23 LEU 63 -6.647 -0.796 -0.727 399 H SER 64 H SER 64 -12.591 -1.629 0.472 400 HA SER 64 HA SER 64 -13.622 -2.624 -2.020 401 HB3 SER 64 HB3 SER 64 -14.818 -1.515 0.553 402 HG SER 64 HG SER 64 -16.566 -1.404 -0.612 403 H HIS 65 H HIS 65 -12.695 0.584 -1.017 404 HA HIS 65 HA HIS 65 -14.423 1.828 -3.095 405 HB3 HIS 65 HB3 HIS 65 -14.815 3.623 -1.418 406 HD1 HIS 65 HD1 HIS 65 -17.252 2.531 -2.172 407 HD2 HIS 65 HD2 HIS 65 -15.105 0.637 0.931 408 HE1 HIS 65 HE1 HIS 65 -18.800 0.785 -1.169 409 H VAL 66 H VAL 66 -11.358 1.229 -3.139 410 HA VAL 66 HA VAL 66 -10.394 4.032 -3.242 411 HB VAL 66 HB VAL 66 -9.282 2.756 -1.620 412 HG11 VAL 66 HG11 VAL 66 -8.394 0.749 -3.691 413 HG12 VAL 66 HG12 VAL 66 -7.976 0.797 -1.964 414 HG13 VAL 66 HG13 VAL 66 -9.640 0.469 -2.475 415 HG21 VAL 66 HG21 VAL 66 -6.968 3.020 -2.248 416 HG22 VAL 66 HG22 VAL 66 -7.390 3.053 -3.969 417 HG23 VAL 66 HG23 VAL 66 -7.911 4.370 -2.894 418 H GLN 67 H GLN 67 -10.198 4.945 -5.146 419 HA GLN 67 HA GLN 67 -10.086 3.606 -7.672 420 HB3 GLN 67 HB3 GLN 67 -9.224 6.398 -6.807 421 HG3 GLN 67 HG3 GLN 67 -9.733 5.361 -9.613 422 HE21 GLN 67 HE21 GLN 67 -10.770 6.848 -10.859 423 HE22 GLN 67 HE22 GLN 67 -10.802 8.591 -10.570 424 H ASN 68 H ASN 68 -7.507 5.125 -5.670 425 HA ASN 68 HA ASN 68 -5.402 3.848 -7.358 426 HB3 ASN 68 HB3 ASN 68 -5.507 6.694 -6.281 427 HD21 ASN 68 HD21 ASN 68 -3.907 7.922 -8.126 428 HD22 ASN 68 HD22 ASN 68 -2.282 7.221 -8.099 429 H LYS 69 H LYS 69 -4.853 2.262 -5.970 430 HA LYS 69 HA LYS 69 -4.548 2.546 -3.100 431 HB3 LYS 69 HB3 LYS 69 -3.170 0.302 -3.593 432 HG3 LYS 69 HG3 LYS 69 -6.162 0.693 -3.976 433 HD3 LYS 69 HD3 LYS 69 -4.599 -1.903 -3.773 434 HE3 LYS 69 HE3 LYS 69 -7.600 -1.534 -4.104 435 HZ1 LYS 69 HZ1 LYS 69 -6.284 -4.010 -3.269 436 HZ2 LYS 69 HZ2 LYS 69 -6.233 -3.580 -4.864 437 HZ3 LYS 69 HZ3 LYS 69 -7.680 -3.796 -4.120 438 H SER 70 H SER 70 -2.366 3.173 -5.901 439 HA SER 70 HA SER 70 0.034 3.092 -4.429 440 HB3 SER 70 HB3 SER 70 0.971 3.648 -6.314 441 HG SER 70 HG SER 70 -0.385 3.385 -8.206 442 H ALA 71 H ALA 71 -2.194 5.764 -5.186 443 HA ALA 71 HA ALA 71 -0.892 7.781 -3.634 444 HB1 ALA 71 HB1 ALA 71 -3.093 8.920 -3.702 445 HB2 ALA 71 HB2 ALA 71 -2.648 8.284 -5.296 446 HB3 ALA 71 HB3 ALA 71 -3.854 7.437 -4.301 447 H PHE 72 H PHE 72 -3.476 5.424 -2.804 448 HA PHE 72 HA PHE 72 -3.988 6.234 -0.214 449 HB3 PHE 72 HB3 PHE 72 -3.933 3.324 -1.102 450 HD1 PHE 72 HD1 PHE 72 -3.597 2.927 1.465 451 HD2 PHE 72 HD2 PHE 72 -7.105 4.751 -0.283 452 HE1 PHE 72 HE1 PHE 72 -4.851 2.543 3.565 453 HE2 PHE 72 HE2 PHE 72 -8.344 4.329 1.802 454 HZ PHE 72 HZ PHE 72 -7.215 3.279 3.753 455 H LEU 73 H LEU 73 -1.431 3.892 -1.259 456 HA LEU 73 HA LEU 73 -0.519 3.262 1.345 457 HB3 LEU 73 HB3 LEU 73 0.911 3.383 -1.330 458 HG LEU 73 HG LEU 73 2.470 3.147 0.672 459 HD11 LEU 73 HD11 LEU 73 0.984 0.520 1.083 460 HD12 LEU 73 HD12 LEU 73 1.025 1.888 2.216 461 HD13 LEU 73 HD13 LEU 73 2.508 0.984 1.872 462 HD21 LEU 73 HD21 LEU 73 2.672 0.533 -0.688 463 HD22 LEU 73 HD22 LEU 73 3.837 1.879 -0.514 464 HD23 LEU 73 HD23 LEU 73 2.579 1.944 -1.727 465 H CYS 74 H CYS 74 0.437 5.807 -0.929 466 HA CYS 74 HA CYS 74 2.603 6.938 0.567 467 HB3 CYS 74 HB3 CYS 74 0.701 8.364 -1.317 468 HG CYS 74 HG CYS 74 1.739 9.956 0.605 469 H GLY 75 H GLY 75 -0.891 7.479 0.584 470 HA2 GLY 75 HA2 GLY 75 -1.213 9.427 2.515 471 HA3 GLY 75 HA3 GLY 75 -2.336 8.079 2.205 472 H VAL 76 H VAL 76 -1.262 5.850 3.150 473 HA VAL 76 HA VAL 76 -1.343 6.095 5.969 474 HB VAL 76 HB VAL 76 -0.128 3.845 4.310 475 HG11 VAL 76 HG11 VAL 76 0.493 3.724 6.751 476 HG12 VAL 76 HG12 VAL 76 -1.226 3.757 7.157 477 HG13 VAL 76 HG13 VAL 76 -0.560 2.397 6.231 478 HG21 VAL 76 HG21 VAL 76 -2.490 4.225 3.684 479 HG22 VAL 76 HG22 VAL 76 -2.338 2.734 4.616 480 HG23 VAL 76 HG23 VAL 76 -2.961 4.201 5.393 481 H MET 77 H MET 77 1.585 5.787 3.811 482 HA MET 77 HA MET 77 3.333 5.904 6.077 483 HB3 MET 77 HB3 MET 77 4.039 4.846 3.992 484 HG3 MET 77 HG3 MET 77 4.172 7.705 3.007 485 HE1 MET 77 HE1 MET 77 4.974 3.925 2.004 486 HE2 MET 77 HE2 MET 77 4.211 4.598 0.540 487 HE3 MET 77 HE3 MET 77 5.949 4.184 0.546 488 H LYS 78 H LYS 78 1.545 8.479 4.661 489 HA LYS 78 HA LYS 78 3.428 10.441 5.871 490 HB3 LYS 78 HB3 LYS 78 2.825 10.606 3.426 491 HG3 LYS 78 HG3 LYS 78 0.187 10.635 4.102 492 HD3 LYS 78 HD3 LYS 78 0.934 13.234 4.876 493 HE3 LYS 78 HE3 LYS 78 -0.472 14.569 3.220 494 HZ1 LYS 78 HZ1 LYS 78 1.232 14.902 1.618 495 HZ2 LYS 78 HZ2 LYS 78 2.073 13.545 2.084 496 HZ3 LYS 78 HZ3 LYS 78 1.914 14.820 3.088 497 H THR 79 H THR 79 0.659 8.733 6.709 498 HA THR 79 HA THR 79 -0.187 10.751 8.668 499 HB THR 79 HB THR 79 -0.843 7.809 8.180 500 HG1 THR 79 HG1 THR 79 -2.267 10.237 7.872 501 HG21 THR 79 HG21 THR 79 -2.130 9.588 10.292 502 HG22 THR 79 HG22 THR 79 -1.082 8.190 10.605 503 HG23 THR 79 HG23 THR 79 -2.641 7.960 9.823 504 H TYR 80 H TYR 80 1.415 7.509 8.859 505 HA TYR 80 HA TYR 80 1.437 7.680 11.605 506 HB3 TYR 80 HB3 TYR 80 1.651 5.683 9.977 507 HD1 TYR 80 HD1 TYR 80 3.273 6.657 8.102 508 HD2 TYR 80 HD2 TYR 80 4.564 4.796 11.768 509 HE1 TYR 80 HE1 TYR 80 5.472 6.153 7.054 510 HE2 TYR 80 HE2 TYR 80 6.733 4.201 10.693 511 HH TYR 80 HH TYR 80 7.292 4.031 7.625 512 H ARG 81 H ARG 81 4.017 8.886 9.506 513 HA ARG 81 HA ARG 81 6.111 8.739 11.432 514 HB3 ARG 81 HB3 ARG 81 7.421 10.177 10.100 515 HG3 ARG 81 HG3 ARG 81 5.506 8.873 8.129 516 HD3 ARG 81 HD3 ARG 81 8.417 9.654 7.745 517 HE ARG 81 HE ARG 81 6.317 8.517 5.996 518 HH11 ARG 81 HH11 ARG 81 9.724 9.379 6.269 519 HH12 ARG 81 HH12 ARG 81 10.085 9.437 4.572 520 HH21 ARG 81 HH21 ARG 81 6.951 7.779 3.875 521 HH22 ARG 81 HH22 ARG 81 8.553 8.067 3.293 522 H GLN 82 H GLN 82 3.312 10.961 11.333 523 HA GLN 82 HA GLN 82 4.247 13.200 12.598 524 HB3 GLN 82 HB3 GLN 82 1.661 11.576 12.418 525 HG3 GLN 82 HG3 GLN 82 1.718 13.269 14.092 526 HE21 GLN 82 HE21 GLN 82 2.164 14.616 10.820 527 HE22 GLN 82 HE22 GLN 82 2.557 16.230 11.384 528 H ARG 83 H ARG 83 2.491 10.300 13.774 529 HA ARG 83 HA ARG 83 2.901 10.981 16.545 530 HB3 ARG 83 HB3 ARG 83 0.905 9.787 15.601 531 HG3 ARG 83 HG3 ARG 83 2.699 7.313 15.749 532 HD3 ARG 83 HD3 ARG 83 -0.175 7.479 14.877 533 HE ARG 83 HE ARG 83 0.104 5.277 14.617 534 HH11 ARG 83 HH11 ARG 83 2.172 6.111 17.488 535 HH12 ARG 83 HH12 ARG 83 2.496 4.439 17.756 536 HH21 ARG 83 HH21 ARG 83 0.607 3.186 15.070 537 HH22 ARG 83 HH22 ARG 83 1.696 2.777 16.370 538 H GLU 84 H GLU 84 4.634 8.658 14.357 539 HA GLU 84 HA GLU 84 6.099 7.417 16.439 540 HB3 GLU 84 HB3 GLU 84 7.903 7.489 14.326 541 HG3 GLU 84 HG3 GLU 84 6.693 5.428 13.448 542 H LYS 85 H LYS 85 6.629 10.430 14.701 543 HA LYS 85 HA LYS 85 7.681 12.300 15.140 544 HB3 LYS 85 HB3 LYS 85 8.630 11.677 17.891 545 HG3 LYS 85 HG3 LYS 85 6.777 13.818 16.769 546 HD3 LYS 85 HD3 LYS 85 8.524 13.714 19.267 547 HE3 LYS 85 HE3 LYS 85 8.344 15.962 18.134 548 HZ1 LYS 85 HZ1 LYS 85 5.528 15.878 19.026 549 HZ2 LYS 85 HZ2 LYS 85 5.951 15.729 17.447 550 HZ3 LYS 85 HZ3 LYS 85 6.302 17.112 18.304 551 H GLN 86 H GLN 86 9.738 9.785 16.732 552 HA GLN 86 HA GLN 86 12.043 10.754 15.076 553 HB3 GLN 86 HB3 GLN 86 13.385 9.253 16.605 554 HG3 GLN 86 HG3 GLN 86 12.202 11.220 18.502 555 HE21 GLN 86 HE21 GLN 86 15.079 11.184 16.384 556 HE22 GLN 86 HE22 GLN 86 16.270 11.096 17.669 557 H GLY 87 H GLY 87 10.768 9.696 13.187 558 HA2 GLY 87 HA2 GLY 87 11.748 6.906 12.973 559 HA3 GLY 87 HA3 GLY 87 10.044 7.243 12.734 560 H THR 88 H THR 88 12.881 9.334 11.757 561 HA THR 88 HA THR 88 12.663 8.400 9.031 562 HB THR 88 HB THR 88 10.953 10.292 9.431 563 HG1 THR 88 HG1 THR 88 11.355 11.104 7.428 564 HG21 THR 88 HG21 THR 88 11.772 12.583 9.256 565 HG22 THR 88 HG22 THR 88 13.455 12.025 9.321 566 HG23 THR 88 HG23 THR 88 12.405 11.818 10.729 567 H LYS 89 H LYS 89 14.346 9.647 7.789 568 HA LYS 89 HA LYS 89 16.845 10.163 9.340 569 HB3 LYS 89 HB3 LYS 89 18.033 9.098 7.292 570 HG3 LYS 89 HG3 LYS 89 16.506 7.128 9.029 571 HD3 LYS 89 HD3 LYS 89 19.161 7.151 7.523 572 HE3 LYS 89 HE3 LYS 89 19.506 5.977 9.670 573 HZ1 LYS 89 HZ1 LYS 89 17.214 4.387 8.716 574 HZ2 LYS 89 HZ2 LYS 89 17.486 5.000 10.207 575 HZ3 LYS 89 HZ3 LYS 89 18.367 3.718 9.680 576 H VAL 90 H VAL 90 18.499 11.071 7.349 577 HA VAL 90 HA VAL 90 16.968 13.196 5.922 578 HB VAL 90 HB VAL 90 19.143 14.442 5.969 579 HG11 VAL 90 HG11 VAL 90 17.218 15.107 7.291 580 HG12 VAL 90 HG12 VAL 90 17.747 14.043 8.616 581 HG13 VAL 90 HG13 VAL 90 18.733 15.438 8.140 582 HG21 VAL 90 HG21 VAL 90 20.728 14.034 7.767 583 HG22 VAL 90 HG22 VAL 90 19.809 12.636 8.355 584 HG23 VAL 90 HG23 VAL 90 20.638 12.580 6.794 585 H ALA 91 H ALA 91 16.779 10.951 4.659 586 HA ALA 91 HA ALA 91 18.631 11.288 2.432 587 HB1 ALA 91 HB1 ALA 91 19.801 9.596 3.858 588 HB2 ALA 91 HB2 ALA 91 18.352 8.574 3.814 589 HB3 ALA 91 HB3 ALA 91 19.272 8.888 2.330 590 H ASP 92 H ASP 92 15.558 10.932 3.291 591 HA ASP 92 HA ASP 92 14.755 9.407 0.848 592 HB3 ASP 92 HB3 ASP 92 13.829 8.500 2.931 593 H SER 93 H SER 93 13.147 10.274 -0.490 594 HA SER 93 HA SER 93 11.767 12.673 0.093 595 HB3 SER 93 HB3 SER 93 13.823 13.819 -0.555 596 HG SER 93 HG SER 93 14.410 12.048 -2.216 597 H SER 94 H SER 94 9.819 12.574 -1.003 598 HA SER 94 HA SER 94 9.511 11.634 -3.601 599 HB3 SER 94 HB3 SER 94 8.169 9.780 -1.580 600 HG SER 94 HG SER 94 8.809 9.504 -4.335 601 H LYS 95 H LYS 95 7.956 13.035 -4.227 602 HA LYS 95 HA LYS 95 5.669 13.590 -2.458 603 HB3 LYS 95 HB3 LYS 95 7.438 15.298 -1.965 604 HG3 LYS 95 HG3 LYS 95 6.771 16.559 -4.639 605 HD3 LYS 95 HD3 LYS 95 9.181 16.811 -2.795 606 HE3 LYS 95 HE3 LYS 95 8.359 18.548 -5.136 607 HZ1 LYS 95 HZ1 LYS 95 10.652 19.111 -5.149 608 HZ2 LYS 95 HZ2 LYS 95 11.039 17.934 -4.091 609 HZ3 LYS 95 HZ3 LYS 95 10.163 19.231 -3.553 610 H GLY 96 H GLY 96 3.877 13.396 -3.586 611 HA2 GLY 96 HA2 GLY 96 3.250 14.955 -5.894 612 HA3 GLY 96 HA3 GLY 96 3.583 13.278 -6.356 613 HA PRO 97 HA PRO 97 -0.255 13.042 -3.388 614 HB3 PRO 97 HB3 PRO 97 -0.364 14.702 -1.798 615 HG3 PRO 97 HG3 PRO 97 0.585 16.859 -2.204 616 HD3 PRO 97 HD3 PRO 97 2.285 15.245 -2.645 617 H ASP 98 H ASP 98 -1.712 12.263 -4.777 618 HA ASP 98 HA ASP 98 -2.634 13.841 -7.122 619 HB3 ASP 98 HB3 ASP 98 -2.759 11.601 -8.279 620 H GLU 99 H GLU 99 -4.292 14.373 -5.606 621 HA GLU 99 HA GLU 99 -6.474 12.453 -5.718 622 HB3 GLU 99 HB3 GLU 99 -5.726 13.601 -3.029 623 HG3 GLU 99 HG3 GLU 99 -7.654 11.451 -4.006 624 H ALA 100 H ALA 100 -7.545 13.766 -6.890 625 HA ALA 100 HA ALA 100 -8.431 16.436 -5.897 626 HB1 ALA 100 HB1 ALA 100 -7.853 17.538 -8.011 627 HB2 ALA 100 HB2 ALA 100 -6.402 16.900 -7.227 628 HB3 ALA 100 HB3 ALA 100 -7.108 16.047 -8.621 629 H LYS 101 H LYS 101 -8.870 13.739 -8.200 630 HA LYS 101 HA LYS 101 -11.563 14.756 -8.801 631 HB3 LYS 101 HB3 LYS 101 -10.186 14.897 -10.708 632 HG3 LYS 101 HG3 LYS 101 -10.004 11.899 -10.866 633 HD3 LYS 101 HD3 LYS 101 -9.426 13.579 -12.733 634 HE3 LYS 101 HE3 LYS 101 -7.077 14.027 -10.832 635 HZ1 LYS 101 HZ1 LYS 101 -6.276 13.860 -13.052 636 HZ2 LYS 101 HZ2 LYS 101 -6.187 15.412 -12.554 637 HZ3 LYS 101 HZ3 LYS 101 -7.379 14.965 -13.614 638 H ILE 102 H ILE 102 -10.136 12.491 -7.005 639 HA ILE 102 HA ILE 102 -11.131 10.078 -7.668 640 HB ILE 102 HB ILE 102 -9.375 10.823 -6.006 641 HG13 ILE 102 HG13 ILE 102 -10.473 8.411 -6.362 642 HG21 ILE 102 HG21 ILE 102 -9.924 10.974 -3.631 643 HG22 ILE 102 HG22 ILE 102 -10.685 12.291 -4.534 644 HG23 ILE 102 HG23 ILE 102 -11.639 10.888 -3.984 645 HD11 ILE 102 HD11 ILE 102 -8.738 7.511 -4.848 646 HD12 ILE 102 HD12 ILE 102 -8.093 8.830 -5.836 647 HD13 ILE 102 HD13 ILE 102 -8.513 9.112 -4.131 648 H LYS 103 H LYS 103 -12.825 12.461 -5.688 649 HA LYS 103 HA LYS 103 -15.031 10.764 -4.957 650 HB3 LYS 103 HB3 LYS 103 -16.011 13.154 -4.455 651 HG3 LYS 103 HG3 LYS 103 -13.547 12.136 -2.975 652 HD3 LYS 103 HD3 LYS 103 -16.079 13.626 -2.164 653 HE3 LYS 103 HE3 LYS 103 -15.008 13.574 0.139 654 HZ1 LYS 103 HZ1 LYS 103 -15.756 11.361 0.648 655 HZ2 LYS 103 HZ2 LYS 103 -15.767 10.908 -0.895 656 HZ3 LYS 103 HZ3 LYS 103 -16.839 12.055 -0.349 657 H ALA 104 H ALA 104 -14.422 12.019 -7.993 658 HA ALA 104 HA ALA 104 -17.314 11.828 -8.674 659 HB1 ALA 104 HB1 ALA 104 -16.743 14.080 -9.242 660 HB2 ALA 104 HB2 ALA 104 -15.251 13.560 -10.086 661 HB3 ALA 104 HB3 ALA 104 -16.848 13.130 -10.727 662 H LEU 105 H LEU 105 -17.219 9.654 -8.828 663 HA LEU 105 HA LEU 105 -16.006 8.530 -11.158 664 HB3 LEU 105 HB3 LEU 105 -15.279 7.458 -8.376 665 HG LEU 105 HG LEU 105 -15.161 5.698 -10.116 666 HD11 LEU 105 HD11 LEU 105 -14.780 7.116 -12.123 667 HD12 LEU 105 HD12 LEU 105 -13.559 5.888 -11.976 668 HD13 LEU 105 HD13 LEU 105 -13.176 7.559 -11.504 669 HD21 LEU 105 HD21 LEU 105 -13.631 5.611 -8.264 670 HD22 LEU 105 HD22 LEU 105 -12.530 6.758 -9.038 671 HD23 LEU 105 HD23 LEU 105 -12.749 5.126 -9.717 672 H LEU 106 H LEU 106 -16.898 6.205 -11.358 673 HA LEU 106 HA LEU 106 -18.365 5.261 -9.136 674 HB3 LEU 106 HB3 LEU 106 -19.943 4.904 -11.676 675 HG LEU 106 HG LEU 106 -20.380 3.925 -9.235 676 HD11 LEU 106 HD11 LEU 106 -20.201 6.141 -8.107 677 HD12 LEU 106 HD12 LEU 106 -21.758 5.347 -7.824 678 HD13 LEU 106 HD13 LEU 106 -21.636 6.693 -8.973 679 HD21 LEU 106 HD21 LEU 106 -22.661 5.219 -10.766 680 HD22 LEU 106 HD22 LEU 106 -22.773 3.889 -9.586 681 HD23 LEU 106 HD23 LEU 106 -21.934 3.642 -11.122 682 H GLU 107 H GLU 107 -18.868 2.899 -9.474 683 HA GLU 107 HA GLU 107 -18.382 1.551 -11.838 684 HB3 GLU 107 HB3 GLU 107 -16.586 0.282 -9.840 685 HG3 GLU 107 HG3 GLU 107 -15.285 1.120 -12.305 686 H ARG 108 H ARG 108 -19.095 -0.809 -11.476 687 HA ARG 108 HA ARG 108 -19.212 -1.811 -8.903 688 HB3 ARG 108 HB3 ARG 108 -22.029 -1.720 -10.038 689 HG3 ARG 108 HG3 ARG 108 -20.740 -2.703 -7.561 690 HD3 ARG 108 HD3 ARG 108 -22.936 -0.612 -7.421 691 HE ARG 108 HE ARG 108 -23.209 -2.945 -6.029 692 HH11 ARG 108 HH11 ARG 108 -22.591 0.421 -5.149 693 HH12 ARG 108 HH12 ARG 108 -23.723 0.468 -3.845 694 HH21 ARG 108 HH21 ARG 108 -24.703 -2.938 -4.284 695 HH22 ARG 108 HH22 ARG 108 -25.090 -1.463 -3.474 696 H THR 109 H THR 109 -20.385 -4.193 -9.094 697 HA THR 109 HA THR 109 -20.959 -5.073 -11.672 698 HB THR 109 HB THR 109 -18.479 -5.238 -11.787 699 HG1 THR 109 HG1 THR 109 -19.805 -6.778 -12.775 700 HG21 THR 109 HG21 THR 109 -17.225 -6.801 -10.374 701 HG22 THR 109 HG22 THR 109 -18.678 -7.150 -9.416 702 HG23 THR 109 HG23 THR 109 -17.966 -5.530 -9.381 703 H GLY 110 H GLY 110 -22.238 -6.915 -11.408 704 HA2 GLY 110 HA2 GLY 110 -21.972 -8.816 -9.446 705 HA3 GLY 110 HA3 GLY 110 -23.235 -7.746 -8.806 706 H TYR 111 H TYR 111 -23.406 -10.571 -9.759 707 HA TYR 111 HA TYR 111 -25.880 -10.223 -11.238 708 HB3 TYR 111 HB3 TYR 111 -24.682 -12.408 -12.617 709 HD1 TYR 111 HD1 TYR 111 -27.257 -11.605 -13.006 710 HD2 TYR 111 HD2 TYR 111 -23.719 -9.640 -14.524 711 HE1 TYR 111 HE1 TYR 111 -28.612 -10.527 -14.748 712 HE2 TYR 111 HE2 TYR 111 -25.072 -8.586 -16.304 713 HH TYR 111 HH TYR 111 -28.624 -8.886 -16.425 714 H THR 112 H THR 112 -26.964 -10.975 -9.510 715 HA THR 112 HA THR 112 -26.299 -13.480 -8.182 716 HB THR 112 HB THR 112 -28.729 -11.648 -7.889 717 HG1 THR 112 HG1 THR 112 -26.089 -11.523 -6.862 718 HG21 THR 112 HG21 THR 112 -29.098 -13.687 -6.616 719 HG22 THR 112 HG22 THR 112 -28.614 -12.438 -5.492 720 HG23 THR 112 HG23 THR 112 -27.422 -13.659 -5.990 721 H LEU 113 H LEU 113 -28.624 -14.853 -7.922 722 HA LEU 113 HA LEU 113 -29.405 -15.681 -10.660 723 HB3 LEU 113 HB3 LEU 113 -30.358 -16.862 -8.071 724 HG LEU 113 HG LEU 113 -29.781 -18.062 -10.828 725 HD11 LEU 113 HD11 LEU 113 -30.583 -20.196 -9.898 726 HD12 LEU 113 HD12 LEU 113 -30.785 -19.438 -8.303 727 HD13 LEU 113 HD13 LEU 113 -29.165 -19.610 -9.018 728 HD21 LEU 113 HD21 LEU 113 -32.193 -18.691 -10.871 729 HD22 LEU 113 HD22 LEU 113 -31.958 -16.943 -10.875 730 HD23 LEU 113 HD23 LEU 113 -32.446 -17.759 -9.378 731 H ASP 114 H ASP 114 -30.131 -13.356 -10.666 732 HA ASP 114 HA ASP 114 -32.901 -13.041 -10.550 733 HB3 ASP 114 HB3 ASP 114 -31.338 -11.476 -8.456 734 H VAL 115 H VAL 115 -33.002 -12.085 -12.344 735 HA VAL 115 HA VAL 115 -30.910 -10.407 -13.557 736 HB VAL 115 HB VAL 115 -32.455 -10.327 -15.504 737 HG11 VAL 115 HG11 VAL 115 -32.023 -13.159 -14.464 738 HG12 VAL 115 HG12 VAL 115 -32.247 -12.657 -16.153 739 HG13 VAL 115 HG13 VAL 115 -30.800 -12.150 -15.265 740 HG21 VAL 115 HG21 VAL 115 -34.297 -12.169 -13.898 741 HG22 VAL 115 HG22 VAL 115 -34.637 -10.474 -14.298 742 HG23 VAL 115 HG23 VAL 115 -34.487 -11.670 -15.590 743 H THR 116 H THR 116 -33.468 -9.705 -11.349 744 HA THR 116 HA THR 116 -34.368 -7.296 -12.660 745 HB THR 116 HB THR 116 -34.915 -8.082 -9.782 746 HG1 THR 116 HG1 THR 116 -35.307 -9.941 -10.706 747 HG21 THR 116 HG21 THR 116 -35.912 -5.973 -10.623 748 HG22 THR 116 HG22 THR 116 -37.154 -7.189 -10.278 749 HG23 THR 116 HG23 THR 116 -36.674 -6.866 -11.959 750 H THR 117 H THR 117 -32.147 -8.094 -10.021 751 HA THR 117 HA THR 117 -31.955 -5.625 -8.786 752 HB THR 117 HB THR 117 -29.950 -7.899 -9.027 753 HG1 THR 117 HG1 THR 117 -31.952 -8.463 -8.084 754 HG21 THR 117 HG21 THR 117 -30.071 -5.625 -6.988 755 HG22 THR 117 HG22 THR 117 -28.778 -5.908 -8.178 756 HG23 THR 117 HG23 THR 117 -29.048 -7.072 -6.869 757 H GLY 118 H GLY 118 -31.411 -3.687 -9.584 758 HA2 GLY 118 HA2 GLY 118 -28.952 -3.320 -11.117 759 HA3 GLY 118 HA3 GLY 118 -30.467 -2.598 -11.702 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 -10.728 -12.027 7.547 2 HA2 GLY 1 HA2 GLY 1 -12.981 -10.463 6.430 3 HA3 GLY 1 HA3 GLY 1 -11.326 -9.854 6.621 4 H SER 2 H SER 2 -10.509 -9.616 4.626 5 HA SER 2 HA SER 2 -11.357 -11.230 2.391 6 HB3 SER 2 HB3 SER 2 -9.140 -9.151 2.531 7 HG SER 2 HG SER 2 -9.445 -9.010 0.463 8 H GLU 3 H GLU 3 -9.649 -11.859 0.828 9 HA GLU 3 HA GLU 3 -8.073 -14.044 1.991 10 HB3 GLU 3 HB3 GLU 3 -9.387 -14.260 -0.085 11 HG3 GLU 3 HG3 GLU 3 -7.106 -12.866 -1.546 12 H ASN 4 H ASN 4 -7.378 -10.955 0.378 13 HA ASN 4 HA ASN 4 -4.605 -11.038 0.220 14 HB3 ASN 4 HB3 ASN 4 -5.874 -9.231 -0.781 15 HD21 ASN 4 HD21 ASN 4 -5.421 -7.788 2.528 16 HD22 ASN 4 HD22 ASN 4 -7.119 -7.402 2.743 17 H PHE 5 H PHE 5 -6.501 -10.837 3.143 18 HA PHE 5 HA PHE 5 -4.489 -9.650 4.841 19 HB3 PHE 5 HB3 PHE 5 -6.865 -11.427 5.493 20 HD1 PHE 5 HD1 PHE 5 -4.655 -8.682 6.914 21 HD2 PHE 5 HD2 PHE 5 -7.294 -11.984 7.715 22 HE1 PHE 5 HE1 PHE 5 -4.254 -8.461 9.344 23 HE2 PHE 5 HE2 PHE 5 -6.952 -11.689 10.125 24 HZ PHE 5 HZ PHE 5 -5.468 -9.897 10.966 25 H GLN 6 H GLN 6 -5.603 -13.074 4.340 26 HA GLN 6 HA GLN 6 -3.491 -14.123 5.959 27 HB3 GLN 6 HB3 GLN 6 -5.119 -15.587 3.834 28 HG3 GLN 6 HG3 GLN 6 -3.238 -16.909 4.803 29 HE21 GLN 6 HE21 GLN 6 -1.974 -15.906 6.428 30 HE22 GLN 6 HE22 GLN 6 -2.403 -15.997 8.143 31 H THR 7 H THR 7 -3.731 -13.392 2.488 32 HA THR 7 HA THR 7 -1.271 -14.640 1.770 33 HB THR 7 HB THR 7 -2.971 -12.400 0.629 34 HG1 THR 7 HG1 THR 7 -3.528 -14.063 -0.791 35 HG21 THR 7 HG21 THR 7 -0.816 -11.930 -0.296 36 HG22 THR 7 HG22 THR 7 -1.758 -12.749 -1.530 37 HG23 THR 7 HG23 THR 7 -0.502 -13.652 -0.642 38 H LEU 8 H LEU 8 -1.857 -11.470 3.401 39 HA LEU 8 HA LEU 8 0.885 -10.599 2.918 40 HB3 LEU 8 HB3 LEU 8 0.329 -9.018 4.920 41 HG LEU 8 HG LEU 8 -1.077 -9.130 2.234 42 HD11 LEU 8 HD11 LEU 8 -2.703 -8.105 3.710 43 HD12 LEU 8 HD12 LEU 8 -2.016 -6.918 2.602 44 HD13 LEU 8 HD13 LEU 8 -1.492 -6.964 4.315 45 HD21 LEU 8 HD21 LEU 8 0.338 -7.132 1.821 46 HD22 LEU 8 HD22 LEU 8 1.300 -8.544 2.252 47 HD23 LEU 8 HD23 LEU 8 1.021 -7.284 3.456 48 H LEU 9 H LEU 9 -0.785 -12.313 5.621 49 HA LEU 9 HA LEU 9 1.329 -12.604 7.382 50 HB3 LEU 9 HB3 LEU 9 -0.054 -14.953 7.590 51 HG LEU 9 HG LEU 9 -1.736 -14.008 8.883 52 HD11 LEU 9 HD11 LEU 9 0.671 -14.218 9.696 53 HD12 LEU 9 HD12 LEU 9 -0.365 -13.159 10.627 54 HD13 LEU 9 HD13 LEU 9 0.817 -12.465 9.488 55 HD21 LEU 9 HD21 LEU 9 -0.868 -11.311 7.875 56 HD22 LEU 9 HD22 LEU 9 -2.056 -11.607 9.176 57 HD23 LEU 9 HD23 LEU 9 -2.386 -12.198 7.552 58 H ASP 10 H ASP 10 1.012 -14.018 4.277 59 HA ASP 10 HA ASP 10 2.935 -16.219 4.848 60 HB3 ASP 10 HB3 ASP 10 0.688 -15.943 2.830 61 H ALA 11 H ALA 11 2.608 -13.307 3.181 62 HA ALA 11 HA ALA 11 4.319 -13.931 0.899 63 HB1 ALA 11 HB1 ALA 11 3.137 -11.401 2.086 64 HB2 ALA 11 HB2 ALA 11 4.110 -11.442 0.590 65 HB3 ALA 11 HB3 ALA 11 2.580 -12.334 0.674 66 H GLY 12 H GLY 12 4.995 -13.539 4.192 67 HA2 GLY 12 HA2 GLY 12 7.375 -13.614 4.739 68 HA3 GLY 12 HA3 GLY 12 7.595 -12.188 3.721 69 H LEU 13 H LEU 13 4.617 -11.725 5.319 70 HA LEU 13 HA LEU 13 6.061 -9.787 7.059 71 HB3 LEU 13 HB3 LEU 13 4.237 -8.220 6.558 72 HG LEU 13 HG LEU 13 4.815 -7.445 4.511 73 HD11 LEU 13 HD11 LEU 13 7.286 -9.154 4.970 74 HD12 LEU 13 HD12 LEU 13 6.848 -7.820 6.045 75 HD13 LEU 13 HD13 LEU 13 7.186 -7.513 4.351 76 HD21 LEU 13 HD21 LEU 13 4.058 -9.372 3.167 77 HD22 LEU 13 HD22 LEU 13 5.628 -10.158 3.440 78 HD23 LEU 13 HD23 LEU 13 5.546 -8.616 2.583 79 HA PRO 14 HA PRO 14 3.760 -11.221 10.452 80 HB3 PRO 14 HB3 PRO 14 5.275 -9.860 11.651 81 HG3 PRO 14 HG3 PRO 14 5.679 -7.598 11.056 82 HD3 PRO 14 HD3 PRO 14 6.322 -9.081 9.281 83 H GLN 15 H GLN 15 1.844 -10.962 11.729 84 HA GLN 15 HA GLN 15 -0.489 -10.281 10.284 85 HB3 GLN 15 HB3 GLN 15 -0.356 -10.472 13.322 86 HG3 GLN 15 HG3 GLN 15 -2.531 -10.214 11.540 87 HE21 GLN 15 HE21 GLN 15 -4.148 -11.580 10.622 88 HE22 GLN 15 HE22 GLN 15 -4.190 -13.291 10.881 89 H LYS 16 H LYS 16 1.199 -8.545 12.951 90 HA LYS 16 HA LYS 16 -0.648 -6.457 13.295 91 HB3 LYS 16 HB3 LYS 16 1.231 -6.802 14.845 92 HG3 LYS 16 HG3 LYS 16 2.961 -5.894 12.514 93 HD3 LYS 16 HD3 LYS 16 3.691 -4.993 14.759 94 HE3 LYS 16 HE3 LYS 16 5.420 -6.628 15.767 95 HZ1 LYS 16 HZ1 LYS 16 4.023 -7.302 17.461 96 HZ2 LYS 16 HZ2 LYS 16 2.666 -7.268 16.539 97 HZ3 LYS 16 HZ3 LYS 16 3.472 -5.846 16.963 98 H VAL 17 H VAL 17 1.675 -6.804 10.671 99 HA VAL 17 HA VAL 17 1.215 -4.070 9.762 100 HB VAL 17 HB VAL 17 2.623 -6.558 8.657 101 HG11 VAL 17 HG11 VAL 17 1.806 -5.548 6.646 102 HG12 VAL 17 HG12 VAL 17 2.337 -3.926 7.179 103 HG13 VAL 17 HG13 VAL 17 3.519 -5.191 6.802 104 HG21 VAL 17 HG21 VAL 17 3.595 -3.859 9.657 105 HG22 VAL 17 HG22 VAL 17 3.791 -5.414 10.463 106 HG23 VAL 17 HG23 VAL 17 4.625 -5.120 8.933 107 H ALA 18 H ALA 18 0.278 -7.384 8.631 108 HA ALA 18 HA ALA 18 -1.422 -6.664 6.583 109 HB1 ALA 18 HB1 ALA 18 -2.397 -8.854 6.856 110 HB2 ALA 18 HB2 ALA 18 -0.678 -8.970 7.225 111 HB3 ALA 18 HB3 ALA 18 -1.866 -8.948 8.547 112 H GLU 19 H GLU 19 -2.196 -6.742 10.076 113 HA GLU 19 HA GLU 19 -4.977 -6.416 9.968 114 HB3 GLU 19 HB3 GLU 19 -4.688 -5.310 12.227 115 HG3 GLU 19 HG3 GLU 19 -2.914 -7.617 12.571 116 H LYS 20 H LYS 20 -2.529 -3.974 9.407 117 HA LYS 20 HA LYS 20 -4.680 -1.877 9.433 118 HB3 LYS 20 HB3 LYS 20 -2.714 -0.295 9.331 119 HG3 LYS 20 HG3 LYS 20 -4.115 -0.811 11.278 120 HD3 LYS 20 HD3 LYS 20 -1.712 -2.105 12.606 121 HE3 LYS 20 HE3 LYS 20 -3.412 -2.782 14.212 122 HZ1 LYS 20 HZ1 LYS 20 -2.807 -0.365 14.392 123 HZ2 LYS 20 HZ2 LYS 20 -4.348 -0.701 14.898 124 HZ3 LYS 20 HZ3 LYS 20 -4.119 -0.008 13.457 125 H LEU 21 H LEU 21 -2.792 -3.727 7.295 126 HA LEU 21 HA LEU 21 -2.873 -1.865 5.021 127 HB3 LEU 21 HB3 LEU 21 -1.884 -4.714 5.470 128 HG LEU 21 HG LEU 21 -2.185 -4.627 3.128 129 HD11 LEU 21 HD11 LEU 21 -1.050 -2.812 1.727 130 HD12 LEU 21 HD12 LEU 21 -0.957 -1.856 3.211 131 HD13 LEU 21 HD13 LEU 21 -2.531 -2.337 2.533 132 HD21 LEU 21 HD21 LEU 21 0.697 -3.756 3.618 133 HD22 LEU 21 HD22 LEU 21 0.085 -4.876 2.392 134 HD23 LEU 21 HD23 LEU 21 0.079 -5.328 4.109 135 H ASP 22 H ASP 22 -4.515 -4.847 6.146 136 HA ASP 22 HA ASP 22 -5.855 -5.620 3.839 137 HB3 ASP 22 HB3 ASP 22 -6.659 -5.607 6.757 138 H GLU 23 H GLU 23 -6.853 -3.111 6.201 139 HA GLU 23 HA GLU 23 -9.379 -2.620 5.159 140 HB3 GLU 23 HB3 GLU 23 -7.802 -0.337 6.332 141 HG3 GLU 23 HG3 GLU 23 -10.424 -1.728 7.019 142 H ILE 24 H ILE 24 -6.315 -1.718 3.785 143 HA ILE 24 HA ILE 24 -7.211 0.558 2.209 144 HB ILE 24 HB ILE 24 -4.732 -1.222 1.994 145 HG13 ILE 24 HG13 ILE 24 -4.924 -0.056 4.212 146 HG21 ILE 24 HG21 ILE 24 -5.043 1.569 0.879 147 HG22 ILE 24 HG22 ILE 24 -3.691 0.435 0.663 148 HG23 ILE 24 HG23 ILE 24 -5.239 0.084 -0.085 149 HD11 ILE 24 HD11 ILE 24 -2.863 1.121 4.337 150 HD12 ILE 24 HD12 ILE 24 -2.630 -0.238 3.246 151 HD13 ILE 24 HD13 ILE 24 -2.820 1.398 2.585 152 H TYR 25 H TYR 25 -6.777 -2.968 1.796 153 HA TYR 25 HA TYR 25 -7.300 -2.977 -1.066 154 HB3 TYR 25 HB3 TYR 25 -7.735 -5.474 -0.565 155 HD1 TYR 25 HD1 TYR 25 -4.820 -4.347 1.474 156 HD2 TYR 25 HD2 TYR 25 -6.216 -5.695 -2.379 157 HE1 TYR 25 HE1 TYR 25 -2.469 -4.650 0.735 158 HE2 TYR 25 HE2 TYR 25 -3.870 -5.964 -3.137 159 HH TYR 25 HH TYR 25 -1.058 -5.096 -1.113 160 H VAL 26 H VAL 26 -9.313 -3.152 1.792 161 HA VAL 26 HA VAL 26 -11.599 -4.338 0.383 162 HB VAL 26 HB VAL 26 -11.166 -3.245 3.208 163 HG11 VAL 26 HG11 VAL 26 -13.534 -3.017 2.739 164 HG12 VAL 26 HG12 VAL 26 -13.583 -4.630 2.012 165 HG13 VAL 26 HG13 VAL 26 -13.316 -4.443 3.764 166 HG21 VAL 26 HG21 VAL 26 -11.496 -6.116 2.218 167 HG22 VAL 26 HG22 VAL 26 -9.952 -5.379 2.692 168 HG23 VAL 26 HG23 VAL 26 -11.221 -5.575 3.897 169 H ALA 27 H ALA 27 -10.538 -1.169 1.651 170 HA ALA 27 HA ALA 27 -13.077 0.062 0.981 171 HB1 ALA 27 HB1 ALA 27 -11.817 0.659 3.028 172 HB2 ALA 27 HB2 ALA 27 -10.491 1.267 2.006 173 HB3 ALA 27 HB3 ALA 27 -12.089 2.058 1.974 174 H GLY 28 H GLY 28 -11.168 -1.111 -1.139 175 HA2 GLY 28 HA2 GLY 28 -10.873 -0.722 -3.344 176 HA3 GLY 28 HA3 GLY 28 -11.948 0.669 -3.140 177 H LEU 29 H LEU 29 -9.026 0.786 -1.230 178 HA LEU 29 HA LEU 29 -8.167 3.149 -2.781 179 HB3 LEU 29 HB3 LEU 29 -6.204 3.133 -1.201 180 HG LEU 29 HG LEU 29 -8.828 2.993 0.327 181 HD11 LEU 29 HD11 LEU 29 -6.136 4.337 0.871 182 HD12 LEU 29 HD12 LEU 29 -6.830 2.946 1.747 183 HD13 LEU 29 HD13 LEU 29 -7.578 4.542 1.872 184 HD21 LEU 29 HD21 LEU 29 -9.130 4.638 -1.453 185 HD22 LEU 29 HD22 LEU 29 -7.547 5.372 -1.104 186 HD23 LEU 29 HD23 LEU 29 -8.875 5.487 0.066 187 H VAL 30 H VAL 30 -7.647 -0.244 -3.020 188 HA VAL 30 HA VAL 30 -5.671 0.347 -5.111 189 HB VAL 30 HB VAL 30 -4.689 -1.951 -4.666 190 HG11 VAL 30 HG11 VAL 30 -2.967 -1.050 -3.194 191 HG12 VAL 30 HG12 VAL 30 -3.500 0.228 -4.281 192 HG13 VAL 30 HG13 VAL 30 -4.070 0.231 -2.607 193 HG21 VAL 30 HG21 VAL 30 -4.616 -2.776 -2.379 194 HG22 VAL 30 HG22 VAL 30 -5.729 -1.503 -1.842 195 HG23 VAL 30 HG23 VAL 30 -6.277 -2.754 -2.984 196 H ALA 31 H ALA 31 -5.584 -1.149 -6.746 197 HA ALA 31 HA ALA 31 -8.057 -2.538 -7.358 198 HB1 ALA 31 HB1 ALA 31 -7.043 -0.812 -8.892 199 HB2 ALA 31 HB2 ALA 31 -5.586 -1.853 -9.007 200 HB3 ALA 31 HB3 ALA 31 -7.138 -2.402 -9.674 201 H HIS 32 H HIS 32 -6.339 -3.871 -5.491 202 HA HIS 32 HA HIS 32 -5.353 -5.796 -5.006 203 HB3 HIS 32 HB3 HIS 32 -6.066 -6.965 -7.714 204 HD1 HIS 32 HD1 HIS 32 -7.093 -9.634 -7.102 205 HD2 HIS 32 HD2 HIS 32 -4.351 -7.739 -4.482 206 HE1 HIS 32 HE1 HIS 32 -6.192 -11.426 -5.544 207 H SER 33 H SER 33 -4.403 -5.761 -8.538 208 HA SER 33 HA SER 33 -1.641 -6.077 -7.660 209 HB3 SER 33 HB3 SER 33 -2.621 -6.015 -10.536 210 HG SER 33 HG SER 33 -0.520 -6.141 -10.713 211 H ASP 34 H ASP 34 -2.707 -3.633 -6.954 212 HA ASP 34 HA ASP 34 -1.906 -1.541 -8.837 213 HB3 ASP 34 HB3 ASP 34 -2.351 -0.724 -6.049 214 H LEU 35 H LEU 35 -0.096 -3.574 -6.898 215 HA LEU 35 HA LEU 35 1.932 -1.623 -6.067 216 HB3 LEU 35 HB3 LEU 35 2.999 -3.758 -5.179 217 HG LEU 35 HG LEU 35 1.490 -4.164 -3.328 218 HD11 LEU 35 HD11 LEU 35 1.819 -1.192 -3.884 219 HD12 LEU 35 HD12 LEU 35 3.043 -2.288 -3.201 220 HD13 LEU 35 HD13 LEU 35 1.570 -1.937 -2.297 221 HD21 LEU 35 HD21 LEU 35 -0.614 -3.122 -2.951 222 HD22 LEU 35 HD22 LEU 35 -0.697 -3.921 -4.517 223 HD23 LEU 35 HD23 LEU 35 -0.487 -2.150 -4.417 224 H ASP 36 H ASP 36 4.161 -2.033 -6.798 225 HA ASP 36 HA ASP 36 4.397 -3.282 -9.494 226 HB3 ASP 36 HB3 ASP 36 6.582 -1.888 -9.519 227 H GLU 37 H GLU 37 6.625 -4.223 -9.719 228 HA GLU 37 HA GLU 37 7.190 -6.232 -7.784 229 HB3 GLU 37 HB3 GLU 37 8.943 -4.925 -9.911 230 HG3 GLU 37 HG3 GLU 37 8.982 -7.800 -8.961 231 H ARG 38 H ARG 38 8.533 -3.047 -8.403 232 HA ARG 38 HA ARG 38 10.617 -3.116 -6.461 233 HB3 ARG 38 HB3 ARG 38 10.856 -0.723 -6.884 234 HG3 ARG 38 HG3 ARG 38 10.005 -1.330 -9.649 235 HD3 ARG 38 HD3 ARG 38 12.418 -1.088 -10.132 236 HE ARG 38 HE ARG 38 10.946 1.039 -9.237 237 HH11 ARG 38 HH11 ARG 38 14.314 0.124 -8.551 238 HH12 ARG 38 HH12 ARG 38 14.879 1.737 -8.355 239 HH21 ARG 38 HH21 ARG 38 11.664 3.188 -8.966 240 HH22 ARG 38 HH22 ARG 38 13.277 3.528 -8.464 241 H ALA 39 H ALA 39 7.225 -2.716 -5.955 242 HA ALA 39 HA ALA 39 7.647 -1.204 -3.428 243 HB1 ALA 39 HB1 ALA 39 5.236 -1.370 -3.122 244 HB2 ALA 39 HB2 ALA 39 5.640 -0.579 -4.625 245 HB3 ALA 39 HB3 ALA 39 5.081 -2.283 -4.646 246 H ILE 40 H ILE 40 6.814 -4.501 -4.634 247 HA ILE 40 HA ILE 40 6.353 -5.623 -2.071 248 HB ILE 40 HB ILE 40 7.320 -6.975 -4.621 249 HG13 ILE 40 HG13 ILE 40 4.912 -7.539 -4.939 250 HG21 ILE 40 HG21 ILE 40 6.224 -9.023 -3.728 251 HG22 ILE 40 HG22 ILE 40 7.608 -8.514 -2.769 252 HG23 ILE 40 HG23 ILE 40 5.958 -8.190 -2.184 253 HD11 ILE 40 HD11 ILE 40 4.308 -5.292 -2.975 254 HD12 ILE 40 HD12 ILE 40 3.164 -6.158 -4.012 255 HD13 ILE 40 HD13 ILE 40 3.970 -7.019 -2.694 256 H GLU 41 H GLU 41 9.393 -5.378 -3.956 257 HA GLU 41 HA GLU 41 11.060 -6.881 -2.172 258 HB3 GLU 41 HB3 GLU 41 12.831 -5.222 -3.209 259 HG3 GLU 41 HG3 GLU 41 12.330 -6.099 -5.633 260 H ALA 42 H ALA 42 10.225 -3.396 -2.164 261 HA ALA 42 HA ALA 42 12.023 -2.845 0.068 262 HB1 ALA 42 HB1 ALA 42 11.021 -0.647 0.055 263 HB2 ALA 42 HB2 ALA 42 11.408 -1.129 -1.602 264 HB3 ALA 42 HB3 ALA 42 9.720 -1.188 -1.039 265 H LEU 43 H LEU 43 8.551 -3.471 -0.345 266 HA LEU 43 HA LEU 43 7.816 -3.209 2.432 267 HB3 LEU 43 HB3 LEU 43 5.648 -4.286 1.556 268 HG LEU 43 HG LEU 43 6.749 -1.833 0.181 269 HD11 LEU 43 HD11 LEU 43 4.926 -3.007 -1.113 270 HD12 LEU 43 HD12 LEU 43 4.614 -1.345 -0.623 271 HD13 LEU 43 HD13 LEU 43 3.848 -2.696 0.267 272 HD21 LEU 43 HD21 LEU 43 4.836 -2.174 2.535 273 HD22 LEU 43 HD22 LEU 43 5.203 -0.631 1.739 274 HD23 LEU 43 HD23 LEU 43 6.476 -1.499 2.606 275 H LYS 44 H LYS 44 9.999 -5.229 1.680 276 HA LYS 44 HA LYS 44 8.788 -7.680 2.821 277 HB3 LYS 44 HB3 LYS 44 11.595 -7.460 1.679 278 HG3 LYS 44 HG3 LYS 44 10.522 -9.551 2.948 279 HD3 LYS 44 HD3 LYS 44 9.619 -11.202 1.449 280 HE3 LYS 44 HE3 LYS 44 8.009 -9.274 2.364 281 HZ1 LYS 44 HZ1 LYS 44 6.720 -8.338 0.596 282 HZ2 LYS 44 HZ2 LYS 44 7.419 -9.295 -0.519 283 HZ3 LYS 44 HZ3 LYS 44 8.247 -8.013 0.125 284 H GLU 45 H GLU 45 11.452 -5.374 3.182 285 HA GLU 45 HA GLU 45 12.067 -6.590 5.841 286 HB3 GLU 45 HB3 GLU 45 13.836 -7.088 4.429 287 HG3 GLU 45 HG3 GLU 45 13.600 -4.269 3.327 288 H PHE 46 H PHE 46 10.439 -5.235 6.803 289 HA PHE 46 HA PHE 46 11.591 -2.621 7.622 290 HB3 PHE 46 HB3 PHE 46 9.776 -1.835 6.475 291 HD1 PHE 46 HD1 PHE 46 8.215 -4.699 8.436 292 HD2 PHE 46 HD2 PHE 46 8.189 -2.315 4.830 293 HE1 PHE 46 HE1 PHE 46 6.357 -6.039 7.570 294 HE2 PHE 46 HE2 PHE 46 6.248 -3.659 4.003 295 HZ PHE 46 HZ PHE 46 5.352 -5.492 5.347 296 H ASN 47 H ASN 47 10.821 -2.053 9.861 297 HA ASN 47 HA ASN 47 10.812 -4.358 11.688 298 HB3 ASN 47 HB3 ASN 47 12.235 -2.409 12.247 299 HD21 ASN 47 HD21 ASN 47 10.471 -0.565 14.185 300 HD22 ASN 47 HD22 ASN 47 10.187 0.790 13.106 301 H GLU 48 H GLU 48 9.262 -3.900 13.608 302 HA GLU 48 HA GLU 48 6.584 -4.292 12.923 303 HB3 GLU 48 HB3 GLU 48 7.977 -3.353 15.436 304 HG3 GLU 48 HG3 GLU 48 5.011 -3.315 14.941 305 H ASP 49 H ASP 49 8.086 -1.251 14.015 306 HA ASP 49 HA ASP 49 5.633 0.255 13.629 307 HB3 ASP 49 HB3 ASP 49 8.303 1.380 14.321 308 H GLY 50 H GLY 50 7.633 -0.796 11.359 309 HA2 GLY 50 HA2 GLY 50 8.316 1.695 9.972 310 HA3 GLY 50 HA3 GLY 50 8.712 0.049 9.459 311 H ALA 51 H ALA 51 6.716 -1.315 8.888 312 HA ALA 51 HA ALA 51 5.557 -0.230 6.555 313 HB1 ALA 51 HB1 ALA 51 4.355 -2.463 8.219 314 HB2 ALA 51 HB2 ALA 51 4.171 -2.189 6.477 315 HB3 ALA 51 HB3 ALA 51 5.740 -2.668 7.153 316 H LEU 52 H LEU 52 4.231 -0.556 9.849 317 HA LEU 52 HA LEU 52 1.622 0.292 9.370 318 HB3 LEU 52 HB3 LEU 52 1.805 0.999 11.908 319 HG LEU 52 HG LEU 52 2.404 -1.813 10.908 320 HD11 LEU 52 HD11 LEU 52 1.920 -2.718 13.125 321 HD12 LEU 52 HD12 LEU 52 1.802 -1.074 13.798 322 HD13 LEU 52 HD13 LEU 52 3.348 -1.670 13.198 323 HD21 LEU 52 HD21 LEU 52 -0.075 -0.650 12.270 324 HD22 LEU 52 HD22 LEU 52 0.089 -2.206 11.437 325 HD23 LEU 52 HD23 LEU 52 0.144 -0.715 10.516 326 H ALA 53 H ALA 53 4.494 2.222 9.942 327 HA ALA 53 HA ALA 53 3.075 4.726 10.385 328 HB1 ALA 53 HB1 ALA 53 5.352 5.691 10.324 329 HB2 ALA 53 HB2 ALA 53 5.277 4.274 11.396 330 HB3 ALA 53 HB3 ALA 53 6.017 4.131 9.791 331 H VAL 54 H VAL 54 4.572 3.019 7.730 332 HA VAL 54 HA VAL 54 4.557 5.213 5.837 333 HB VAL 54 HB VAL 54 4.852 2.169 5.614 334 HG11 VAL 54 HG11 VAL 54 3.974 3.093 3.452 335 HG12 VAL 54 HG12 VAL 54 5.426 4.110 3.367 336 HG13 VAL 54 HG13 VAL 54 5.570 2.337 3.343 337 HG21 VAL 54 HG21 VAL 54 7.221 2.729 5.144 338 HG22 VAL 54 HG22 VAL 54 6.813 4.460 5.340 339 HG23 VAL 54 HG23 VAL 54 6.718 3.366 6.712 340 H LEU 55 H LEU 55 2.607 2.291 6.294 341 HA LEU 55 HA LEU 55 0.851 2.823 4.123 342 HB3 LEU 55 HB3 LEU 55 -0.462 0.970 5.326 343 HG LEU 55 HG LEU 55 2.468 0.503 4.617 344 HD11 LEU 55 HD11 LEU 55 0.241 -1.492 5.197 345 HD12 LEU 55 HD12 LEU 55 1.746 -1.272 6.085 346 HD13 LEU 55 HD13 LEU 55 1.807 -1.901 4.437 347 HD21 LEU 55 HD21 LEU 55 1.216 1.262 2.684 348 HD22 LEU 55 HD22 LEU 55 -0.124 0.188 3.057 349 HD23 LEU 55 HD23 LEU 55 1.436 -0.482 2.529 350 H GLN 56 H GLN 56 0.822 3.872 7.485 351 HA GLN 56 HA GLN 56 -1.899 4.602 7.635 352 HB3 GLN 56 HB3 GLN 56 -0.591 6.606 9.056 353 HG3 GLN 56 HG3 GLN 56 -0.912 5.285 11.034 354 HE21 GLN 56 HE21 GLN 56 -2.648 6.885 9.732 355 HE22 GLN 56 HE22 GLN 56 -4.131 6.077 9.279 356 H GLN 57 H GLN 57 0.843 6.648 6.813 357 HA GLN 57 HA GLN 57 -0.528 8.888 5.777 358 HB3 GLN 57 HB3 GLN 57 1.610 9.188 4.407 359 HG3 GLN 57 HG3 GLN 57 3.020 9.477 6.435 360 HE21 GLN 57 HE21 GLN 57 2.748 11.562 5.571 361 HE22 GLN 57 HE22 GLN 57 1.443 12.605 6.167 362 H PHE 58 H PHE 58 0.425 5.824 4.103 363 HA PHE 58 HA PHE 58 -0.403 6.646 1.560 364 HB3 PHE 58 HB3 PHE 58 -0.474 3.852 2.734 365 HD1 PHE 58 HD1 PHE 58 -2.600 3.339 1.403 366 HD2 PHE 58 HD2 PHE 58 1.086 4.588 -0.468 367 HE1 PHE 58 HE1 PHE 58 -3.409 2.481 -0.785 368 HE2 PHE 58 HE2 PHE 58 0.280 3.711 -2.623 369 HZ PHE 58 HZ PHE 58 -1.961 2.632 -2.787 370 H LYS 59 H LYS 59 -2.388 5.175 4.140 371 HA LYS 59 HA LYS 59 -4.837 5.010 2.671 372 HB3 LYS 59 HB3 LYS 59 -5.965 5.208 4.858 373 HG3 LYS 59 HG3 LYS 59 -3.763 3.287 4.425 374 HD3 LYS 59 HD3 LYS 59 -3.892 4.124 7.069 375 HE3 LYS 59 HE3 LYS 59 -5.805 1.801 6.642 376 HZ1 LYS 59 HZ1 LYS 59 -4.304 1.139 8.334 377 HZ2 LYS 59 HZ2 LYS 59 -5.691 1.572 9.045 378 HZ3 LYS 59 HZ3 LYS 59 -4.407 2.605 9.124 379 H ASP 60 H ASP 60 -3.252 7.739 4.278 380 HA ASP 60 HA ASP 60 -5.551 9.531 3.712 381 HB3 ASP 60 HB3 ASP 60 -3.052 9.953 5.383 382 H SER 61 H SER 61 -4.714 8.745 1.384 383 HA SER 61 HA SER 61 -3.234 11.128 0.492 384 HB3 SER 61 HB3 SER 61 -1.990 9.767 -1.187 385 HG SER 61 HG SER 61 -1.636 9.289 1.588 386 H ASP 62 H ASP 62 -3.423 11.615 -1.534 387 HA ASP 62 HA ASP 62 -5.986 11.744 -2.709 388 HB3 ASP 62 HB3 ASP 62 -5.070 13.783 -2.877 389 H LEU 63 H LEU 63 -5.587 9.244 -2.811 390 HA LEU 63 HA LEU 63 -4.090 8.299 -5.076 391 HB3 LEU 63 HB3 LEU 63 -4.953 6.093 -4.512 392 HG LEU 63 HG LEU 63 -3.961 7.700 -2.144 393 HD11 LEU 63 HD11 LEU 63 -3.488 5.511 -1.079 394 HD12 LEU 63 HD12 LEU 63 -4.383 4.683 -2.381 395 HD13 LEU 63 HD13 LEU 63 -5.215 5.801 -1.270 396 HD21 LEU 63 HD21 LEU 63 -1.859 6.432 -2.653 397 HD22 LEU 63 HD22 LEU 63 -2.377 7.449 -3.991 398 HD23 LEU 63 HD23 LEU 63 -2.652 5.696 -4.055 399 H SER 64 H SER 64 -6.080 10.180 -5.827 400 HA SER 64 HA SER 64 -7.783 8.555 -7.672 401 HB3 SER 64 HB3 SER 64 -9.483 10.302 -7.492 402 HG SER 64 HG SER 64 -10.252 9.590 -5.679 403 H HIS 65 H HIS 65 -5.133 10.794 -7.574 404 HA HIS 65 HA HIS 65 -5.641 11.235 -10.474 405 HB3 HIS 65 HB3 HIS 65 -5.903 13.331 -9.286 406 HD1 HIS 65 HD1 HIS 65 -5.242 14.137 -6.749 407 HD2 HIS 65 HD2 HIS 65 -2.057 13.372 -9.416 408 HE1 HIS 65 HE1 HIS 65 -3.169 14.981 -5.627 409 H VAL 66 H VAL 66 -4.099 9.281 -8.629 410 HA VAL 66 HA VAL 66 -1.365 9.290 -9.688 411 HB VAL 66 HB VAL 66 -1.768 8.865 -7.301 412 HG11 VAL 66 HG11 VAL 66 -3.040 6.997 -6.451 413 HG12 VAL 66 HG12 VAL 66 -4.063 8.140 -7.348 414 HG13 VAL 66 HG13 VAL 66 -3.605 6.597 -8.079 415 HG21 VAL 66 HG21 VAL 66 -0.642 6.738 -7.003 416 HG22 VAL 66 HG22 VAL 66 -1.171 6.185 -8.591 417 HG23 VAL 66 HG23 VAL 66 0.018 7.502 -8.460 418 H GLN 67 H GLN 67 -0.675 7.840 -11.263 419 HA GLN 67 HA GLN 67 -2.685 5.994 -12.418 420 HB3 GLN 67 HB3 GLN 67 -0.906 5.348 -13.983 421 HG3 GLN 67 HG3 GLN 67 -1.105 8.392 -14.001 422 HE21 GLN 67 HE21 GLN 67 -1.607 5.466 -16.088 423 HE22 GLN 67 HE22 GLN 67 -0.573 6.028 -17.398 424 H ASN 68 H ASN 68 0.498 6.040 -10.798 425 HA ASN 68 HA ASN 68 0.440 3.104 -10.421 426 HB3 ASN 68 HB3 ASN 68 2.727 5.077 -10.249 427 HD21 ASN 68 HD21 ASN 68 4.831 3.836 -10.494 428 HD22 ASN 68 HD22 ASN 68 4.940 2.176 -9.892 429 H LYS 69 H LYS 69 -0.689 2.722 -8.526 430 HA LYS 69 HA LYS 69 -0.633 4.370 -6.154 431 HB3 LYS 69 HB3 LYS 69 -1.040 1.821 -5.188 432 HG3 LYS 69 HG3 LYS 69 -2.696 3.542 -4.844 433 HD3 LYS 69 HD3 LYS 69 -3.376 3.171 -7.786 434 HE3 LYS 69 HE3 LYS 69 -5.301 4.860 -6.898 435 HZ1 LYS 69 HZ1 LYS 69 -6.756 2.866 -6.677 436 HZ2 LYS 69 HZ2 LYS 69 -5.421 1.916 -6.927 437 HZ3 LYS 69 HZ3 LYS 69 -5.911 2.975 -8.071 438 H SER 70 H SER 70 1.436 1.640 -7.251 439 HA SER 70 HA SER 70 2.743 1.238 -4.819 440 HB3 SER 70 HB3 SER 70 2.708 -0.045 -7.089 441 HG SER 70 HG SER 70 3.691 1.239 -8.433 442 H ALA 71 H ALA 71 3.362 3.719 -7.285 443 HA ALA 71 HA ALA 71 5.908 4.509 -6.110 444 HB1 ALA 71 HB1 ALA 71 4.164 5.838 -8.221 445 HB2 ALA 71 HB2 ALA 71 5.808 6.325 -7.754 446 HB3 ALA 71 HB3 ALA 71 5.558 4.751 -8.495 447 H PHE 72 H PHE 72 2.492 5.443 -5.714 448 HA PHE 72 HA PHE 72 3.082 7.738 -4.050 449 HB3 PHE 72 HB3 PHE 72 0.648 6.220 -3.364 450 HD1 PHE 72 HD1 PHE 72 1.824 8.630 -1.986 451 HD2 PHE 72 HD2 PHE 72 -0.693 8.406 -5.471 452 HE1 PHE 72 HE1 PHE 72 0.948 10.866 -1.500 453 HE2 PHE 72 HE2 PHE 72 -1.592 10.655 -4.967 454 HZ PHE 72 HZ PHE 72 -0.779 11.884 -2.969 455 H LEU 73 H LEU 73 3.300 4.164 -3.581 456 HA LEU 73 HA LEU 73 3.502 4.533 -0.693 457 HB3 LEU 73 HB3 LEU 73 3.882 2.089 -2.472 458 HG LEU 73 HG LEU 73 4.674 1.442 -0.316 459 HD11 LEU 73 HD11 LEU 73 3.336 1.732 1.741 460 HD12 LEU 73 HD12 LEU 73 2.190 2.763 0.865 461 HD13 LEU 73 HD13 LEU 73 3.868 3.300 1.096 462 HD21 LEU 73 HD21 LEU 73 3.012 -0.024 -1.455 463 HD22 LEU 73 HD22 LEU 73 1.702 0.794 -0.591 464 HD23 LEU 73 HD23 LEU 73 2.880 -0.163 0.313 465 H CYS 74 H CYS 74 5.633 4.333 -3.502 466 HA CYS 74 HA CYS 74 7.945 3.529 -2.064 467 HB3 CYS 74 HB3 CYS 74 7.512 3.309 -4.582 468 HG CYS 74 HG CYS 74 8.955 6.292 -4.402 469 H GLY 75 H GLY 75 6.599 6.760 -2.747 470 HA2 GLY 75 HA2 GLY 75 9.026 8.152 -2.018 471 HA3 GLY 75 HA3 GLY 75 7.441 8.872 -2.241 472 H VAL 76 H VAL 76 5.841 7.560 -0.309 473 HA VAL 76 HA VAL 76 6.688 8.951 1.987 474 HB VAL 76 HB VAL 76 4.372 8.606 1.590 475 HG11 VAL 76 HG11 VAL 76 4.727 5.673 2.125 476 HG12 VAL 76 HG12 VAL 76 3.187 6.556 2.009 477 HG13 VAL 76 HG13 VAL 76 4.259 6.434 0.599 478 HG21 VAL 76 HG21 VAL 76 5.055 7.139 4.154 479 HG22 VAL 76 HG22 VAL 76 5.312 8.887 3.941 480 HG23 VAL 76 HG23 VAL 76 3.685 8.222 3.787 481 H MET 77 H MET 77 7.080 5.443 1.201 482 HA MET 77 HA MET 77 8.204 4.805 3.742 483 HB3 MET 77 HB3 MET 77 7.373 3.122 2.091 484 HG3 MET 77 HG3 MET 77 10.075 3.691 0.827 485 HE1 MET 77 HE1 MET 77 7.286 0.668 1.276 486 HE2 MET 77 HE2 MET 77 6.938 1.684 -0.154 487 HE3 MET 77 HE3 MET 77 7.553 0.028 -0.360 488 H LYS 78 H LYS 78 9.493 6.885 1.411 489 HA LYS 78 HA LYS 78 12.283 6.440 2.307 490 HB3 LYS 78 HB3 LYS 78 11.269 7.789 -0.223 491 HG3 LYS 78 HG3 LYS 78 13.955 6.833 0.766 492 HD3 LYS 78 HD3 LYS 78 13.740 5.536 -1.188 493 HE3 LYS 78 HE3 LYS 78 13.106 8.047 -2.793 494 HZ1 LYS 78 HZ1 LYS 78 12.930 5.166 -3.429 495 HZ2 LYS 78 HZ2 LYS 78 14.094 6.172 -3.997 496 HZ3 LYS 78 HZ3 LYS 78 12.531 6.385 -4.447 497 H THR 79 H THR 79 9.711 8.235 3.239 498 HA THR 79 HA THR 79 11.438 10.580 3.862 499 HB THR 79 HB THR 79 8.451 10.456 3.298 500 HG1 THR 79 HG1 THR 79 10.675 11.729 2.052 501 HG21 THR 79 HG21 THR 79 10.215 12.767 4.238 502 HG22 THR 79 HG22 THR 79 8.744 12.122 5.006 503 HG23 THR 79 HG23 THR 79 8.618 12.969 3.471 504 H TYR 80 H TYR 80 8.767 8.461 5.205 505 HA TYR 80 HA TYR 80 8.781 9.553 7.718 506 HB3 TYR 80 HB3 TYR 80 7.340 7.640 6.774 507 HD1 TYR 80 HD1 TYR 80 8.917 6.060 5.385 508 HD2 TYR 80 HD2 TYR 80 8.496 5.847 9.665 509 HE1 TYR 80 HE1 TYR 80 9.712 3.705 5.342 510 HE2 TYR 80 HE2 TYR 80 9.337 3.543 9.646 511 HH TYR 80 HH TYR 80 10.316 1.893 6.594 512 H ARG 81 H ARG 81 10.908 6.907 6.653 513 HA ARG 81 HA ARG 81 12.501 6.449 8.806 514 HB3 ARG 81 HB3 ARG 81 14.263 5.789 7.285 515 HG3 ARG 81 HG3 ARG 81 11.775 5.436 5.611 516 HD3 ARG 81 HD3 ARG 81 14.112 3.599 6.183 517 HE ARG 81 HE ARG 81 11.878 3.530 4.233 518 HH11 ARG 81 HH11 ARG 81 14.991 2.130 5.192 519 HH12 ARG 81 HH12 ARG 81 14.705 0.582 4.500 520 HH21 ARG 81 HH21 ARG 81 11.356 1.313 3.572 521 HH22 ARG 81 HH22 ARG 81 12.651 0.154 3.518 522 H GLN 82 H GLN 82 12.591 9.334 6.821 523 HA GLN 82 HA GLN 82 15.284 10.091 7.621 524 HB3 GLN 82 HB3 GLN 82 14.943 12.003 6.221 525 HG3 GLN 82 HG3 GLN 82 14.478 11.019 4.127 526 HE21 GLN 82 HE21 GLN 82 16.932 10.838 4.743 527 HE22 GLN 82 HE22 GLN 82 17.515 9.234 5.127 528 H ARG 83 H ARG 83 11.979 11.193 8.116 529 HA ARG 83 HA ARG 83 12.448 13.105 10.214 530 HB3 ARG 83 HB3 ARG 83 9.991 12.822 10.665 531 HG3 ARG 83 HG3 ARG 83 11.151 13.496 8.047 532 HD3 ARG 83 HD3 ARG 83 9.316 11.925 7.339 533 HE ARG 83 HE ARG 83 7.582 12.599 8.980 534 HH11 ARG 83 HH11 ARG 83 7.876 14.577 5.969 535 HH12 ARG 83 HH12 ARG 83 6.170 14.720 5.801 536 HH21 ARG 83 HH21 ARG 83 5.268 12.946 8.708 537 HH22 ARG 83 HH22 ARG 83 4.737 14.071 7.523 538 H GLU 84 H GLU 84 12.096 9.570 10.344 539 HA GLU 84 HA GLU 84 11.737 9.294 13.125 540 HB3 GLU 84 HB3 GLU 84 13.074 7.116 12.758 541 HG3 GLU 84 HG3 GLU 84 10.738 7.367 10.860 542 H LYS 85 H LYS 85 14.618 10.557 11.517 543 HA LYS 85 HA LYS 85 16.068 10.495 14.050 544 HB3 LYS 85 HB3 LYS 85 18.124 9.534 13.030 545 HG3 LYS 85 HG3 LYS 85 15.958 7.458 12.671 546 HD3 LYS 85 HD3 LYS 85 18.707 7.430 13.983 547 HE3 LYS 85 HE3 LYS 85 16.917 5.779 14.832 548 HZ1 LYS 85 HZ1 LYS 85 16.030 4.966 12.745 549 HZ2 LYS 85 HZ2 LYS 85 16.889 3.745 13.434 550 HZ3 LYS 85 HZ3 LYS 85 17.516 4.602 12.182 551 H GLN 86 H GLN 86 18.472 11.468 13.308 552 HA GLN 86 HA GLN 86 17.929 13.945 11.745 553 HB3 GLN 86 HB3 GLN 86 19.171 15.173 13.425 554 HG3 GLN 86 HG3 GLN 86 16.770 14.904 13.989 555 HE21 GLN 86 HE21 GLN 86 15.160 14.057 15.401 556 HE22 GLN 86 HE22 GLN 86 15.175 12.380 15.861 557 H GLY 87 H GLY 87 19.006 11.667 10.523 558 HA2 GLY 87 HA2 GLY 87 21.962 12.158 10.500 559 HA3 GLY 87 HA3 GLY 87 21.194 10.579 10.322 560 H THR 88 H THR 88 19.966 13.558 8.672 561 HA THR 88 HA THR 88 20.968 12.483 6.113 562 HB THR 88 HB THR 88 19.113 11.023 6.793 563 HG1 THR 88 HG1 THR 88 19.547 11.402 4.572 564 HG21 THR 88 HG21 THR 88 17.737 12.949 7.893 565 HG22 THR 88 HG22 THR 88 16.924 11.651 7.040 566 HG23 THR 88 HG23 THR 88 17.137 13.234 6.246 567 H LYS 89 H LYS 89 18.951 13.665 4.576 568 HA LYS 89 HA LYS 89 19.510 16.564 4.729 569 HB3 LYS 89 HB3 LYS 89 19.294 15.655 1.985 570 HG3 LYS 89 HG3 LYS 89 21.694 16.697 3.557 571 HD3 LYS 89 HD3 LYS 89 22.442 15.754 1.421 572 HE3 LYS 89 HE3 LYS 89 21.285 17.646 -0.414 573 HZ1 LYS 89 HZ1 LYS 89 22.053 15.507 -1.095 574 HZ2 LYS 89 HZ2 LYS 89 20.492 15.678 -1.524 575 HZ3 LYS 89 HZ3 LYS 89 20.887 14.696 -0.263 576 H VAL 90 H VAL 90 17.748 17.807 3.646 577 HA VAL 90 HA VAL 90 15.322 16.511 2.966 578 HB VAL 90 HB VAL 90 15.090 16.373 5.327 579 HG11 VAL 90 HG11 VAL 90 16.607 18.122 6.145 580 HG12 VAL 90 HG12 VAL 90 15.449 19.359 5.615 581 HG13 VAL 90 HG13 VAL 90 15.000 18.216 6.884 582 HG21 VAL 90 HG21 VAL 90 12.986 17.640 5.629 583 HG22 VAL 90 HG22 VAL 90 13.356 18.544 4.152 584 HG23 VAL 90 HG23 VAL 90 13.087 16.791 4.077 585 H ALA 91 H ALA 91 14.841 17.574 1.369 586 HA ALA 91 HA ALA 91 15.301 20.510 1.036 587 HB1 ALA 91 HB1 ALA 91 15.427 20.039 -1.396 588 HB2 ALA 91 HB2 ALA 91 16.732 19.263 -0.518 589 HB3 ALA 91 HB3 ALA 91 15.323 18.304 -1.062 590 H ASP 92 H ASP 92 13.819 21.175 -0.898 591 HA ASP 92 HA ASP 92 10.995 20.812 -0.464 592 HB3 ASP 92 HB3 ASP 92 12.188 22.853 -1.409 593 H SER 93 H SER 93 9.657 20.170 -2.501 594 HA SER 93 HA SER 93 11.003 18.823 -4.598 595 HB3 SER 93 HB3 SER 93 10.706 16.812 -3.373 596 HG SER 93 HG SER 93 8.652 16.066 -2.835 597 H SER 94 H SER 94 9.017 18.166 -6.336 598 HA SER 94 HA SER 94 6.718 19.853 -6.239 599 HB3 SER 94 HB3 SER 94 8.908 20.535 -8.257 600 HG SER 94 HG SER 94 6.808 21.055 -8.960 601 H LYS 95 H LYS 95 5.361 18.382 -7.170 602 HA LYS 95 HA LYS 95 6.251 16.423 -9.138 603 HB3 LYS 95 HB3 LYS 95 3.764 16.067 -9.447 604 HG3 LYS 95 HG3 LYS 95 4.256 15.847 -6.511 605 HD3 LYS 95 HD3 LYS 95 2.457 14.497 -7.667 606 HE3 LYS 95 HE3 LYS 95 3.790 12.310 -8.669 607 HZ1 LYS 95 HZ1 LYS 95 1.939 13.388 -9.771 608 HZ2 LYS 95 HZ2 LYS 95 3.112 13.167 -10.894 609 HZ3 LYS 95 HZ3 LYS 95 2.773 14.626 -10.231 610 H GLY 96 H GLY 96 4.790 16.302 -11.207 611 HA2 GLY 96 HA2 GLY 96 4.923 18.853 -12.709 612 HA3 GLY 96 HA3 GLY 96 5.825 17.448 -13.260 613 HA PRO 97 HA PRO 97 1.981 16.145 -15.206 614 HB3 PRO 97 HB3 PRO 97 3.337 14.779 -16.472 615 HG3 PRO 97 HG3 PRO 97 5.101 13.483 -15.497 616 HD3 PRO 97 HD3 PRO 97 5.533 15.746 -14.954 617 H ASP 98 H ASP 98 -0.053 15.627 -14.381 618 HA ASP 98 HA ASP 98 -0.405 13.626 -12.283 619 HB3 ASP 98 HB3 ASP 98 -1.672 15.495 -10.951 620 H GLU 99 H GLU 99 -1.738 12.569 -13.809 621 HA GLU 99 HA GLU 99 -4.421 13.341 -13.454 622 HB3 GLU 99 HB3 GLU 99 -3.360 13.372 -16.318 623 HG3 GLU 99 HG3 GLU 99 -5.537 12.262 -16.346 624 H ALA 100 H ALA 100 -5.714 11.462 -13.643 625 HA ALA 100 HA ALA 100 -4.669 9.069 -14.898 626 HB1 ALA 100 HB1 ALA 100 -3.483 8.997 -12.750 627 HB2 ALA 100 HB2 ALA 100 -5.039 9.067 -11.886 628 HB3 ALA 100 HB3 ALA 100 -4.653 7.669 -12.911 629 H LYS 101 H LYS 101 -6.481 8.588 -16.034 630 HA LYS 101 HA LYS 101 -9.154 8.788 -14.740 631 HB3 LYS 101 HB3 LYS 101 -9.984 7.984 -16.966 632 HG3 LYS 101 HG3 LYS 101 -8.500 10.645 -16.914 633 HD3 LYS 101 HD3 LYS 101 -10.801 9.543 -18.588 634 HE3 LYS 101 HE3 LYS 101 -10.955 11.958 -19.426 635 HZ1 LYS 101 HZ1 LYS 101 -12.750 11.498 -18.086 636 HZ2 LYS 101 HZ2 LYS 101 -12.087 12.710 -17.222 637 HZ3 LYS 101 HZ3 LYS 101 -11.864 11.159 -16.752 638 H ILE 102 H ILE 102 -9.303 7.248 -13.344 639 HA ILE 102 HA ILE 102 -9.163 4.431 -14.208 640 HB ILE 102 HB ILE 102 -7.843 5.293 -11.600 641 HG13 ILE 102 HG13 ILE 102 -6.384 5.950 -13.465 642 HG21 ILE 102 HG21 ILE 102 -7.241 2.926 -11.371 643 HG22 ILE 102 HG22 ILE 102 -8.969 3.025 -11.622 644 HG23 ILE 102 HG23 ILE 102 -7.923 2.557 -12.970 645 HD11 ILE 102 HD11 ILE 102 -5.251 3.375 -12.326 646 HD12 ILE 102 HD12 ILE 102 -4.378 4.750 -12.990 647 HD13 ILE 102 HD13 ILE 102 -5.266 4.939 -11.466 648 H LYS 103 H LYS 103 -10.144 6.885 -11.739 649 HA LYS 103 HA LYS 103 -11.681 5.167 -10.182 650 HB3 LYS 103 HB3 LYS 103 -12.989 7.474 -9.747 651 HG3 LYS 103 HG3 LYS 103 -11.070 8.319 -8.398 652 HD3 LYS 103 HD3 LYS 103 -11.373 5.303 -8.046 653 HE3 LYS 103 HE3 LYS 103 -10.927 7.694 -6.239 654 HZ1 LYS 103 HZ1 LYS 103 -12.708 6.327 -5.388 655 HZ2 LYS 103 HZ2 LYS 103 -11.413 6.263 -4.398 656 HZ3 LYS 103 HZ3 LYS 103 -11.796 4.993 -5.405 657 H ALA 104 H ALA 104 -12.655 6.474 -13.319 658 HA ALA 104 HA ALA 104 -15.436 5.870 -12.896 659 HB1 ALA 104 HB1 ALA 104 -13.826 6.210 -15.457 660 HB2 ALA 104 HB2 ALA 104 -15.606 6.203 -15.361 661 HB3 ALA 104 HB3 ALA 104 -14.685 7.502 -14.584 662 H LEU 105 H LEU 105 -13.012 3.744 -12.958 663 HA LEU 105 HA LEU 105 -14.116 1.675 -14.734 664 HB3 LEU 105 HB3 LEU 105 -11.918 1.292 -12.676 665 HG LEU 105 HG LEU 105 -12.766 -0.609 -14.341 666 HD11 LEU 105 HD11 LEU 105 -11.593 -0.498 -16.530 667 HD12 LEU 105 HD12 LEU 105 -11.070 1.155 -16.176 668 HD13 LEU 105 HD13 LEU 105 -12.801 0.787 -16.373 669 HD21 LEU 105 HD21 LEU 105 -9.815 0.136 -14.183 670 HD22 LEU 105 HD22 LEU 105 -10.485 -1.463 -14.593 671 HD23 LEU 105 HD23 LEU 105 -10.733 -0.788 -12.977 672 H LEU 106 H LEU 106 -14.743 -0.502 -13.862 673 HA LEU 106 HA LEU 106 -15.093 -0.951 -11.067 674 HB3 LEU 106 HB3 LEU 106 -17.152 0.152 -11.710 675 HG LEU 106 HG LEU 106 -16.967 -1.413 -14.167 676 HD11 LEU 106 HD11 LEU 106 -19.597 -1.648 -12.661 677 HD12 LEU 106 HD12 LEU 106 -18.446 -2.962 -12.997 678 HD13 LEU 106 HD13 LEU 106 -19.260 -2.148 -14.339 679 HD21 LEU 106 HD21 LEU 106 -19.015 0.661 -13.327 680 HD22 LEU 106 HD22 LEU 106 -18.606 0.185 -14.985 681 HD23 LEU 106 HD23 LEU 106 -17.409 1.051 -13.998 682 H GLU 107 H GLU 107 -15.883 -3.390 -10.916 683 HA GLU 107 HA GLU 107 -14.553 -4.990 -13.018 684 HB3 GLU 107 HB3 GLU 107 -12.844 -4.259 -11.508 685 HG3 GLU 107 HG3 GLU 107 -14.121 -5.697 -9.167 686 H ARG 108 H ARG 108 -15.012 -7.319 -12.868 687 HA ARG 108 HA ARG 108 -17.535 -7.925 -11.369 688 HB3 ARG 108 HB3 ARG 108 -18.197 -7.191 -13.556 689 HG3 ARG 108 HG3 ARG 108 -15.926 -8.685 -14.559 690 HD3 ARG 108 HD3 ARG 108 -18.572 -9.394 -15.895 691 HE ARG 108 HE ARG 108 -15.906 -9.416 -16.826 692 HH11 ARG 108 HH11 ARG 108 -18.546 -11.782 -16.645 693 HH12 ARG 108 HH12 ARG 108 -18.196 -12.497 -18.178 694 HH21 ARG 108 HH21 ARG 108 -15.236 -10.632 -18.662 695 HH22 ARG 108 HH22 ARG 108 -16.166 -12.003 -19.171 696 H THR 109 H THR 109 -15.555 -8.957 -10.030 697 HA THR 109 HA THR 109 -16.036 -11.732 -10.378 698 HB THR 109 HB THR 109 -14.423 -11.702 -12.107 699 HG1 THR 109 HG1 THR 109 -12.897 -12.542 -9.923 700 HG21 THR 109 HG21 THR 109 -12.069 -10.974 -11.867 701 HG22 THR 109 HG22 THR 109 -12.468 -10.209 -10.320 702 HG23 THR 109 HG23 THR 109 -13.210 -9.625 -11.812 703 H GLY 110 H GLY 110 -16.062 -12.553 -8.343 704 HA2 GLY 110 HA2 GLY 110 -13.962 -11.974 -6.460 705 HA3 GLY 110 HA3 GLY 110 -15.549 -11.392 -5.944 706 H TYR 111 H TYR 111 -13.953 -13.583 -4.844 707 HA TYR 111 HA TYR 111 -16.146 -15.319 -4.391 708 HB3 TYR 111 HB3 TYR 111 -14.177 -17.298 -4.619 709 HD1 TYR 111 HD1 TYR 111 -16.674 -17.968 -4.008 710 HD2 TYR 111 HD2 TYR 111 -15.249 -16.971 -7.956 711 HE1 TYR 111 HE1 TYR 111 -18.614 -19.125 -4.993 712 HE2 TYR 111 HE2 TYR 111 -17.221 -18.089 -8.951 713 HH TYR 111 HH TYR 111 -19.856 -19.462 -6.939 714 H THR 112 H THR 112 -15.582 -16.728 -2.467 715 HA THR 112 HA THR 112 -13.036 -16.147 -1.143 716 HB THR 112 HB THR 112 -14.692 -14.595 -0.144 717 HG1 THR 112 HG1 THR 112 -13.687 -14.842 1.659 718 HG21 THR 112 HG21 THR 112 -16.437 -15.393 1.331 719 HG22 THR 112 HG22 THR 112 -16.068 -17.083 0.964 720 HG23 THR 112 HG23 THR 112 -16.735 -16.029 -0.293 721 H LEU 113 H LEU 113 -13.320 -17.661 0.989 722 HA LEU 113 HA LEU 113 -12.903 -20.335 0.136 723 HB3 LEU 113 HB3 LEU 113 -13.320 -19.342 2.972 724 HG LEU 113 HG LEU 113 -12.293 -21.812 1.910 725 HD11 LEU 113 HD11 LEU 113 -9.992 -21.861 2.624 726 HD12 LEU 113 HD12 LEU 113 -10.079 -20.175 3.196 727 HD13 LEU 113 HD13 LEU 113 -10.181 -20.526 1.471 728 HD21 LEU 113 HD21 LEU 113 -13.405 -21.633 4.070 729 HD22 LEU 113 HD22 LEU 113 -12.109 -20.615 4.707 730 HD23 LEU 113 HD23 LEU 113 -11.792 -22.321 4.286 731 H ASP 114 H ASP 114 -15.762 -19.453 -0.362 732 HA ASP 114 HA ASP 114 -17.151 -21.566 1.176 733 HB3 ASP 114 HB3 ASP 114 -18.895 -19.237 0.775 734 H VAL 115 H VAL 115 -16.797 -22.798 -0.626 735 HA VAL 115 HA VAL 115 -16.818 -21.956 -3.215 736 HB VAL 115 HB VAL 115 -16.916 -24.327 -3.864 737 HG11 VAL 115 HG11 VAL 115 -14.826 -23.329 -2.916 738 HG12 VAL 115 HG12 VAL 115 -15.271 -23.985 -1.325 739 HG13 VAL 115 HG13 VAL 115 -14.949 -25.077 -2.685 740 HG21 VAL 115 HG21 VAL 115 -18.640 -25.209 -2.330 741 HG22 VAL 115 HG22 VAL 115 -17.140 -26.116 -2.182 742 HG23 VAL 115 HG23 VAL 115 -17.570 -24.929 -0.934 743 H THR 116 H THR 116 -19.714 -22.899 -1.441 744 HA THR 116 HA THR 116 -21.295 -23.300 -3.836 745 HB THR 116 HB THR 116 -21.561 -24.588 -1.751 746 HG1 THR 116 HG1 THR 116 -23.706 -23.137 -2.801 747 HG21 THR 116 HG21 THR 116 -22.823 -22.087 -0.569 748 HG22 THR 116 HG22 THR 116 -21.274 -22.798 -0.051 749 HG23 THR 116 HG23 THR 116 -22.780 -23.704 0.161 750 H THR 117 H THR 117 -20.126 -20.413 -2.742 751 HA THR 117 HA THR 117 -22.545 -18.853 -2.663 752 HB THR 117 HB THR 117 -19.713 -17.901 -3.284 753 HG1 THR 117 HG1 THR 117 -19.523 -18.968 -1.398 754 HG21 THR 117 HG21 THR 117 -22.156 -16.549 -2.036 755 HG22 THR 117 HG22 THR 117 -21.362 -16.120 -3.574 756 HG23 THR 117 HG23 THR 117 -20.536 -15.855 -2.042 757 H GLY 118 H GLY 118 -23.284 -17.311 -4.269 758 HA2 GLY 118 HA2 GLY 118 -22.340 -17.185 -6.931 759 HA3 GLY 118 HA3 GLY 118 -23.868 -18.091 -6.804 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 22.125 -12.564 -1.895 2 HA2 GLY 1 HA2 GLY 1 19.737 -10.998 -2.731 3 HA3 GLY 1 HA3 GLY 1 19.659 -12.617 -2.003 4 H SER 2 H SER 2 18.426 -11.778 -0.161 5 HA SER 2 HA SER 2 20.256 -11.082 1.984 6 HB3 SER 2 HB3 SER 2 17.877 -9.383 1.293 7 HG SER 2 HG SER 2 17.936 -8.597 3.163 8 H GLU 3 H GLU 3 19.214 -11.545 4.008 9 HA GLU 3 HA GLU 3 17.869 -14.068 3.846 10 HB3 GLU 3 HB3 GLU 3 19.510 -13.395 5.572 11 HG3 GLU 3 HG3 GLU 3 17.211 -12.086 7.083 12 H ASN 4 H ASN 4 16.668 -10.873 3.994 13 HA ASN 4 HA ASN 4 14.150 -11.183 5.261 14 HB3 ASN 4 HB3 ASN 4 14.777 -8.984 4.816 15 HD21 ASN 4 HD21 ASN 4 14.289 -10.115 1.313 16 HD22 ASN 4 HD22 ASN 4 15.817 -9.468 0.819 17 H PHE 5 H PHE 5 15.154 -12.280 2.027 18 HA PHE 5 HA PHE 5 12.612 -12.110 0.811 19 HB3 PHE 5 HB3 PHE 5 15.013 -13.919 0.297 20 HD1 PHE 5 HD1 PHE 5 12.797 -12.120 -2.097 21 HD2 PHE 5 HD2 PHE 5 14.096 -15.950 -0.610 22 HE1 PHE 5 HE1 PHE 5 11.735 -13.249 -4.047 23 HE2 PHE 5 HE2 PHE 5 13.086 -17.058 -2.561 24 HZ PHE 5 HZ PHE 5 11.886 -15.712 -4.293 25 H GLN 6 H GLN 6 14.156 -14.991 2.277 26 HA GLN 6 HA GLN 6 11.812 -16.582 1.936 27 HB3 GLN 6 HB3 GLN 6 14.191 -16.961 3.817 28 HG3 GLN 6 HG3 GLN 6 12.408 -18.624 4.275 29 HE21 GLN 6 HE21 GLN 6 10.399 -18.626 3.217 30 HE22 GLN 6 HE22 GLN 6 10.125 -19.573 1.781 31 H THR 7 H THR 7 12.781 -14.309 4.419 32 HA THR 7 HA THR 7 10.930 -15.212 6.466 33 HB THR 7 HB THR 7 12.477 -12.646 5.885 34 HG1 THR 7 HG1 THR 7 13.404 -14.698 6.704 35 HG21 THR 7 HG21 THR 7 10.716 -13.117 8.312 36 HG22 THR 7 HG22 THR 7 10.547 -11.831 7.101 37 HG23 THR 7 HG23 THR 7 11.965 -11.851 8.154 38 H LEU 8 H LEU 8 10.778 -12.700 3.873 39 HA LEU 8 HA LEU 8 8.153 -11.813 4.508 40 HB3 LEU 8 HB3 LEU 8 8.270 -10.958 2.037 41 HG LEU 8 HG LEU 8 10.377 -10.382 4.172 42 HD11 LEU 8 HD11 LEU 8 10.188 -9.153 1.423 43 HD12 LEU 8 HD12 LEU 8 11.543 -9.975 2.212 44 HD13 LEU 8 HD13 LEU 8 11.037 -8.399 2.811 45 HD21 LEU 8 HD21 LEU 8 8.087 -9.568 4.632 46 HD22 LEU 8 HD22 LEU 8 8.073 -8.715 3.068 47 HD23 LEU 8 HD23 LEU 8 9.206 -8.239 4.345 48 H LEU 9 H LEU 9 9.339 -14.282 2.246 49 HA LEU 9 HA LEU 9 6.865 -15.130 1.162 50 HB3 LEU 9 HB3 LEU 9 8.422 -17.447 1.365 51 HG LEU 9 HG LEU 9 8.331 -15.148 -0.607 52 HD11 LEU 9 HD11 LEU 9 10.616 -15.901 -0.674 53 HD12 LEU 9 HD12 LEU 9 9.762 -16.398 -2.143 54 HD13 LEU 9 HD13 LEU 9 10.098 -17.594 -0.853 55 HD21 LEU 9 HD21 LEU 9 6.415 -16.689 -0.562 56 HD22 LEU 9 HD22 LEU 9 7.497 -18.091 -0.681 57 HD23 LEU 9 HD23 LEU 9 7.349 -16.981 -2.041 58 H ASP 10 H ASP 10 8.164 -15.646 4.371 59 HA ASP 10 HA ASP 10 5.915 -17.508 4.935 60 HB3 ASP 10 HB3 ASP 10 8.094 -17.011 6.916 61 H ALA 11 H ALA 11 6.541 -14.261 5.234 62 HA ALA 11 HA ALA 11 5.249 -13.828 7.817 63 HB1 ALA 11 HB1 ALA 11 5.522 -11.450 7.200 64 HB2 ALA 11 HB2 ALA 11 7.037 -12.351 6.955 65 HB3 ALA 11 HB3 ALA 11 6.013 -11.929 5.559 66 H GLY 12 H GLY 12 4.107 -14.756 4.858 67 HA2 GLY 12 HA2 GLY 12 1.559 -14.941 4.974 68 HA3 GLY 12 HA3 GLY 12 1.582 -13.191 4.982 69 H LEU 13 H LEU 13 4.184 -13.541 3.125 70 HA LEU 13 HA LEU 13 2.363 -12.324 1.238 71 HB3 LEU 13 HB3 LEU 13 4.224 -10.833 0.797 72 HG LEU 13 HG LEU 13 4.336 -11.556 3.769 73 HD11 LEU 13 HD11 LEU 13 5.242 -9.301 4.084 74 HD12 LEU 13 HD12 LEU 13 5.305 -9.081 2.320 75 HD13 LEU 13 HD13 LEU 13 6.278 -10.338 3.103 76 HD21 LEU 13 HD21 LEU 13 2.933 -9.055 3.162 77 HD22 LEU 13 HD22 LEU 13 2.467 -10.409 4.188 78 HD23 LEU 13 HD23 LEU 13 2.111 -10.459 2.458 79 HA PRO 14 HA PRO 14 3.378 -14.971 -2.127 80 HB3 PRO 14 HB3 PRO 14 1.901 -14.053 -3.590 81 HG3 PRO 14 HG3 PRO 14 1.032 -11.948 -3.051 82 HD3 PRO 14 HD3 PRO 14 1.290 -12.530 -0.823 83 H GLN 15 H GLN 15 4.937 -15.509 -3.534 84 HA GLN 15 HA GLN 15 7.611 -15.008 -3.074 85 HB3 GLN 15 HB3 GLN 15 6.165 -15.910 -5.622 86 HG3 GLN 15 HG3 GLN 15 8.400 -17.337 -5.677 87 HE21 GLN 15 HE21 GLN 15 10.520 -15.896 -6.586 88 HE22 GLN 15 HE22 GLN 15 10.122 -14.773 -7.854 89 H LYS 16 H LYS 16 5.784 -13.787 -5.833 90 HA LYS 16 HA LYS 16 7.633 -12.142 -6.955 91 HB3 LYS 16 HB3 LYS 16 5.702 -12.594 -8.200 92 HG3 LYS 16 HG3 LYS 16 4.058 -11.302 -6.007 93 HD3 LYS 16 HD3 LYS 16 3.276 -12.633 -8.625 94 HE3 LYS 16 HE3 LYS 16 1.112 -11.828 -6.763 95 HZ1 LYS 16 HZ1 LYS 16 1.175 -13.371 -8.903 96 HZ2 LYS 16 HZ2 LYS 16 0.029 -13.456 -7.759 97 HZ3 LYS 16 HZ3 LYS 16 1.293 -14.545 -7.727 98 H VAL 17 H VAL 17 5.637 -11.311 -4.119 99 HA VAL 17 HA VAL 17 6.372 -8.493 -4.203 100 HB VAL 17 HB VAL 17 4.970 -10.286 -2.184 101 HG11 VAL 17 HG11 VAL 17 6.150 -8.792 -0.760 102 HG12 VAL 17 HG12 VAL 17 5.872 -7.412 -1.853 103 HG13 VAL 17 HG13 VAL 17 4.530 -8.110 -0.945 104 HG21 VAL 17 HG21 VAL 17 4.058 -7.913 -3.869 105 HG22 VAL 17 HG22 VAL 17 3.704 -9.603 -4.226 106 HG23 VAL 17 HG23 VAL 17 3.029 -8.862 -2.779 107 H ALA 18 H ALA 18 7.521 -11.456 -2.465 108 HA ALA 18 HA ALA 18 9.478 -10.159 -0.912 109 HB1 ALA 18 HB1 ALA 18 8.740 -12.582 -0.701 110 HB2 ALA 18 HB2 ALA 18 9.670 -12.950 -2.173 111 HB3 ALA 18 HB3 ALA 18 10.501 -12.373 -0.722 112 H GLU 19 H GLU 19 9.663 -11.321 -4.320 113 HA GLU 19 HA GLU 19 12.411 -10.823 -4.766 114 HB3 GLU 19 HB3 GLU 19 11.833 -10.392 -7.113 115 HG3 GLU 19 HG3 GLU 19 10.067 -12.628 -6.087 116 H LYS 20 H LYS 20 9.630 -8.545 -5.226 117 HA LYS 20 HA LYS 20 11.367 -6.485 -6.217 118 HB3 LYS 20 HB3 LYS 20 9.219 -5.060 -5.741 119 HG3 LYS 20 HG3 LYS 20 10.045 -5.695 -7.956 120 HD3 LYS 20 HD3 LYS 20 8.453 -8.275 -7.639 121 HE3 LYS 20 HE3 LYS 20 10.072 -7.086 -9.885 122 HZ1 LYS 20 HZ1 LYS 20 10.622 -9.325 -9.943 123 HZ2 LYS 20 HZ2 LYS 20 9.381 -9.242 -11.011 124 HZ3 LYS 20 HZ3 LYS 20 9.146 -9.874 -9.512 125 H LEU 21 H LEU 21 10.381 -7.363 -2.992 126 HA LEU 21 HA LEU 21 11.321 -4.886 -1.757 127 HB3 LEU 21 HB3 LEU 21 10.563 -7.600 -0.594 128 HG LEU 21 HG LEU 21 11.578 -6.551 1.201 129 HD11 LEU 21 HD11 LEU 21 11.228 -4.230 1.965 130 HD12 LEU 21 HD12 LEU 21 10.299 -3.869 0.505 131 HD13 LEU 21 HD13 LEU 21 12.023 -4.248 0.400 132 HD21 LEU 21 HD21 LEU 21 9.123 -7.212 1.491 133 HD22 LEU 21 HD22 LEU 21 8.712 -5.506 1.368 134 HD23 LEU 21 HD23 LEU 21 9.747 -6.076 2.700 135 H ASP 22 H ASP 22 12.610 -8.179 -2.320 136 HA ASP 22 HA ASP 22 14.775 -8.250 -0.557 137 HB3 ASP 22 HB3 ASP 22 14.616 -9.328 -3.411 138 H GLU 23 H GLU 23 14.647 -6.873 -3.779 139 HA GLU 23 HA GLU 23 17.368 -6.364 -4.163 140 HB3 GLU 23 HB3 GLU 23 14.670 -5.644 -5.287 141 HG3 GLU 23 HG3 GLU 23 17.234 -4.322 -6.189 142 H ILE 24 H ILE 24 14.857 -4.498 -2.534 143 HA ILE 24 HA ILE 24 16.112 -1.940 -2.717 144 HB ILE 24 HB ILE 24 14.111 -2.917 -0.634 145 HG13 ILE 24 HG13 ILE 24 13.178 -3.593 -2.690 146 HG21 ILE 24 HG21 ILE 24 14.481 -0.144 -1.837 147 HG22 ILE 24 HG22 ILE 24 13.404 -0.604 -0.505 148 HG23 ILE 24 HG23 ILE 24 15.143 -0.656 -0.264 149 HD11 ILE 24 HD11 ILE 24 11.267 -2.283 -3.154 150 HD12 ILE 24 HD12 ILE 24 11.554 -2.182 -1.396 151 HD13 ILE 24 HD13 ILE 24 11.994 -0.827 -2.475 152 H TYR 25 H TYR 25 16.129 -4.563 -0.314 153 HA TYR 25 HA TYR 25 17.774 -3.193 1.638 154 HB3 TYR 25 HB3 TYR 25 18.012 -5.500 2.582 155 HD1 TYR 25 HD1 TYR 25 16.767 -3.506 3.886 156 HD2 TYR 25 HD2 TYR 25 14.836 -6.542 1.514 157 HE1 TYR 25 HE1 TYR 25 14.707 -3.260 5.246 158 HE2 TYR 25 HE2 TYR 25 12.829 -6.399 2.984 159 HH TYR 25 HH TYR 25 12.038 -3.897 4.701 160 H VAL 26 H VAL 26 18.548 -4.533 -1.408 161 HA VAL 26 HA VAL 26 21.399 -5.061 -0.670 162 HB VAL 26 HB VAL 26 19.646 -6.136 -2.912 163 HG11 VAL 26 HG11 VAL 26 21.514 -7.763 -3.323 164 HG12 VAL 26 HG12 VAL 26 21.938 -6.110 -3.736 165 HG13 VAL 26 HG13 VAL 26 22.535 -6.814 -2.218 166 HG21 VAL 26 HG21 VAL 26 19.753 -8.278 -1.807 167 HG22 VAL 26 HG22 VAL 26 20.775 -7.606 -0.507 168 HG23 VAL 26 HG23 VAL 26 19.085 -7.098 -0.694 169 H ALA 27 H ALA 27 19.301 -2.893 -2.299 170 HA ALA 27 HA ALA 27 21.325 -1.831 -4.137 171 HB1 ALA 27 HB1 ALA 27 19.482 -0.314 -4.774 172 HB2 ALA 27 HB2 ALA 27 18.967 -2.011 -4.811 173 HB3 ALA 27 HB3 ALA 27 18.481 -0.967 -3.455 174 H GLY 28 H GLY 28 20.911 -1.549 -0.828 175 HA2 GLY 28 HA2 GLY 28 21.689 -0.025 0.721 176 HA3 GLY 28 HA3 GLY 28 22.523 0.809 -0.600 177 H LEU 29 H LEU 29 18.996 0.358 -0.735 178 HA LEU 29 HA LEU 29 18.629 3.265 -0.871 179 HB3 LEU 29 HB3 LEU 29 16.116 2.377 -0.832 180 HG LEU 29 HG LEU 29 18.100 1.938 -3.097 181 HD11 LEU 29 HD11 LEU 29 16.113 1.702 -4.570 182 HD12 LEU 29 HD12 LEU 29 15.075 1.682 -3.131 183 HD13 LEU 29 HD13 LEU 29 16.246 0.368 -3.412 184 HD21 LEU 29 HD21 LEU 29 17.677 4.314 -2.501 185 HD22 LEU 29 HD22 LEU 29 15.929 4.023 -2.562 186 HD23 LEU 29 HD23 LEU 29 16.898 3.936 -4.034 187 H VAL 30 H VAL 30 18.437 0.842 1.618 188 HA VAL 30 HA VAL 30 16.930 2.664 3.401 189 HB VAL 30 HB VAL 30 15.886 0.514 4.241 190 HG11 VAL 30 HG11 VAL 30 14.687 2.070 2.688 191 HG12 VAL 30 HG12 VAL 30 15.312 1.151 1.309 192 HG13 VAL 30 HG13 VAL 30 14.220 0.375 2.475 193 HG21 VAL 30 HG21 VAL 30 15.875 -1.457 2.852 194 HG22 VAL 30 HG22 VAL 30 16.946 -0.716 1.662 195 HG23 VAL 30 HG23 VAL 30 17.550 -1.082 3.294 196 H ALA 31 H ALA 31 16.886 1.509 5.686 197 HA ALA 31 HA ALA 31 19.617 0.722 6.456 198 HB1 ALA 31 HB1 ALA 31 19.358 2.125 8.459 199 HB2 ALA 31 HB2 ALA 31 19.067 3.104 7.007 200 HB3 ALA 31 HB3 ALA 31 17.691 2.512 7.987 201 H HIS 32 H HIS 32 17.659 -1.155 5.860 202 HA HIS 32 HA HIS 32 16.547 -2.952 6.589 203 HB3 HIS 32 HB3 HIS 32 18.103 -2.729 9.191 204 HD1 HIS 32 HD1 HIS 32 19.143 -5.625 9.267 205 HD2 HIS 32 HD2 HIS 32 15.237 -4.571 8.078 206 HE1 HIS 32 HE1 HIS 32 17.726 -7.706 9.522 207 H SER 33 H SER 33 16.643 -1.421 9.875 208 HA SER 33 HA SER 33 13.716 -1.433 9.935 209 HB3 SER 33 HB3 SER 33 15.510 -0.526 12.184 210 HG SER 33 HG SER 33 13.483 -2.106 12.875 211 H ASP 34 H ASP 34 14.162 0.016 8.052 212 HA ASP 34 HA ASP 34 14.515 2.901 8.576 213 HB3 ASP 34 HB3 ASP 34 13.666 1.729 5.934 214 H LEU 35 H LEU 35 12.020 1.100 9.447 215 HA LEU 35 HA LEU 35 9.838 2.693 8.261 216 HB3 LEU 35 HB3 LEU 35 8.519 0.590 7.952 217 HG LEU 35 HG LEU 35 10.971 0.695 6.144 218 HD11 LEU 35 HD11 LEU 35 9.674 -1.385 6.021 219 HD12 LEU 35 HD12 LEU 35 9.461 -0.432 4.542 220 HD13 LEU 35 HD13 LEU 35 8.175 -0.467 5.774 221 HD21 LEU 35 HD21 LEU 35 9.853 2.880 6.094 222 HD22 LEU 35 HD22 LEU 35 8.277 2.098 5.849 223 HD23 LEU 35 HD23 LEU 35 9.550 2.015 4.603 224 H ASP 36 H ASP 36 7.933 2.632 9.573 225 HA ASP 36 HA ASP 36 8.262 2.025 12.418 226 HB3 ASP 36 HB3 ASP 36 5.815 2.380 12.569 227 H GLU 37 H GLU 37 7.149 0.322 13.433 228 HA GLU 37 HA GLU 37 6.538 -2.214 12.191 229 HB3 GLU 37 HB3 GLU 37 5.636 -0.807 14.720 230 HG3 GLU 37 HG3 GLU 37 5.592 -3.806 14.432 231 H ARG 38 H ARG 38 4.697 0.738 12.936 232 HA ARG 38 HA ARG 38 2.110 -0.030 12.183 233 HB3 ARG 38 HB3 ARG 38 1.677 2.318 11.746 234 HG3 ARG 38 HG3 ARG 38 3.770 2.126 13.967 235 HD3 ARG 38 HD3 ARG 38 3.460 4.452 13.339 236 HE ARG 38 HE ARG 38 1.178 4.253 12.366 237 HH11 ARG 38 HH11 ARG 38 1.274 5.083 15.835 238 HH12 ARG 38 HH12 ARG 38 0.088 6.346 15.666 239 HH21 ARG 38 HH21 ARG 38 -0.590 5.517 12.260 240 HH22 ARG 38 HH22 ARG 38 -1.201 6.386 13.642 241 H ALA 39 H ALA 39 4.860 0.942 10.035 242 HA ALA 39 HA ALA 39 3.165 0.863 7.684 243 HB1 ALA 39 HB1 ALA 39 6.204 1.037 7.878 244 HB2 ALA 39 HB2 ALA 39 5.254 1.218 6.392 245 HB3 ALA 39 HB3 ALA 39 5.096 2.413 7.666 246 H ILE 40 H ILE 40 5.383 -1.333 9.374 247 HA ILE 40 HA ILE 40 5.478 -3.374 7.394 248 HB ILE 40 HB ILE 40 5.810 -3.488 10.395 249 HG13 ILE 40 HG13 ILE 40 8.183 -3.611 9.948 250 HG21 ILE 40 HG21 ILE 40 5.218 -5.729 9.804 251 HG22 ILE 40 HG22 ILE 40 6.282 -5.709 8.385 252 HG23 ILE 40 HG23 ILE 40 6.957 -5.659 10.029 253 HD11 ILE 40 HD11 ILE 40 8.232 -4.626 7.661 254 HD12 ILE 40 HD12 ILE 40 7.592 -3.102 6.994 255 HD13 ILE 40 HD13 ILE 40 9.178 -3.134 7.769 256 H GLU 41 H GLU 41 3.093 -2.879 10.055 257 HA GLU 41 HA GLU 41 1.598 -5.272 9.603 258 HB3 GLU 41 HB3 GLU 41 -0.347 -3.819 10.424 259 HG3 GLU 41 HG3 GLU 41 2.087 -3.566 12.226 260 H ALA 42 H ALA 42 1.275 -2.050 8.085 261 HA ALA 42 HA ALA 42 -0.947 -2.897 6.434 262 HB1 ALA 42 HB1 ALA 42 1.001 -0.581 6.040 263 HB2 ALA 42 HB2 ALA 42 -0.593 -0.783 5.264 264 HB3 ALA 42 HB3 ALA 42 -0.490 -0.515 7.009 265 H LEU 43 H LEU 43 2.545 -3.019 6.090 266 HA LEU 43 HA LEU 43 2.517 -3.985 3.338 267 HB3 LEU 43 HB3 LEU 43 4.986 -4.416 3.861 268 HG LEU 43 HG LEU 43 3.745 -1.680 4.162 269 HD11 LEU 43 HD11 LEU 43 5.927 -0.705 4.093 270 HD12 LEU 43 HD12 LEU 43 6.711 -2.318 4.047 271 HD13 LEU 43 HD13 LEU 43 5.831 -1.776 5.476 272 HD21 LEU 43 HD21 LEU 43 3.591 -2.660 1.901 273 HD22 LEU 43 HD22 LEU 43 5.320 -3.021 1.909 274 HD23 LEU 43 HD23 LEU 43 4.752 -1.332 1.907 275 H LYS 44 H LYS 44 0.823 -5.447 5.215 276 HA LYS 44 HA LYS 44 1.940 -8.122 4.770 277 HB3 LYS 44 HB3 LYS 44 0.071 -7.600 7.101 278 HG3 LYS 44 HG3 LYS 44 2.206 -9.636 6.364 279 HD3 LYS 44 HD3 LYS 44 2.369 -9.180 8.778 280 HE3 LYS 44 HE3 LYS 44 -0.489 -10.277 8.810 281 HZ1 LYS 44 HZ1 LYS 44 1.172 -9.419 11.087 282 HZ2 LYS 44 HZ2 LYS 44 1.018 -10.993 10.634 283 HZ3 LYS 44 HZ3 LYS 44 -0.300 -10.147 11.168 284 H GLU 45 H GLU 45 -1.226 -6.483 5.554 285 HA GLU 45 HA GLU 45 -2.484 -8.355 3.677 286 HB3 GLU 45 HB3 GLU 45 -3.562 -8.183 5.756 287 HG3 GLU 45 HG3 GLU 45 -3.629 -5.194 5.341 288 H PHE 46 H PHE 46 -1.504 -7.602 1.744 289 HA PHE 46 HA PHE 46 -2.978 -5.316 0.509 290 HB3 PHE 46 HB3 PHE 46 -0.773 -4.555 0.597 291 HD1 PHE 46 HD1 PHE 46 -0.222 -7.854 -1.217 292 HD2 PHE 46 HD2 PHE 46 1.133 -5.090 1.817 293 HE1 PHE 46 HE1 PHE 46 1.698 -9.286 -0.796 294 HE2 PHE 46 HE2 PHE 46 3.153 -6.524 2.141 295 HZ PHE 46 HZ PHE 46 3.406 -8.623 0.900 296 H ASN 47 H ASN 47 -3.198 -5.620 -1.886 297 HA ASN 47 HA ASN 47 -3.785 -8.427 -2.602 298 HB3 ASN 47 HB3 ASN 47 -5.365 -6.650 -3.382 299 HD21 ASN 47 HD21 ASN 47 -4.405 -6.414 -6.444 300 HD22 ASN 47 HD22 ASN 47 -3.728 -4.826 -6.505 301 H GLU 48 H GLU 48 -2.996 -8.893 -4.899 302 HA GLU 48 HA GLU 48 -0.299 -9.427 -4.987 303 HB3 GLU 48 HB3 GLU 48 -2.409 -9.114 -7.167 304 HG3 GLU 48 HG3 GLU 48 0.462 -10.050 -7.351 305 H ASP 49 H ASP 49 -1.985 -6.646 -6.605 306 HA ASP 49 HA ASP 49 0.611 -5.645 -7.583 307 HB3 ASP 49 HB3 ASP 49 -1.646 -3.785 -7.782 308 H GLY 50 H GLY 50 -1.152 -5.516 -4.690 309 HA2 GLY 50 HA2 GLY 50 -1.092 -2.735 -4.174 310 HA3 GLY 50 HA3 GLY 50 -1.548 -4.010 -3.029 311 H ALA 51 H ALA 51 0.979 -5.413 -2.994 312 HA ALA 51 HA ALA 51 2.784 -3.527 -1.647 313 HB1 ALA 51 HB1 ALA 51 4.360 -5.466 -1.699 314 HB2 ALA 51 HB2 ALA 51 2.829 -5.770 -0.873 315 HB3 ALA 51 HB3 ALA 51 3.077 -6.425 -2.499 316 H LEU 52 H LEU 52 2.656 -5.248 -4.864 317 HA LEU 52 HA LEU 52 5.282 -4.580 -5.587 318 HB3 LEU 52 HB3 LEU 52 4.462 -4.906 -7.979 319 HG LEU 52 HG LEU 52 3.646 -7.058 -5.978 320 HD11 LEU 52 HD11 LEU 52 4.253 -7.286 -8.956 321 HD12 LEU 52 HD12 LEU 52 2.649 -7.460 -8.196 322 HD13 LEU 52 HD13 LEU 52 3.933 -8.634 -7.850 323 HD21 LEU 52 HD21 LEU 52 6.038 -6.566 -5.735 324 HD22 LEU 52 HD22 LEU 52 6.243 -6.627 -7.504 325 HD23 LEU 52 HD23 LEU 52 5.848 -8.092 -6.596 326 H ALA 53 H ALA 53 2.334 -2.643 -6.124 327 HA ALA 53 HA ALA 53 3.635 -0.615 -7.696 328 HB1 ALA 53 HB1 ALA 53 1.047 -0.546 -6.061 329 HB2 ALA 53 HB2 ALA 53 1.541 0.651 -7.280 330 HB3 ALA 53 HB3 ALA 53 1.193 -1.015 -7.768 331 H VAL 54 H VAL 54 3.120 -1.154 -4.269 332 HA VAL 54 HA VAL 54 3.945 1.521 -3.450 333 HB VAL 54 HB VAL 54 2.964 -1.059 -2.127 334 HG11 VAL 54 HG11 VAL 54 4.330 0.012 -0.432 335 HG12 VAL 54 HG12 VAL 54 3.395 1.522 -0.619 336 HG13 VAL 54 HG13 VAL 54 2.626 0.014 -0.038 337 HG21 VAL 54 HG21 VAL 54 1.256 0.195 -3.377 338 HG22 VAL 54 HG22 VAL 54 0.948 0.313 -1.644 339 HG23 VAL 54 HG23 VAL 54 1.683 1.689 -2.515 340 H LEU 55 H LEU 55 5.483 -1.490 -4.073 341 HA LEU 55 HA LEU 55 7.965 -0.656 -2.688 342 HB3 LEU 55 HB3 LEU 55 8.819 -2.758 -3.874 343 HG LEU 55 HG LEU 55 6.381 -3.083 -2.047 344 HD11 LEU 55 HD11 LEU 55 7.231 -5.360 -1.647 345 HD12 LEU 55 HD12 LEU 55 8.489 -5.111 -2.877 346 HD13 LEU 55 HD13 LEU 55 6.776 -5.124 -3.341 347 HD21 LEU 55 HD21 LEU 55 8.084 -3.538 -0.303 348 HD22 LEU 55 HD22 LEU 55 8.135 -1.879 -0.880 349 HD23 LEU 55 HD23 LEU 55 9.354 -3.047 -1.447 350 H GLN 56 H GLN 56 6.419 -0.513 -5.874 351 HA GLN 56 HA GLN 56 8.744 -0.342 -7.403 352 HB3 GLN 56 HB3 GLN 56 5.968 0.775 -7.968 353 HG3 GLN 56 HG3 GLN 56 7.526 1.768 -9.570 354 HE21 GLN 56 HE21 GLN 56 9.808 1.418 -9.074 355 HE22 GLN 56 HE22 GLN 56 10.683 0.128 -9.807 356 H GLN 57 H GLN 57 6.650 2.403 -6.678 357 HA GLN 57 HA GLN 57 8.434 4.489 -7.370 358 HB3 GLN 57 HB3 GLN 57 7.035 6.005 -6.331 359 HG3 GLN 57 HG3 GLN 57 5.002 3.784 -6.439 360 HE21 GLN 57 HE21 GLN 57 3.415 4.880 -8.371 361 HE22 GLN 57 HE22 GLN 57 2.879 6.515 -8.022 362 H PHE 58 H PHE 58 8.104 2.668 -4.276 363 HA PHE 58 HA PHE 58 9.845 4.308 -2.774 364 HB3 PHE 58 HB3 PHE 58 9.418 1.330 -2.433 365 HD1 PHE 58 HD1 PHE 58 8.763 4.159 0.001 366 HD2 PHE 58 HD2 PHE 58 11.404 0.919 -1.143 367 HE1 PHE 58 HE1 PHE 58 9.949 4.342 2.147 368 HE2 PHE 58 HE2 PHE 58 12.553 1.104 1.034 369 HZ PHE 58 HZ PHE 58 11.826 2.802 2.687 370 H LYS 59 H LYS 59 10.578 1.901 -5.187 371 HA LYS 59 HA LYS 59 13.478 1.756 -4.568 372 HB3 LYS 59 HB3 LYS 59 13.630 0.731 -6.866 373 HG3 LYS 59 HG3 LYS 59 11.701 -0.393 -4.849 374 HD3 LYS 59 HD3 LYS 59 11.149 -1.390 -7.046 375 HE3 LYS 59 HE3 LYS 59 14.119 -2.091 -7.043 376 HZ1 LYS 59 HZ1 LYS 59 11.869 -3.122 -8.636 377 HZ2 LYS 59 HZ2 LYS 59 13.206 -3.948 -8.034 378 HZ3 LYS 59 HZ3 LYS 59 13.320 -2.988 -9.336 379 H ASP 60 H ASP 60 11.468 4.028 -5.983 380 HA ASP 60 HA ASP 60 13.570 5.281 -7.662 381 HB3 ASP 60 HB3 ASP 60 10.776 4.565 -8.657 382 H SER 61 H SER 61 12.669 6.197 -5.189 383 HA SER 61 HA SER 61 11.345 8.722 -6.055 384 HB3 SER 61 HB3 SER 61 9.829 7.396 -4.750 385 HG SER 61 HG SER 61 11.232 7.810 -2.418 386 H ASP 62 H ASP 62 11.786 10.488 -4.415 387 HA ASP 62 HA ASP 62 14.627 11.085 -4.386 388 HB3 ASP 62 HB3 ASP 62 12.094 12.531 -3.526 389 H LEU 63 H LEU 63 15.306 9.287 -2.982 390 HA LEU 63 HA LEU 63 14.422 9.433 -0.155 391 HB3 LEU 63 HB3 LEU 63 15.481 7.161 -0.006 392 HG LEU 63 HG LEU 63 13.269 7.593 -2.044 393 HD11 LEU 63 HD11 LEU 63 14.151 4.999 -0.723 394 HD12 LEU 63 HD12 LEU 63 14.182 5.418 -2.466 395 HD13 LEU 63 HD13 LEU 63 12.644 5.255 -1.625 396 HD21 LEU 63 HD21 LEU 63 12.674 8.274 0.300 397 HD22 LEU 63 HD22 LEU 63 13.066 6.631 0.842 398 HD23 LEU 63 HD23 LEU 63 11.727 6.923 -0.296 399 H SER 64 H SER 64 16.936 10.558 -2.042 400 HA SER 64 HA SER 64 19.257 9.956 -0.971 401 HB3 SER 64 HB3 SER 64 20.053 12.161 -1.769 402 HG SER 64 HG SER 64 19.017 12.042 -3.872 403 H HIS 65 H HIS 65 17.019 12.257 0.705 404 HA HIS 65 HA HIS 65 18.598 11.818 3.112 405 HB3 HIS 65 HB3 HIS 65 18.248 14.732 2.332 406 HD1 HIS 65 HD1 HIS 65 18.066 14.664 5.274 407 HD2 HIS 65 HD2 HIS 65 21.673 13.679 3.322 408 HE1 HIS 65 HE1 HIS 65 19.893 14.823 7.017 409 H VAL 66 H VAL 66 16.239 10.772 2.820 410 HA VAL 66 HA VAL 66 14.069 12.574 3.565 411 HB VAL 66 HB VAL 66 14.404 9.593 3.133 412 HG11 VAL 66 HG11 VAL 66 11.868 10.918 4.162 413 HG12 VAL 66 HG12 VAL 66 11.973 9.301 3.439 414 HG13 VAL 66 HG13 VAL 66 12.837 9.633 4.937 415 HG21 VAL 66 HG21 VAL 66 14.293 11.040 1.227 416 HG22 VAL 66 HG22 VAL 66 12.749 10.167 1.334 417 HG23 VAL 66 HG23 VAL 66 12.841 11.861 1.828 418 H GLN 67 H GLN 67 13.181 12.883 5.546 419 HA GLN 67 HA GLN 67 14.986 12.415 7.813 420 HB3 GLN 67 HB3 GLN 67 14.043 14.565 7.780 421 HG3 GLN 67 HG3 GLN 67 11.335 13.242 7.440 422 HE21 GLN 67 HE21 GLN 67 12.888 16.443 8.322 423 HE22 GLN 67 HE22 GLN 67 11.536 16.998 9.247 424 H ASN 68 H ASN 68 12.069 10.880 6.479 425 HA ASN 68 HA ASN 68 12.499 8.711 8.321 426 HB3 ASN 68 HB3 ASN 68 9.865 10.205 8.462 427 HD21 ASN 68 HD21 ASN 68 8.365 9.180 10.073 428 HD22 ASN 68 HD22 ASN 68 8.601 7.465 10.459 429 H LYS 69 H LYS 69 12.612 7.173 6.710 430 HA LYS 69 HA LYS 69 11.160 7.185 4.286 431 HB3 LYS 69 HB3 LYS 69 11.519 4.475 4.859 432 HG3 LYS 69 HG3 LYS 69 12.333 5.886 2.845 433 HD3 LYS 69 HD3 LYS 69 14.687 6.029 4.764 434 HE3 LYS 69 HE3 LYS 69 14.939 6.023 1.730 435 HZ1 LYS 69 HZ1 LYS 69 16.900 5.743 3.912 436 HZ2 LYS 69 HZ2 LYS 69 16.718 7.093 3.002 437 HZ3 LYS 69 HZ3 LYS 69 17.245 5.657 2.304 438 H SER 70 H SER 70 10.100 5.727 7.454 439 HA SER 70 HA SER 70 7.997 4.263 6.462 440 HB3 SER 70 HB3 SER 70 7.369 3.966 8.560 441 HG SER 70 HG SER 70 9.227 5.226 9.974 442 H ALA 71 H ALA 71 7.927 7.682 7.437 443 HA ALA 71 HA ALA 71 5.155 8.103 6.950 444 HB1 ALA 71 HB1 ALA 71 7.501 10.045 6.866 445 HB2 ALA 71 HB2 ALA 71 5.781 10.500 6.947 446 HB3 ALA 71 HB3 ALA 71 6.527 9.610 8.289 447 H PHE 72 H PHE 72 7.912 7.996 4.740 448 HA PHE 72 HA PHE 72 6.508 9.160 2.510 449 HB3 PHE 72 HB3 PHE 72 8.783 7.214 2.130 450 HD1 PHE 72 HD1 PHE 72 7.596 7.397 -0.217 451 HD2 PHE 72 HD2 PHE 72 9.490 10.729 1.787 452 HE1 PHE 72 HE1 PHE 72 7.607 8.668 -2.322 453 HE2 PHE 72 HE2 PHE 72 9.550 11.965 -0.348 454 HZ PHE 72 HZ PHE 72 8.551 10.967 -2.410 455 H LEU 73 H LEU 73 7.194 5.700 3.560 456 HA LEU 73 HA LEU 73 5.949 4.614 1.269 457 HB3 LEU 73 HB3 LEU 73 6.599 3.419 3.998 458 HG LEU 73 HG LEU 73 5.371 1.728 2.776 459 HD11 LEU 73 HD11 LEU 73 7.153 2.389 0.389 460 HD12 LEU 73 HD12 LEU 73 5.389 2.549 0.476 461 HD13 LEU 73 HD13 LEU 73 6.142 0.953 0.516 462 HD21 LEU 73 HD21 LEU 73 7.412 1.033 3.919 463 HD22 LEU 73 HD22 LEU 73 8.395 1.404 2.484 464 HD23 LEU 73 HD23 LEU 73 7.232 0.076 2.409 465 H CYS 74 H CYS 74 4.714 5.449 4.493 466 HA CYS 74 HA CYS 74 2.175 4.175 4.261 467 HB3 CYS 74 HB3 CYS 74 2.730 6.784 5.725 468 HG CYS 74 HG CYS 74 1.148 4.011 6.514 469 H GLY 75 H GLY 75 3.355 7.405 3.272 470 HA2 GLY 75 HA2 GLY 75 0.936 8.498 2.272 471 HA3 GLY 75 HA3 GLY 75 2.583 8.925 1.759 472 H VAL 76 H VAL 76 3.598 6.785 0.552 473 HA VAL 76 HA VAL 76 2.472 6.537 -1.976 474 HB VAL 76 HB VAL 76 4.309 4.723 -0.397 475 HG11 VAL 76 HG11 VAL 76 4.949 3.569 -2.394 476 HG12 VAL 76 HG12 VAL 76 3.228 3.325 -2.139 477 HG13 VAL 76 HG13 VAL 76 3.758 4.476 -3.378 478 HG21 VAL 76 HG21 VAL 76 5.169 6.998 -1.070 479 HG22 VAL 76 HG22 VAL 76 6.073 5.650 -1.780 480 HG23 VAL 76 HG23 VAL 76 4.905 6.545 -2.769 481 H MET 77 H MET 77 2.013 4.092 0.741 482 HA MET 77 HA MET 77 0.296 2.579 -0.935 483 HB3 MET 77 HB3 MET 77 1.553 1.656 0.933 484 HG3 MET 77 HG3 MET 77 -0.755 2.699 2.589 485 HE1 MET 77 HE1 MET 77 2.438 0.004 2.477 486 HE2 MET 77 HE2 MET 77 2.933 1.616 3.097 487 HE3 MET 77 HE3 MET 77 2.809 0.216 4.192 488 H LYS 78 H LYS 78 -0.476 5.479 0.797 489 HA LYS 78 HA LYS 78 -3.400 4.898 0.546 490 HB3 LYS 78 HB3 LYS 78 -3.606 7.139 1.681 491 HG3 LYS 78 HG3 LYS 78 -2.048 4.972 3.182 492 HD3 LYS 78 HD3 LYS 78 -3.496 5.836 5.092 493 HE3 LYS 78 HE3 LYS 78 -1.183 7.299 3.847 494 HZ1 LYS 78 HZ1 LYS 78 -2.650 8.308 6.201 495 HZ2 LYS 78 HZ2 LYS 78 -2.420 9.073 4.762 496 HZ3 LYS 78 HZ3 LYS 78 -1.119 8.760 5.713 497 H THR 79 H THR 79 -0.817 6.419 -1.265 498 HA THR 79 HA THR 79 -2.675 8.073 -2.833 499 HB THR 79 HB THR 79 0.212 7.346 -3.386 500 HG1 THR 79 HG1 THR 79 -0.055 8.387 -1.302 501 HG21 THR 79 HG21 THR 79 0.187 9.539 -4.597 502 HG22 THR 79 HG22 THR 79 -1.537 9.714 -4.231 503 HG23 THR 79 HG23 THR 79 -0.979 8.403 -5.291 504 H TYR 80 H TYR 80 -0.723 5.032 -3.439 505 HA TYR 80 HA TYR 80 -1.211 5.026 -6.116 506 HB3 TYR 80 HB3 TYR 80 0.378 3.601 -4.702 507 HD1 TYR 80 HD1 TYR 80 -0.819 2.829 -2.603 508 HD2 TYR 80 HD2 TYR 80 -1.253 0.865 -6.382 509 HE1 TYR 80 HE1 TYR 80 -1.670 0.815 -1.426 510 HE2 TYR 80 HE2 TYR 80 -2.234 -1.104 -5.282 511 HH TYR 80 HH TYR 80 -3.107 -1.909 -3.247 512 H ARG 81 H ARG 81 -3.395 3.515 -3.754 513 HA ARG 81 HA ARG 81 -5.079 2.039 -5.485 514 HB3 ARG 81 HB3 ARG 81 -6.775 2.211 -3.669 515 HG3 ARG 81 HG3 ARG 81 -3.938 1.631 -2.904 516 HD3 ARG 81 HD3 ARG 81 -6.195 1.457 -0.884 517 HE ARG 81 HE ARG 81 -3.286 1.190 -0.302 518 HH11 ARG 81 HH11 ARG 81 -6.541 -0.300 -0.132 519 HH12 ARG 81 HH12 ARG 81 -5.981 -1.736 0.633 520 HH21 ARG 81 HH21 ARG 81 -2.534 -0.903 0.609 521 HH22 ARG 81 HH22 ARG 81 -3.756 -1.869 1.358 522 H GLN 82 H GLN 82 -4.786 5.477 -5.080 523 HA GLN 82 HA GLN 82 -7.452 6.184 -6.025 524 HB3 GLN 82 HB3 GLN 82 -6.595 8.458 -6.015 525 HG3 GLN 82 HG3 GLN 82 -5.418 6.940 -3.695 526 HE21 GLN 82 HE21 GLN 82 -4.741 8.207 -1.934 527 HE22 GLN 82 HE22 GLN 82 -4.827 9.955 -1.961 528 H ARG 83 H ARG 83 -4.154 6.339 -7.272 529 HA ARG 83 HA ARG 83 -5.029 6.937 -9.967 530 HB3 ARG 83 HB3 ARG 83 -2.813 7.563 -9.202 531 HG3 ARG 83 HG3 ARG 83 -2.012 4.627 -9.522 532 HD3 ARG 83 HD3 ARG 83 0.117 6.096 -8.501 533 HE ARG 83 HE ARG 83 -0.209 4.527 -10.790 534 HH11 ARG 83 HH11 ARG 83 1.584 7.553 -10.124 535 HH12 ARG 83 HH12 ARG 83 3.057 6.949 -10.826 536 HH21 ARG 83 HH21 ARG 83 1.665 3.986 -12.085 537 HH22 ARG 83 HH22 ARG 83 3.106 4.944 -11.913 538 H GLU 84 H GLU 84 -4.218 3.814 -8.462 539 HA GLU 84 HA GLU 84 -4.472 2.172 -10.772 540 HB3 GLU 84 HB3 GLU 84 -5.063 0.410 -8.907 541 HG3 GLU 84 HG3 GLU 84 -2.864 0.434 -7.836 542 H LYS 85 H LYS 85 -7.028 4.104 -9.566 543 HA LYS 85 HA LYS 85 -8.997 2.336 -10.732 544 HB3 LYS 85 HB3 LYS 85 -9.903 3.074 -8.002 545 HG3 LYS 85 HG3 LYS 85 -9.682 0.555 -9.694 546 HD3 LYS 85 HD3 LYS 85 -10.600 0.665 -6.805 547 HE3 LYS 85 HE3 LYS 85 -11.739 -0.866 -8.627 548 HZ1 LYS 85 HZ1 LYS 85 -9.465 -1.801 -9.278 549 HZ2 LYS 85 HZ2 LYS 85 -10.681 -2.881 -8.993 550 HZ3 LYS 85 HZ3 LYS 85 -9.492 -2.599 -7.860 551 H GLN 86 H GLN 86 -11.290 3.511 -10.117 552 HA GLN 86 HA GLN 86 -11.045 6.140 -11.319 553 HB3 GLN 86 HB3 GLN 86 -12.959 4.856 -11.892 554 HG3 GLN 86 HG3 GLN 86 -13.722 4.781 -8.944 555 HE21 GLN 86 HE21 GLN 86 -15.387 2.295 -9.910 556 HE22 GLN 86 HE22 GLN 86 -16.862 3.108 -10.416 557 H GLY 87 H GLY 87 -11.644 8.181 -10.429 558 HA2 GLY 87 HA2 GLY 87 -12.639 8.899 -8.020 559 HA3 GLY 87 HA3 GLY 87 -10.936 8.592 -7.642 560 H THR 88 H THR 88 -10.372 9.474 -10.623 561 HA THR 88 HA THR 88 -9.878 12.186 -10.417 562 HB THR 88 HB THR 88 -8.782 10.377 -11.698 563 HG1 THR 88 HG1 THR 88 -8.106 11.747 -13.099 564 HG21 THR 88 HG21 THR 88 -9.600 9.634 -13.882 565 HG22 THR 88 HG22 THR 88 -11.180 10.374 -13.543 566 HG23 THR 88 HG23 THR 88 -10.571 9.038 -12.540 567 H LYS 89 H LYS 89 -10.739 13.222 -12.593 568 HA LYS 89 HA LYS 89 -13.751 13.142 -12.707 569 HB3 LYS 89 HB3 LYS 89 -13.599 15.191 -14.198 570 HG3 LYS 89 HG3 LYS 89 -12.819 15.910 -11.382 571 HD3 LYS 89 HD3 LYS 89 -14.549 17.597 -11.602 572 HE3 LYS 89 HE3 LYS 89 -13.139 17.508 -14.289 573 HZ1 LYS 89 HZ1 LYS 89 -13.185 19.816 -14.217 574 HZ2 LYS 89 HZ2 LYS 89 -13.559 19.888 -12.651 575 HZ3 LYS 89 HZ3 LYS 89 -14.717 19.391 -13.741 576 H VAL 90 H VAL 90 -14.623 12.942 -14.765 577 HA VAL 90 HA VAL 90 -13.163 12.628 -17.146 578 HB VAL 90 HB VAL 90 -12.507 10.481 -16.367 579 HG11 VAL 90 HG11 VAL 90 -13.986 8.692 -15.631 580 HG12 VAL 90 HG12 VAL 90 -14.066 10.058 -14.518 581 HG13 VAL 90 HG13 VAL 90 -15.384 9.777 -15.681 582 HG21 VAL 90 HG21 VAL 90 -13.453 9.025 -18.040 583 HG22 VAL 90 HG22 VAL 90 -14.890 10.059 -18.208 584 HG23 VAL 90 HG23 VAL 90 -13.290 10.654 -18.708 585 H ALA 91 H ALA 91 -14.566 13.714 -18.365 586 HA ALA 91 HA ALA 91 -17.504 13.420 -17.971 587 HB1 ALA 91 HB1 ALA 91 -15.909 16.006 -18.254 588 HB2 ALA 91 HB2 ALA 91 -17.682 15.868 -18.249 589 HB3 ALA 91 HB3 ALA 91 -16.758 15.446 -16.794 590 H ASP 92 H ASP 92 -17.921 12.261 -19.832 591 HA ASP 92 HA ASP 92 -16.917 13.361 -22.423 592 HB3 ASP 92 HB3 ASP 92 -17.440 10.426 -21.932 593 H SER 93 H SER 93 -18.403 12.417 -24.234 594 HA SER 93 HA SER 93 -21.036 13.485 -23.746 595 HB3 SER 93 HB3 SER 93 -21.253 13.342 -26.094 596 HG SER 93 HG SER 93 -18.696 13.820 -26.497 597 H SER 94 H SER 94 -20.870 11.172 -22.245 598 HA SER 94 HA SER 94 -22.926 9.432 -23.303 599 HB3 SER 94 HB3 SER 94 -20.140 8.279 -22.821 600 HG SER 94 HG SER 94 -21.226 6.474 -23.894 601 H LYS 95 H LYS 95 -24.140 9.447 -21.557 602 HA LYS 95 HA LYS 95 -23.124 8.519 -18.964 603 HB3 LYS 95 HB3 LYS 95 -24.487 10.235 -17.725 604 HG3 LYS 95 HG3 LYS 95 -23.308 12.399 -18.435 605 HD3 LYS 95 HD3 LYS 95 -22.390 11.385 -16.504 606 HE3 LYS 95 HE3 LYS 95 -21.291 9.308 -18.396 607 HZ1 LYS 95 HZ1 LYS 95 -20.144 9.943 -15.769 608 HZ2 LYS 95 HZ2 LYS 95 -19.418 10.073 -17.280 609 HZ3 LYS 95 HZ3 LYS 95 -19.835 8.615 -16.693 610 H GLY 96 H GLY 96 -24.280 6.680 -18.810 611 HA2 GLY 96 HA2 GLY 96 -27.265 6.840 -18.956 612 HA3 GLY 96 HA3 GLY 96 -26.360 5.511 -19.685 613 HA PRO 97 HA PRO 97 -25.628 5.140 -14.940 614 HB3 PRO 97 HB3 PRO 97 -25.800 7.204 -13.908 615 HG3 PRO 97 HG3 PRO 97 -27.487 8.772 -14.562 616 HD3 PRO 97 HD3 PRO 97 -26.317 8.240 -16.545 617 H ASP 98 H ASP 98 -26.748 3.912 -13.206 618 HA ASP 98 HA ASP 98 -29.394 2.906 -13.565 619 HB3 ASP 98 HB3 ASP 98 -28.505 1.691 -15.470 620 H GLU 99 H GLU 99 -29.275 3.663 -11.360 621 HA GLU 99 HA GLU 99 -27.892 1.920 -9.428 622 HB3 GLU 99 HB3 GLU 99 -27.486 4.324 -9.130 623 HG3 GLU 99 HG3 GLU 99 -30.512 4.606 -8.808 624 H ALA 100 H ALA 100 -29.405 1.361 -7.534 625 HA ALA 100 HA ALA 100 -32.257 1.462 -8.027 626 HB1 ALA 100 HB1 ALA 100 -31.801 -0.385 -9.563 627 HB2 ALA 100 HB2 ALA 100 -30.865 -1.246 -8.332 628 HB3 ALA 100 HB3 ALA 100 -32.619 -1.014 -8.125 629 H LYS 101 H LYS 101 -29.815 -0.551 -6.336 630 HA LYS 101 HA LYS 101 -31.677 -1.049 -4.135 631 HB3 LYS 101 HB3 LYS 101 -29.875 -2.593 -3.368 632 HG3 LYS 101 HG3 LYS 101 -30.547 -2.789 -6.337 633 HD3 LYS 101 HD3 LYS 101 -29.371 -4.964 -4.555 634 HE3 LYS 101 HE3 LYS 101 -30.291 -4.812 -7.462 635 HZ1 LYS 101 HZ1 LYS 101 -28.129 -5.933 -7.275 636 HZ2 LYS 101 HZ2 LYS 101 -29.308 -6.938 -7.804 637 HZ3 LYS 101 HZ3 LYS 101 -28.799 -7.077 -6.279 638 H ILE 102 H ILE 102 -30.137 1.624 -4.658 639 HA ILE 102 HA ILE 102 -28.142 2.232 -3.049 640 HB ILE 102 HB ILE 102 -29.024 3.632 -4.746 641 HG13 ILE 102 HG13 ILE 102 -27.662 4.558 -2.806 642 HG21 ILE 102 HG21 ILE 102 -31.499 3.368 -4.332 643 HG22 ILE 102 HG22 ILE 102 -31.326 4.561 -3.013 644 HG23 ILE 102 HG23 ILE 102 -30.959 4.999 -4.691 645 HD11 ILE 102 HD11 ILE 102 -29.397 6.630 -4.208 646 HD12 ILE 102 HD12 ILE 102 -27.814 6.890 -3.464 647 HD13 ILE 102 HD13 ILE 102 -27.949 5.867 -4.908 648 H LYS 103 H LYS 103 -31.423 2.457 -1.954 649 HA LYS 103 HA LYS 103 -30.909 3.990 0.349 650 HB3 LYS 103 HB3 LYS 103 -33.157 3.349 1.126 651 HG3 LYS 103 HG3 LYS 103 -33.214 3.678 -1.902 652 HD3 LYS 103 HD3 LYS 103 -34.831 5.064 0.273 653 HE3 LYS 103 HE3 LYS 103 -36.273 5.748 -1.634 654 HZ1 LYS 103 HZ1 LYS 103 -34.769 7.287 -2.714 655 HZ2 LYS 103 HZ2 LYS 103 -33.453 6.484 -2.165 656 HZ3 LYS 103 HZ3 LYS 103 -34.442 7.255 -1.102 657 H ALA 104 H ALA 104 -30.210 0.770 0.099 658 HA ALA 104 HA ALA 104 -29.998 0.148 2.985 659 HB1 ALA 104 HB1 ALA 104 -28.951 -1.955 2.111 660 HB2 ALA 104 HB2 ALA 104 -30.543 -1.666 1.409 661 HB3 ALA 104 HB3 ALA 104 -29.090 -1.313 0.455 662 H LEU 105 H LEU 105 -27.363 -0.981 2.782 663 HA LEU 105 HA LEU 105 -25.137 -0.522 2.902 664 HB3 LEU 105 HB3 LEU 105 -24.293 0.750 0.782 665 HG LEU 105 HG LEU 105 -24.598 -1.008 -0.741 666 HD11 LEU 105 HD11 LEU 105 -23.566 -2.833 0.413 667 HD12 LEU 105 HD12 LEU 105 -24.219 -2.317 1.975 668 HD13 LEU 105 HD13 LEU 105 -22.986 -1.336 1.152 669 HD21 LEU 105 HD21 LEU 105 -26.592 -2.311 1.143 670 HD22 LEU 105 HD22 LEU 105 -25.985 -2.958 -0.385 671 HD23 LEU 105 HD23 LEU 105 -26.975 -1.484 -0.394 672 H LEU 106 H LEU 106 -26.594 1.206 4.563 673 HA LEU 106 HA LEU 106 -25.367 3.834 4.431 674 HB3 LEU 106 HB3 LEU 106 -27.614 3.483 5.402 675 HG LEU 106 HG LEU 106 -26.149 2.152 7.739 676 HD11 LEU 106 HD11 LEU 106 -28.963 3.310 7.567 677 HD12 LEU 106 HD12 LEU 106 -27.628 3.944 8.538 678 HD13 LEU 106 HD13 LEU 106 -28.303 2.369 8.929 679 HD21 LEU 106 HD21 LEU 106 -28.522 1.252 6.034 680 HD22 LEU 106 HD22 LEU 106 -27.954 0.455 7.520 681 HD23 LEU 106 HD23 LEU 106 -26.920 0.472 6.127 682 H GLU 107 H GLU 107 -23.806 4.685 5.941 683 HA GLU 107 HA GLU 107 -22.743 2.929 7.980 684 HB3 GLU 107 HB3 GLU 107 -20.838 3.899 5.804 685 HG3 GLU 107 HG3 GLU 107 -20.543 2.658 8.534 686 H ARG 108 H ARG 108 -23.080 4.323 9.621 687 HA ARG 108 HA ARG 108 -21.507 6.836 9.689 688 HB3 ARG 108 HB3 ARG 108 -24.391 6.816 10.586 689 HG3 ARG 108 HG3 ARG 108 -22.918 9.087 9.208 690 HD3 ARG 108 HD3 ARG 108 -25.145 8.925 11.287 691 HE ARG 108 HE ARG 108 -24.413 11.035 11.666 692 HH11 ARG 108 HH11 ARG 108 -24.555 10.648 8.091 693 HH12 ARG 108 HH12 ARG 108 -24.680 12.359 7.834 694 HH21 ARG 108 HH21 ARG 108 -24.499 13.270 11.227 695 HH22 ARG 108 HH22 ARG 108 -24.354 13.849 9.590 696 H THR 109 H THR 109 -22.386 3.955 11.363 697 HA THR 109 HA THR 109 -22.094 5.318 13.979 698 HB THR 109 HB THR 109 -24.157 3.625 14.399 699 HG1 THR 109 HG1 THR 109 -24.770 3.337 12.238 700 HG21 THR 109 HG21 THR 109 -25.549 5.654 14.571 701 HG22 THR 109 HG22 THR 109 -24.310 6.571 13.687 702 HG23 THR 109 HG23 THR 109 -23.950 5.870 15.284 703 H GLY 110 H GLY 110 -20.064 4.283 13.609 704 HA2 GLY 110 HA2 GLY 110 -19.774 2.332 15.617 705 HA3 GLY 110 HA3 GLY 110 -19.584 1.486 14.067 706 H TYR 111 H TYR 111 -17.637 2.003 16.181 707 HA TYR 111 HA TYR 111 -15.453 3.236 14.594 708 HB3 TYR 111 HB3 TYR 111 -14.788 4.701 16.260 709 HD1 TYR 111 HD1 TYR 111 -16.251 6.180 14.811 710 HD2 TYR 111 HD2 TYR 111 -17.765 4.021 18.189 711 HE1 TYR 111 HE1 TYR 111 -18.342 7.510 14.676 712 HE2 TYR 111 HE2 TYR 111 -19.899 5.366 18.105 713 HH TYR 111 HH TYR 111 -20.487 7.748 15.468 714 H THR 112 H THR 112 -13.332 2.827 16.255 715 HA THR 112 HA THR 112 -13.579 0.039 17.134 716 HB THR 112 HB THR 112 -10.880 1.055 16.313 717 HG1 THR 112 HG1 THR 112 -11.297 0.598 14.165 718 HG21 THR 112 HG21 THR 112 -11.329 -1.324 17.062 719 HG22 THR 112 HG22 THR 112 -10.656 -1.218 15.436 720 HG23 THR 112 HG23 THR 112 -12.395 -1.523 15.660 721 H LEU 113 H LEU 113 -11.023 -0.093 18.380 722 HA LEU 113 HA LEU 113 -11.420 1.453 20.816 723 HB3 LEU 113 HB3 LEU 113 -8.896 -0.056 20.163 724 HG LEU 113 HG LEU 113 -9.635 1.088 22.473 725 HD11 LEU 113 HD11 LEU 113 -11.854 -0.044 22.563 726 HD12 LEU 113 HD12 LEU 113 -10.846 -0.418 23.966 727 HD13 LEU 113 HD13 LEU 113 -11.041 -1.614 22.662 728 HD21 LEU 113 HD21 LEU 113 -7.590 -0.267 22.112 729 HD22 LEU 113 HD22 LEU 113 -8.530 -1.742 22.411 730 HD23 LEU 113 HD23 LEU 113 -8.312 -0.526 23.698 731 H ASP 114 H ASP 114 -8.734 2.079 21.328 732 HA ASP 114 HA ASP 114 -8.555 4.693 20.151 733 HB3 ASP 114 HB3 ASP 114 -6.741 4.973 21.833 734 H VAL 115 H VAL 115 -8.182 3.240 18.022 735 HA VAL 115 HA VAL 115 -5.260 3.194 17.489 736 HB VAL 115 HB VAL 115 -5.842 0.965 18.152 737 HG11 VAL 115 HG11 VAL 115 -8.195 0.803 17.882 738 HG12 VAL 115 HG12 VAL 115 -8.107 1.142 16.149 739 HG13 VAL 115 HG13 VAL 115 -7.506 -0.400 16.788 740 HG21 VAL 115 HG21 VAL 115 -4.260 1.228 16.244 741 HG22 VAL 115 HG22 VAL 115 -5.096 -0.324 16.282 742 HG23 VAL 115 HG23 VAL 115 -5.610 0.911 15.121 743 H THR 116 H THR 116 -4.662 3.452 15.385 744 HA THR 116 HA THR 116 -6.120 5.087 13.629 745 HB THR 116 HB THR 116 -3.695 5.035 14.061 746 HG1 THR 116 HG1 THR 116 -4.737 4.939 11.511 747 HG21 THR 116 HG21 THR 116 -3.501 2.560 12.304 748 HG22 THR 116 HG22 THR 116 -3.268 2.578 14.059 749 HG23 THR 116 HG23 THR 116 -2.174 3.489 13.019 750 H THR 117 H THR 117 -7.883 2.878 13.946 751 HA THR 117 HA THR 117 -7.773 1.170 11.601 752 HB THR 117 HB THR 117 -10.142 2.008 13.335 753 HG1 THR 117 HG1 THR 117 -8.967 -0.510 13.620 754 HG21 THR 117 HG21 THR 117 -10.984 1.017 11.347 755 HG22 THR 117 HG22 THR 117 -11.024 -0.279 12.539 756 HG23 THR 117 HG23 THR 117 -9.738 -0.247 11.318 757 H GLY 118 H GLY 118 -7.810 2.075 9.594 758 HA2 GLY 118 HA2 GLY 118 -9.423 2.979 7.938 759 HA3 GLY 118 HA3 GLY 118 -9.652 4.370 9.016 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 -10.566 -3.280 -9.961 2 HA2 GLY 1 HA2 GLY 1 -9.646 -2.292 -11.976 3 HA3 GLY 1 HA3 GLY 1 -8.780 -1.127 -10.968 4 H SER 2 H SER 2 -7.115 -2.072 -9.391 5 HA SER 2 HA SER 2 -6.398 -4.881 -10.025 6 HB3 SER 2 HB3 SER 2 -4.441 -2.867 -8.956 7 HG SER 2 HG SER 2 -3.287 -4.784 -10.273 8 H GLU 3 H GLU 3 -5.388 -5.847 -8.107 9 HA GLU 3 HA GLU 3 -7.195 -5.788 -5.844 10 HB3 GLU 3 HB3 GLU 3 -6.290 -7.828 -6.649 11 HG3 GLU 3 HG3 GLU 3 -3.511 -7.526 -5.618 12 H ASN 4 H ASN 4 -3.927 -4.654 -6.518 13 HA ASN 4 HA ASN 4 -3.055 -4.077 -3.891 14 HB3 ASN 4 HB3 ASN 4 -2.339 -3.074 -6.658 15 HD21 ASN 4 HD21 ASN 4 -2.471 -0.808 -6.466 16 HD22 ASN 4 HD22 ASN 4 -1.429 0.056 -5.313 17 H PHE 5 H PHE 5 -5.117 -2.188 -6.084 18 HA PHE 5 HA PHE 5 -4.751 0.311 -5.008 19 HB3 PHE 5 HB3 PHE 5 -7.379 -0.834 -6.037 20 HD1 PHE 5 HD1 PHE 5 -5.434 2.306 -5.310 21 HD2 PHE 5 HD2 PHE 5 -8.976 0.627 -7.100 22 HE1 PHE 5 HE1 PHE 5 -6.366 4.565 -5.592 23 HE2 PHE 5 HE2 PHE 5 -9.945 2.895 -7.304 24 HZ PHE 5 HZ PHE 5 -8.611 4.873 -6.610 25 H GLN 6 H GLN 6 -7.011 -2.208 -3.944 26 HA GLN 6 HA GLN 6 -8.146 -0.505 -1.856 27 HB3 GLN 6 HB3 GLN 6 -8.603 -3.424 -2.565 28 HG3 GLN 6 HG3 GLN 6 -9.579 -2.848 -0.352 29 HE21 GLN 6 HE21 GLN 6 -10.565 -1.233 1.051 30 HE22 GLN 6 HE22 GLN 6 -11.188 0.244 0.350 31 H THR 7 H THR 7 -5.560 -2.973 -2.017 32 HA THR 7 HA THR 7 -5.912 -3.911 0.669 33 HB THR 7 HB THR 7 -4.472 -4.879 -1.273 34 HG1 THR 7 HG1 THR 7 -3.525 -6.106 0.158 35 HG21 THR 7 HG21 THR 7 -2.804 -3.049 -1.543 36 HG22 THR 7 HG22 THR 7 -2.044 -4.550 -1.043 37 HG23 THR 7 HG23 THR 7 -2.292 -3.261 0.133 38 H LEU 8 H LEU 8 -4.357 -1.157 -0.712 39 HA LEU 8 HA LEU 8 -2.897 -0.115 1.466 40 HB3 LEU 8 HB3 LEU 8 -3.079 2.017 0.075 41 HG LEU 8 HG LEU 8 -2.469 -0.596 -1.396 42 HD11 LEU 8 HD11 LEU 8 -1.558 0.609 -3.203 43 HD12 LEU 8 HD12 LEU 8 -1.842 2.169 -2.395 44 HD13 LEU 8 HD13 LEU 8 -3.213 1.180 -2.990 45 HD21 LEU 8 HD21 LEU 8 -0.625 1.588 -0.329 46 HD22 LEU 8 HD22 LEU 8 -0.149 0.084 -1.150 47 HD23 LEU 8 HD23 LEU 8 -0.918 0.003 0.426 48 H LEU 9 H LEU 9 -6.235 0.696 0.279 49 HA LEU 9 HA LEU 9 -6.858 2.555 2.317 50 HB3 LEU 9 HB3 LEU 9 -9.253 1.731 1.660 51 HG LEU 9 HG LEU 9 -9.338 2.730 -0.511 52 HD11 LEU 9 HD11 LEU 9 -8.846 4.994 0.138 53 HD12 LEU 9 HD12 LEU 9 -7.714 4.460 1.403 54 HD13 LEU 9 HD13 LEU 9 -9.458 4.139 1.556 55 HD21 LEU 9 HD21 LEU 9 -7.366 3.755 -1.529 56 HD22 LEU 9 HD22 LEU 9 -7.223 2.004 -1.364 57 HD23 LEU 9 HD23 LEU 9 -6.350 3.085 -0.243 58 H ASP 10 H ASP 10 -7.266 -0.990 2.135 59 HA ASP 10 HA ASP 10 -8.546 -1.267 4.720 60 HB3 ASP 10 HB3 ASP 10 -7.114 -3.275 2.961 61 H ALA 11 H ALA 11 -5.489 -0.180 4.185 62 HA ALA 11 HA ALA 11 -4.347 -1.529 6.588 63 HB1 ALA 11 HB1 ALA 11 -2.197 -1.377 5.583 64 HB2 ALA 11 HB2 ALA 11 -3.266 -2.188 4.442 65 HB3 ALA 11 HB3 ALA 11 -2.834 -0.480 4.179 66 H GLY 12 H GLY 12 -6.022 0.881 6.493 67 HA2 GLY 12 HA2 GLY 12 -6.063 2.799 7.761 68 HA3 GLY 12 HA3 GLY 12 -4.398 2.478 8.225 69 H LEU 13 H LEU 13 -4.687 2.650 4.808 70 HA LEU 13 HA LEU 13 -3.187 5.190 4.870 71 HB3 LEU 13 HB3 LEU 13 -2.437 4.586 2.669 72 HG LEU 13 HG LEU 13 -2.571 1.949 4.188 73 HD11 LEU 13 HD11 LEU 13 -1.784 1.757 1.936 74 HD12 LEU 13 HD12 LEU 13 -0.428 1.549 3.032 75 HD13 LEU 13 HD13 LEU 13 -0.635 3.074 2.146 76 HD21 LEU 13 HD21 LEU 13 -0.144 2.962 4.838 77 HD22 LEU 13 HD22 LEU 13 -1.568 3.041 5.888 78 HD23 LEU 13 HD23 LEU 13 -1.116 4.435 4.913 79 HA PRO 14 HA PRO 14 -6.444 7.536 2.942 80 HB3 PRO 14 HB3 PRO 14 -5.092 9.377 3.575 81 HG3 PRO 14 HG3 PRO 14 -2.744 9.368 3.202 82 HD3 PRO 14 HD3 PRO 14 -3.080 7.447 4.467 83 H GLN 15 H GLN 15 -7.396 7.946 0.894 84 HA GLN 15 HA GLN 15 -6.802 6.120 -1.198 85 HB3 GLN 15 HB3 GLN 15 -8.480 8.655 -1.114 86 HG3 GLN 15 HG3 GLN 15 -8.133 6.620 -3.275 87 HE21 GLN 15 HE21 GLN 15 -9.888 5.256 -3.475 88 HE22 GLN 15 HE22 GLN 15 -11.552 5.811 -3.359 89 H LYS 16 H LYS 16 -6.016 9.634 -0.864 90 HA LYS 16 HA LYS 16 -4.963 9.933 -3.423 91 HB3 LYS 16 HB3 LYS 16 -5.469 11.849 -2.139 92 HG3 LYS 16 HG3 LYS 16 -3.143 11.147 -0.327 93 HD3 LYS 16 HD3 LYS 16 -5.190 13.415 -0.346 94 HE3 LYS 16 HE3 LYS 16 -3.121 12.820 1.810 95 HZ1 LYS 16 HZ1 LYS 16 -3.721 15.104 1.778 96 HZ2 LYS 16 HZ2 LYS 16 -4.571 14.401 3.016 97 HZ3 LYS 16 HZ3 LYS 16 -5.330 14.776 1.613 98 H VAL 17 H VAL 17 -3.434 8.159 -0.790 99 HA VAL 17 HA VAL 17 -0.824 8.172 -2.161 100 HB VAL 17 HB VAL 17 -1.984 6.617 0.182 101 HG11 VAL 17 HG11 VAL 17 0.259 5.717 0.598 102 HG12 VAL 17 HG12 VAL 17 -0.420 5.077 -0.896 103 HG13 VAL 17 HG13 VAL 17 0.817 6.349 -0.968 104 HG21 VAL 17 HG21 VAL 17 -1.311 9.087 0.429 105 HG22 VAL 17 HG22 VAL 17 -0.491 7.935 1.478 106 HG23 VAL 17 HG23 VAL 17 0.333 8.579 0.049 107 H ALA 18 H ALA 18 -3.547 5.851 -1.685 108 HA ALA 18 HA ALA 18 -2.625 3.801 -3.289 109 HB1 ALA 18 HB1 ALA 18 -4.647 3.804 -1.771 110 HB2 ALA 18 HB2 ALA 18 -5.548 4.672 -3.038 111 HB3 ALA 18 HB3 ALA 18 -4.925 3.042 -3.333 112 H GLU 19 H GLU 19 -4.457 6.629 -4.322 113 HA GLU 19 HA GLU 19 -4.928 6.013 -7.001 114 HB3 GLU 19 HB3 GLU 19 -5.026 8.536 -7.230 115 HG3 GLU 19 HG3 GLU 19 -6.646 8.576 -5.002 116 H LYS 20 H LYS 20 -1.815 6.827 -5.570 117 HA LYS 20 HA LYS 20 -0.652 7.506 -8.226 118 HB3 LYS 20 HB3 LYS 20 1.392 8.034 -6.707 119 HG3 LYS 20 HG3 LYS 20 -0.117 9.629 -7.978 120 HD3 LYS 20 HD3 LYS 20 -1.005 10.749 -5.340 121 HE3 LYS 20 HE3 LYS 20 -2.936 11.474 -6.580 122 HZ1 LYS 20 HZ1 LYS 20 -0.752 11.882 -8.506 123 HZ2 LYS 20 HZ2 LYS 20 -0.680 12.611 -7.039 124 HZ3 LYS 20 HZ3 LYS 20 -1.932 12.916 -8.062 125 H LEU 21 H LEU 21 -0.998 4.880 -6.116 126 HA LEU 21 HA LEU 21 1.620 3.633 -6.817 127 HB3 LEU 21 HB3 LEU 21 -0.574 3.012 -4.791 128 HG LEU 21 HG LEU 21 0.350 0.891 -5.257 129 HD11 LEU 21 HD11 LEU 21 3.079 2.223 -5.317 130 HD12 LEU 21 HD12 LEU 21 2.353 1.137 -6.522 131 HD13 LEU 21 HD13 LEU 21 2.914 0.510 -4.998 132 HD21 LEU 21 HD21 LEU 21 1.049 0.346 -3.151 133 HD22 LEU 21 HD22 LEU 21 0.387 1.957 -2.819 134 HD23 LEU 21 HD23 LEU 21 2.126 1.748 -2.994 135 H ASP 22 H ASP 22 -1.946 3.054 -7.062 136 HA ASP 22 HA ASP 22 -1.646 0.458 -8.023 137 HB3 ASP 22 HB3 ASP 22 -3.831 2.255 -9.089 138 H GLU 23 H GLU 23 -1.134 3.373 -9.710 139 HA GLU 23 HA GLU 23 -1.098 2.752 -12.438 140 HB3 GLU 23 HB3 GLU 23 1.181 4.369 -11.886 141 HG3 GLU 23 HG3 GLU 23 -1.714 5.191 -12.235 142 H ILE 24 H ILE 24 1.399 2.127 -9.985 143 HA ILE 24 HA ILE 24 3.437 1.390 -11.766 144 HB ILE 24 HB ILE 24 2.868 0.853 -8.809 145 HG13 ILE 24 HG13 ILE 24 3.541 3.177 -9.817 146 HG21 ILE 24 HG21 ILE 24 4.263 -1.019 -9.505 147 HG22 ILE 24 HG22 ILE 24 5.462 0.099 -10.205 148 HG23 ILE 24 HG23 ILE 24 5.146 0.063 -8.450 149 HD11 ILE 24 HD11 ILE 24 5.010 2.025 -7.408 150 HD12 ILE 24 HD12 ILE 24 4.905 3.736 -7.816 151 HD13 ILE 24 HD13 ILE 24 3.448 2.864 -7.443 152 H TYR 25 H TYR 25 1.030 -0.477 -9.940 153 HA TYR 25 HA TYR 25 2.180 -3.056 -10.633 154 HB3 TYR 25 HB3 TYR 25 0.006 -3.929 -9.640 155 HD1 TYR 25 HD1 TYR 25 2.258 -4.731 -8.677 156 HD2 TYR 25 HD2 TYR 25 0.298 -1.105 -7.409 157 HE1 TYR 25 HE1 TYR 25 3.652 -4.691 -6.632 158 HE2 TYR 25 HE2 TYR 25 1.594 -1.170 -5.293 159 HH TYR 25 HH TYR 25 3.237 -3.651 -4.141 160 H VAL 26 H VAL 26 0.096 -0.947 -12.315 161 HA VAL 26 HA VAL 26 -1.338 -2.981 -13.844 162 HB VAL 26 HB VAL 26 -1.323 0.046 -13.522 163 HG11 VAL 26 HG11 VAL 26 -2.134 -0.359 -15.775 164 HG12 VAL 26 HG12 VAL 26 -3.391 -1.453 -15.141 165 HG13 VAL 26 HG13 VAL 26 -3.374 0.281 -14.717 166 HG21 VAL 26 HG21 VAL 26 -3.176 -0.178 -12.193 167 HG22 VAL 26 HG22 VAL 26 -3.611 -1.807 -12.803 168 HG23 VAL 26 HG23 VAL 26 -2.255 -1.583 -11.699 169 H ALA 27 H ALA 27 1.468 -0.909 -14.151 170 HA ALA 27 HA ALA 27 1.721 -1.245 -17.046 171 HB1 ALA 27 HB1 ALA 27 3.603 -0.224 -14.897 172 HB2 ALA 27 HB2 ALA 27 3.899 -0.132 -16.653 173 HB3 ALA 27 HB3 ALA 27 2.535 0.740 -15.928 174 H GLY 28 H GLY 28 2.216 -3.300 -14.357 175 HA2 GLY 28 HA2 GLY 28 3.285 -5.311 -14.119 176 HA3 GLY 28 HA3 GLY 28 3.775 -5.217 -15.825 177 H LEU 29 H LEU 29 4.591 -2.618 -13.533 178 HA LEU 29 HA LEU 29 7.449 -2.898 -13.896 179 HB3 LEU 29 HB3 LEU 29 7.328 -1.408 -11.684 180 HG LEU 29 HG LEU 29 6.551 -0.627 -14.504 181 HD11 LEU 29 HD11 LEU 29 5.120 0.799 -13.124 182 HD12 LEU 29 HD12 LEU 29 6.420 1.740 -13.839 183 HD13 LEU 29 HD13 LEU 29 6.511 1.290 -12.121 184 HD21 LEU 29 HD21 LEU 29 8.616 0.697 -14.333 185 HD22 LEU 29 HD22 LEU 29 8.948 -0.974 -13.861 186 HD23 LEU 29 HD23 LEU 29 8.795 0.283 -12.616 187 H VAL 30 H VAL 30 5.051 -4.282 -11.745 188 HA VAL 30 HA VAL 30 6.920 -6.114 -10.500 189 HB VAL 30 HB VAL 30 5.629 -5.422 -8.264 190 HG11 VAL 30 HG11 VAL 30 8.054 -5.526 -8.527 191 HG12 VAL 30 HG12 VAL 30 8.095 -3.844 -9.112 192 HG13 VAL 30 HG13 VAL 30 7.527 -4.234 -7.463 193 HG21 VAL 30 HG21 VAL 30 4.418 -3.526 -9.352 194 HG22 VAL 30 HG22 VAL 30 5.328 -3.054 -7.941 195 HG23 VAL 30 HG23 VAL 30 5.960 -2.673 -9.546 196 H ALA 31 H ALA 31 5.665 -7.705 -9.386 197 HA ALA 31 HA ALA 31 2.825 -8.104 -10.138 198 HB1 ALA 31 HB1 ALA 31 4.332 -10.101 -10.041 199 HB2 ALA 31 HB2 ALA 31 4.705 -9.723 -8.359 200 HB3 ALA 31 HB3 ALA 31 3.062 -10.200 -8.820 201 H HIS 32 H HIS 32 1.159 -7.930 -8.363 202 HA HIS 32 HA HIS 32 1.765 -6.140 -6.233 203 HB3 HIS 32 HB3 HIS 32 -0.553 -6.930 -6.979 204 HD1 HIS 32 HD1 HIS 32 -0.193 -9.609 -7.922 205 HD2 HIS 32 HD2 HIS 32 -1.285 -8.877 -3.961 206 HE1 HIS 32 HE1 HIS 32 -0.907 -11.867 -6.966 207 H SER 33 H SER 33 2.373 -9.610 -6.475 208 HA SER 33 HA SER 33 2.776 -10.021 -3.763 209 HB3 SER 33 HB3 SER 33 3.839 -11.605 -6.114 210 HG SER 33 HG SER 33 4.616 -12.267 -4.085 211 H ASP 34 H ASP 34 4.734 -8.029 -5.605 212 HA ASP 34 HA ASP 34 7.323 -9.124 -4.921 213 HB3 ASP 34 HB3 ASP 34 7.580 -6.398 -5.704 214 H LEU 35 H LEU 35 5.130 -7.438 -2.940 215 HA LEU 35 HA LEU 35 7.310 -6.250 -1.294 216 HB3 LEU 35 HB3 LEU 35 5.447 -5.408 0.154 217 HG LEU 35 HG LEU 35 5.136 -4.179 -2.590 218 HD11 LEU 35 HD11 LEU 35 5.144 -3.076 0.268 219 HD12 LEU 35 HD12 LEU 35 3.719 -3.341 -0.760 220 HD13 LEU 35 HD13 LEU 35 4.910 -2.113 -1.201 221 HD21 LEU 35 HD21 LEU 35 7.049 -2.713 -2.123 222 HD22 LEU 35 HD22 LEU 35 7.557 -4.374 -2.337 223 HD23 LEU 35 HD23 LEU 35 7.454 -3.678 -0.683 224 H ASP 36 H ASP 36 7.761 -6.934 0.682 225 HA ASP 36 HA ASP 36 6.586 -9.432 1.752 226 HB3 ASP 36 HB3 ASP 36 8.641 -9.342 3.222 227 H GLU 37 H GLU 37 6.372 -9.347 4.194 228 HA GLU 37 HA GLU 37 4.513 -7.321 4.775 229 HB3 GLU 37 HB3 GLU 37 5.842 -9.198 6.764 230 HG3 GLU 37 HG3 GLU 37 4.017 -7.591 7.602 231 H ARG 38 H ARG 38 7.971 -7.533 5.464 232 HA ARG 38 HA ARG 38 7.813 -5.594 7.629 233 HB3 ARG 38 HB3 ARG 38 10.253 -5.516 7.577 234 HG3 ARG 38 HG3 ARG 38 9.624 -8.401 6.933 235 HD3 ARG 38 HD3 ARG 38 11.168 -7.180 9.251 236 HE ARG 38 HE ARG 38 10.554 -9.863 8.409 237 HH11 ARG 38 HH11 ARG 38 12.898 -7.933 10.236 238 HH12 ARG 38 HH12 ARG 38 13.800 -9.248 10.810 239 HH21 ARG 38 HH21 ARG 38 11.783 -11.687 9.102 240 HH22 ARG 38 HH22 ARG 38 13.247 -11.507 9.960 241 H ALA 39 H ALA 39 7.984 -5.309 4.135 242 HA ALA 39 HA ALA 39 8.696 -2.474 4.185 243 HB1 ALA 39 HB1 ALA 39 7.901 -2.466 1.851 244 HB2 ALA 39 HB2 ALA 39 9.043 -3.784 2.114 245 HB3 ALA 39 HB3 ALA 39 7.293 -4.123 2.027 246 H ILE 40 H ILE 40 5.736 -4.489 4.150 247 HA ILE 40 HA ILE 40 3.801 -2.471 3.932 248 HB ILE 40 HB ILE 40 3.590 -5.154 5.312 249 HG13 ILE 40 HG13 ILE 40 2.593 -5.951 3.270 250 HG21 ILE 40 HG21 ILE 40 1.788 -3.862 6.132 251 HG22 ILE 40 HG22 ILE 40 1.412 -3.205 4.525 252 HG23 ILE 40 HG23 ILE 40 1.137 -4.928 4.887 253 HD11 ILE 40 HD11 ILE 40 3.314 -3.304 1.946 254 HD12 ILE 40 HD12 ILE 40 2.715 -4.766 1.146 255 HD13 ILE 40 HD13 ILE 40 1.663 -3.893 2.269 256 H GLU 41 H GLU 41 5.195 -3.897 6.960 257 HA GLU 41 HA GLU 41 3.594 -2.319 8.628 258 HB3 GLU 41 HB3 GLU 41 5.175 -4.366 9.125 259 HG3 GLU 41 HG3 GLU 41 7.340 -3.093 8.829 260 H ALA 42 H ALA 42 6.611 -1.460 7.170 261 HA ALA 42 HA ALA 42 6.837 1.088 8.625 262 HB1 ALA 42 HB1 ALA 42 8.809 0.000 7.614 263 HB2 ALA 42 HB2 ALA 42 8.108 0.196 5.993 264 HB3 ALA 42 HB3 ALA 42 8.558 1.626 6.954 265 H LEU 43 H LEU 43 5.634 0.012 5.470 266 HA LEU 43 HA LEU 43 4.649 2.545 4.529 267 HB3 LEU 43 HB3 LEU 43 3.577 1.049 2.764 268 HG LEU 43 HG LEU 43 6.516 0.878 3.357 269 HD11 LEU 43 HD11 LEU 43 5.759 -1.122 2.038 270 HD12 LEU 43 HD12 LEU 43 6.919 -0.065 1.226 271 HD13 LEU 43 HD13 LEU 43 5.186 -0.012 0.782 272 HD21 LEU 43 HD21 LEU 43 6.686 2.454 1.456 273 HD22 LEU 43 HD22 LEU 43 5.652 3.120 2.722 274 HD23 LEU 43 HD23 LEU 43 4.924 2.416 1.265 275 H LYS 44 H LYS 44 3.630 1.893 7.150 276 HA LYS 44 HA LYS 44 0.742 2.271 6.538 277 HB3 LYS 44 HB3 LYS 44 1.979 0.583 8.700 278 HG3 LYS 44 HG3 LYS 44 -0.746 1.881 8.633 279 HD3 LYS 44 HD3 LYS 44 -0.292 -0.967 9.077 280 HE3 LYS 44 HE3 LYS 44 -2.064 -0.485 11.174 281 HZ1 LYS 44 HZ1 LYS 44 -0.168 -1.298 12.562 282 HZ2 LYS 44 HZ2 LYS 44 0.816 -1.144 11.288 283 HZ3 LYS 44 HZ3 LYS 44 -0.447 -2.200 11.215 284 H GLU 45 H GLU 45 3.644 3.191 8.338 285 HA GLU 45 HA GLU 45 2.019 5.051 9.966 286 HB3 GLU 45 HB3 GLU 45 3.696 4.749 11.651 287 HG3 GLU 45 HG3 GLU 45 3.211 2.016 10.362 288 H PHE 46 H PHE 46 2.086 6.268 7.678 289 HA PHE 46 HA PHE 46 4.368 8.151 7.812 290 HB3 PHE 46 HB3 PHE 46 4.729 6.790 5.914 291 HD1 PHE 46 HD1 PHE 46 1.499 8.500 4.896 292 HD2 PHE 46 HD2 PHE 46 3.727 4.810 5.126 293 HE1 PHE 46 HE1 PHE 46 -0.231 7.400 3.589 294 HE2 PHE 46 HE2 PHE 46 1.955 3.706 3.776 295 HZ PHE 46 HZ PHE 46 0.033 5.017 2.923 296 H ASN 47 H ASN 47 3.999 10.187 6.997 297 HA ASN 47 HA ASN 47 1.398 11.501 7.212 298 HB3 ASN 47 HB3 ASN 47 3.258 12.800 7.969 299 HD21 ASN 47 HD21 ASN 47 4.629 14.040 5.202 300 HD22 ASN 47 HD22 ASN 47 6.134 13.119 5.241 301 H GLU 48 H GLU 48 0.766 12.945 5.482 302 HA GLU 48 HA GLU 48 0.011 11.849 3.133 303 HB3 GLU 48 HB3 GLU 48 0.497 14.747 3.868 304 HG3 GLU 48 HG3 GLU 48 -0.824 13.453 1.456 305 H ASP 49 H ASP 49 2.901 14.063 3.476 306 HA ASP 49 HA ASP 49 3.468 13.350 0.617 307 HB3 ASP 49 HB3 ASP 49 4.976 15.403 2.131 308 H GLY 50 H GLY 50 3.972 11.923 3.191 309 HA2 GLY 50 HA2 GLY 50 6.774 11.131 3.186 310 HA3 GLY 50 HA3 GLY 50 5.454 10.329 4.036 311 H ALA 51 H ALA 51 3.883 9.091 2.694 312 HA ALA 51 HA ALA 51 5.177 7.076 1.331 313 HB1 ALA 51 HB1 ALA 51 2.253 7.858 1.143 314 HB2 ALA 51 HB2 ALA 51 2.948 6.326 0.606 315 HB3 ALA 51 HB3 ALA 51 3.004 6.767 2.326 316 H LEU 52 H LEU 52 3.375 9.784 -0.082 317 HA LEU 52 HA LEU 52 3.446 9.037 -2.783 318 HB3 LEU 52 HB3 LEU 52 3.173 11.694 -3.018 319 HG LEU 52 HG LEU 52 1.248 9.839 -1.592 320 HD11 LEU 52 HD11 LEU 52 0.769 12.161 -0.856 321 HD12 LEU 52 HD12 LEU 52 -0.530 11.489 -1.878 322 HD13 LEU 52 HD13 LEU 52 0.638 12.656 -2.554 323 HD21 LEU 52 HD21 LEU 52 0.038 9.823 -3.707 324 HD22 LEU 52 HD22 LEU 52 1.718 9.443 -4.064 325 HD23 LEU 52 HD23 LEU 52 1.085 11.062 -4.394 326 H ALA 53 H ALA 53 6.064 10.493 -0.902 327 HA ALA 53 HA ALA 53 7.524 11.492 -3.221 328 HB1 ALA 53 HB1 ALA 53 7.741 12.429 -0.923 329 HB2 ALA 53 HB2 ALA 53 8.377 10.881 -0.340 330 HB3 ALA 53 HB3 ALA 53 9.298 11.821 -1.526 331 H VAL 54 H VAL 54 7.428 8.658 -1.173 332 HA VAL 54 HA VAL 54 9.838 7.436 -2.186 333 HB VAL 54 HB VAL 54 7.511 6.187 -0.632 334 HG11 VAL 54 HG11 VAL 54 9.209 4.615 -1.603 335 HG12 VAL 54 HG12 VAL 54 10.439 5.440 -0.608 336 HG13 VAL 54 HG13 VAL 54 9.086 4.567 0.162 337 HG21 VAL 54 HG21 VAL 54 8.268 8.086 0.675 338 HG22 VAL 54 HG22 VAL 54 9.032 6.662 1.388 339 HG23 VAL 54 HG23 VAL 54 9.953 7.721 0.303 340 H LEU 55 H LEU 55 6.320 6.967 -2.724 341 HA LEU 55 HA LEU 55 6.419 4.924 -4.663 342 HB3 LEU 55 HB3 LEU 55 4.395 6.085 -5.641 343 HG LEU 55 HG LEU 55 4.209 5.989 -2.606 344 HD11 LEU 55 HD11 LEU 55 2.148 5.671 -4.810 345 HD12 LEU 55 HD12 LEU 55 2.297 7.042 -3.696 346 HD13 LEU 55 HD13 LEU 55 1.852 5.451 -3.073 347 HD21 LEU 55 HD21 LEU 55 4.335 3.808 -4.664 348 HD22 LEU 55 HD22 LEU 55 3.370 3.590 -3.192 349 HD23 LEU 55 HD23 LEU 55 5.107 3.896 -3.076 350 H GLN 56 H GLN 56 7.052 8.408 -5.014 351 HA GLN 56 HA GLN 56 7.004 8.317 -7.867 352 HB3 GLN 56 HB3 GLN 56 8.189 10.351 -5.929 353 HG3 GLN 56 HG3 GLN 56 9.068 10.931 -8.064 354 HE21 GLN 56 HE21 GLN 56 8.953 9.285 -9.676 355 HE22 GLN 56 HE22 GLN 56 7.668 9.222 -10.822 356 H GLN 57 H GLN 57 9.723 8.624 -5.651 357 HA GLN 57 HA GLN 57 11.855 8.130 -7.432 358 HB3 GLN 57 HB3 GLN 57 13.041 7.012 -5.466 359 HG3 GLN 57 HG3 GLN 57 13.298 9.028 -4.205 360 HE21 GLN 57 HE21 GLN 57 14.797 8.178 -6.415 361 HE22 GLN 57 HE22 GLN 57 14.990 9.491 -7.530 362 H PHE 58 H PHE 58 9.824 5.604 -5.810 363 HA PHE 58 HA PHE 58 11.320 3.393 -6.813 364 HB3 PHE 58 HB3 PHE 58 8.393 3.604 -6.021 365 HD1 PHE 58 HD1 PHE 58 7.623 1.848 -7.629 366 HD2 PHE 58 HD2 PHE 58 10.776 1.092 -4.781 367 HE1 PHE 58 HE1 PHE 58 7.389 -0.591 -8.005 368 HE2 PHE 58 HE2 PHE 58 10.499 -1.349 -5.127 369 HZ PHE 58 HZ PHE 58 8.823 -2.194 -6.772 370 H LYS 59 H LYS 59 8.586 5.213 -8.239 371 HA LYS 59 HA LYS 59 8.309 3.673 -10.641 372 HB3 LYS 59 HB3 LYS 59 7.348 5.856 -11.562 373 HG3 LYS 59 HG3 LYS 59 6.471 4.669 -8.937 374 HD3 LYS 59 HD3 LYS 59 5.517 7.176 -9.694 375 HE3 LYS 59 HE3 LYS 59 3.806 4.915 -10.808 376 HZ1 LYS 59 HZ1 LYS 59 2.971 7.679 -10.233 377 HZ2 LYS 59 HZ2 LYS 59 2.311 6.312 -9.562 378 HZ3 LYS 59 HZ3 LYS 59 2.126 6.627 -11.151 379 H ASP 60 H ASP 60 10.785 5.911 -9.668 380 HA ASP 60 HA ASP 60 11.808 6.062 -12.468 381 HB3 ASP 60 HB3 ASP 60 12.423 7.924 -10.154 382 H SER 61 H SER 61 12.193 3.677 -11.105 383 HA SER 61 HA SER 61 15.114 3.733 -10.538 384 HB3 SER 61 HB3 SER 61 14.731 1.891 -8.971 385 HG SER 61 HG SER 61 13.113 4.198 -8.478 386 H ASP 62 H ASP 62 16.226 1.860 -11.107 387 HA ASP 62 HA ASP 62 15.128 0.394 -13.435 388 HB3 ASP 62 HB3 ASP 62 17.921 0.084 -12.268 389 H LEU 63 H LEU 63 13.615 -1.007 -12.525 390 HA LEU 63 HA LEU 63 14.445 -2.490 -10.123 391 HB3 LEU 63 HB3 LEU 63 12.245 -3.220 -9.847 392 HG LEU 63 HG LEU 63 12.343 -0.229 -10.402 393 HD11 LEU 63 HD11 LEU 63 10.032 -1.023 -10.585 394 HD12 LEU 63 HD12 LEU 63 10.275 -0.068 -9.119 395 HD13 LEU 63 HD13 LEU 63 10.175 -1.856 -9.023 396 HD21 LEU 63 HD21 LEU 63 13.806 -0.984 -8.562 397 HD22 LEU 63 HD22 LEU 63 12.456 -1.881 -7.828 398 HD23 LEU 63 HD23 LEU 63 12.420 -0.104 -7.921 399 H SER 64 H SER 64 15.254 -2.930 -13.180 400 HA SER 64 HA SER 64 14.340 -5.570 -13.816 401 HB3 SER 64 HB3 SER 64 15.925 -5.519 -15.543 402 HG SER 64 HG SER 64 15.823 -2.751 -15.137 403 H HIS 65 H HIS 65 17.427 -4.346 -12.422 404 HA HIS 65 HA HIS 65 18.374 -7.040 -11.974 405 HB3 HIS 65 HB3 HIS 65 19.815 -5.409 -12.942 406 HD1 HIS 65 HD1 HIS 65 19.635 -3.894 -9.279 407 HD2 HIS 65 HD2 HIS 65 20.142 -2.899 -13.359 408 HE1 HIS 65 HE1 HIS 65 19.948 -1.401 -9.393 409 H VAL 66 H VAL 66 16.118 -6.012 -10.200 410 HA VAL 66 HA VAL 66 17.424 -6.509 -7.569 411 HB VAL 66 HB VAL 66 16.599 -4.293 -7.490 412 HG11 VAL 66 HG11 VAL 66 15.167 -4.211 -9.314 413 HG12 VAL 66 HG12 VAL 66 13.945 -5.220 -8.522 414 HG13 VAL 66 HG13 VAL 66 14.332 -3.604 -7.878 415 HG21 VAL 66 HG21 VAL 66 16.144 -5.882 -5.535 416 HG22 VAL 66 HG22 VAL 66 15.113 -4.459 -5.602 417 HG23 VAL 66 HG23 VAL 66 14.482 -6.017 -6.152 418 H GLN 67 H GLN 67 17.059 -8.462 -6.861 419 HA GLN 67 HA GLN 67 15.117 -10.217 -8.001 420 HB3 GLN 67 HB3 GLN 67 16.250 -10.845 -5.296 421 HG3 GLN 67 HG3 GLN 67 17.114 -12.837 -6.625 422 HE21 GLN 67 HE21 GLN 67 14.017 -12.750 -8.232 423 HE22 GLN 67 HE22 GLN 67 13.146 -13.496 -6.900 424 H ASN 68 H ASN 68 15.242 -8.316 -4.943 425 HA ASN 68 HA ASN 68 12.363 -8.992 -4.514 426 HB3 ASN 68 HB3 ASN 68 14.453 -8.337 -2.403 427 HD21 ASN 68 HD21 ASN 68 13.509 -8.640 -0.162 428 HD22 ASN 68 HD22 ASN 68 11.742 -8.693 -0.006 429 H LYS 69 H LYS 69 11.210 -7.195 -5.294 430 HA LYS 69 HA LYS 69 12.404 -4.562 -5.162 431 HB3 LYS 69 HB3 LYS 69 10.004 -3.790 -5.702 432 HG3 LYS 69 HG3 LYS 69 11.850 -4.055 -7.407 433 HD3 LYS 69 HD3 LYS 69 10.441 -6.701 -7.763 434 HE3 LYS 69 HE3 LYS 69 12.075 -5.220 -9.788 435 HZ1 LYS 69 HZ1 LYS 69 13.073 -7.363 -9.620 436 HZ2 LYS 69 HZ2 LYS 69 12.115 -7.379 -10.951 437 HZ3 LYS 69 HZ3 LYS 69 11.635 -8.121 -9.551 438 H SER 70 H SER 70 10.602 -6.337 -2.665 439 HA SER 70 HA SER 70 9.712 -3.974 -1.306 440 HB3 SER 70 HB3 SER 70 8.823 -5.444 0.090 441 HG SER 70 HG SER 70 9.113 -7.100 -1.633 442 H ALA 71 H ALA 71 12.826 -5.779 -1.236 443 HA ALA 71 HA ALA 71 14.046 -4.225 0.792 444 HB1 ALA 71 HB1 ALA 71 16.173 -5.024 -0.173 445 HB2 ALA 71 HB2 ALA 71 14.979 -6.331 -0.083 446 HB3 ALA 71 HB3 ALA 71 15.330 -5.555 -1.643 447 H PHE 72 H PHE 72 13.649 -3.640 -2.693 448 HA PHE 72 HA PHE 72 15.287 -1.327 -2.870 449 HB3 PHE 72 HB3 PHE 72 12.801 -1.610 -4.563 450 HD1 PHE 72 HD1 PHE 72 13.528 0.961 -4.683 451 HD2 PHE 72 HD2 PHE 72 15.873 -2.334 -6.219 452 HE1 PHE 72 HE1 PHE 72 14.880 2.531 -6.032 453 HE2 PHE 72 HE2 PHE 72 17.158 -0.753 -7.622 454 HZ PHE 72 HZ PHE 72 16.705 1.681 -7.487 455 H LEU 73 H LEU 73 11.735 -1.690 -2.238 456 HA LEU 73 HA LEU 73 11.297 1.131 -2.134 457 HB3 LEU 73 HB3 LEU 73 9.627 -1.143 -0.991 458 HG LEU 73 HG LEU 73 8.782 1.086 -0.298 459 HD11 LEU 73 HD11 LEU 73 7.903 2.666 -1.986 460 HD12 LEU 73 HD12 LEU 73 8.562 1.675 -3.287 461 HD13 LEU 73 HD13 LEU 73 9.658 2.501 -2.159 462 HD21 LEU 73 HD21 LEU 73 6.505 0.806 -1.204 463 HD22 LEU 73 HD22 LEU 73 7.220 -0.780 -0.863 464 HD23 LEU 73 HD23 LEU 73 7.130 -0.190 -2.524 465 H CYS 74 H CYS 74 11.903 -1.352 0.348 466 HA CYS 74 HA CYS 74 11.680 0.374 2.603 467 HB3 CYS 74 HB3 CYS 74 13.423 -2.099 2.468 468 HG CYS 74 HG CYS 74 13.473 -0.310 4.521 469 H GLY 75 H GLY 75 14.221 -0.106 0.240 470 HA2 GLY 75 HA2 GLY 75 16.409 1.065 1.615 471 HA3 GLY 75 HA3 GLY 75 16.184 0.984 -0.140 472 H VAL 76 H VAL 76 14.347 2.492 -0.955 473 HA VAL 76 HA VAL 76 15.283 5.091 -0.578 474 HB VAL 76 HB VAL 76 14.390 4.467 -2.658 475 HG11 VAL 76 HG11 VAL 76 11.919 4.153 -3.035 476 HG12 VAL 76 HG12 VAL 76 12.795 2.821 -2.279 477 HG13 VAL 76 HG13 VAL 76 11.781 3.871 -1.284 478 HG21 VAL 76 HG21 VAL 76 13.036 6.324 -3.205 479 HG22 VAL 76 HG22 VAL 76 12.465 6.534 -1.540 480 HG23 VAL 76 HG23 VAL 76 14.164 6.855 -1.962 481 H MET 77 H MET 77 12.388 3.603 1.028 482 HA MET 77 HA MET 77 11.391 6.015 2.047 483 HB3 MET 77 HB3 MET 77 10.144 3.933 2.264 484 HG3 MET 77 HG3 MET 77 12.135 3.366 4.489 485 HE1 MET 77 HE1 MET 77 8.623 0.555 3.477 486 HE2 MET 77 HE2 MET 77 8.381 2.301 3.265 487 HE3 MET 77 HE3 MET 77 9.589 1.432 2.273 488 H LYS 78 H LYS 78 14.341 4.349 3.038 489 HA LYS 78 HA LYS 78 14.339 5.735 5.652 490 HB3 LYS 78 HB3 LYS 78 16.377 3.796 4.545 491 HG3 LYS 78 HG3 LYS 78 15.528 4.688 7.318 492 HD3 LYS 78 HD3 LYS 78 15.141 2.347 7.530 493 HE3 LYS 78 HE3 LYS 78 17.790 1.930 6.072 494 HZ1 LYS 78 HZ1 LYS 78 17.475 0.244 7.751 495 HZ2 LYS 78 HZ2 LYS 78 17.171 -0.403 6.247 496 HZ3 LYS 78 HZ3 LYS 78 15.948 -0.051 7.288 497 H THR 79 H THR 79 15.213 6.502 2.525 498 HA THR 79 HA THR 79 17.439 8.363 3.237 499 HB THR 79 HB THR 79 16.060 7.593 0.599 500 HG1 THR 79 HG1 THR 79 18.543 6.660 1.580 501 HG21 THR 79 HG21 THR 79 17.990 8.541 -0.509 502 HG22 THR 79 HG22 THR 79 18.669 9.067 1.037 503 HG23 THR 79 HG23 THR 79 17.146 9.781 0.436 504 H TYR 80 H TYR 80 14.444 8.528 1.245 505 HA TYR 80 HA TYR 80 14.645 11.027 0.639 506 HB3 TYR 80 HB3 TYR 80 12.869 9.353 -0.086 507 HD1 TYR 80 HD1 TYR 80 12.273 7.977 2.080 508 HD2 TYR 80 HD2 TYR 80 10.518 11.798 1.162 509 HE1 TYR 80 HE1 TYR 80 10.347 7.442 3.570 510 HE2 TYR 80 HE2 TYR 80 8.687 11.335 2.670 511 HH TYR 80 HH TYR 80 8.178 8.057 4.139 512 H ARG 81 H ARG 81 12.977 10.127 3.628 513 HA ARG 81 HA ARG 81 11.926 12.397 4.664 514 HB3 ARG 81 HB3 ARG 81 12.353 11.509 6.859 515 HG3 ARG 81 HG3 ARG 81 12.312 9.118 4.946 516 HD3 ARG 81 HD3 ARG 81 11.749 9.292 7.900 517 HE ARG 81 HE ARG 81 11.408 7.069 5.992 518 HH11 ARG 81 HH11 ARG 81 12.275 7.879 9.345 519 HH12 ARG 81 HH12 ARG 81 11.395 6.599 10.084 520 HH21 ARG 81 HH21 ARG 81 10.185 5.277 6.986 521 HH22 ARG 81 HH22 ARG 81 10.204 5.124 8.709 522 H GLN 82 H GLN 82 15.381 11.767 4.325 523 HA GLN 82 HA GLN 82 16.516 13.673 5.971 524 HB3 GLN 82 HB3 GLN 82 17.598 11.823 4.697 525 HG3 GLN 82 HG3 GLN 82 17.974 13.800 2.446 526 HE21 GLN 82 HE21 GLN 82 19.385 12.878 0.756 527 HE22 GLN 82 HE22 GLN 82 20.103 11.297 0.973 528 H ARG 83 H ARG 83 14.764 14.285 2.950 529 HA ARG 83 HA ARG 83 15.735 17.061 2.808 530 HB3 ARG 83 HB3 ARG 83 15.408 15.812 0.764 531 HG3 ARG 83 HG3 ARG 83 12.480 16.150 0.594 532 HD3 ARG 83 HD3 ARG 83 12.690 13.685 -0.121 533 HE ARG 83 HE ARG 83 13.271 15.961 -1.592 534 HH11 ARG 83 HH11 ARG 83 14.665 12.755 -1.745 535 HH12 ARG 83 HH12 ARG 83 14.384 12.499 -3.437 536 HH21 ARG 83 HH21 ARG 83 13.095 15.747 -3.964 537 HH22 ARG 83 HH22 ARG 83 13.398 14.232 -4.702 538 H GLU 84 H GLU 84 12.901 15.466 4.302 539 HA GLU 84 HA GLU 84 11.775 18.188 4.776 540 HB3 GLU 84 HB3 GLU 84 10.134 16.518 4.063 541 HG3 GLU 84 HG3 GLU 84 11.209 14.905 6.306 542 H LYS 85 H LYS 85 13.687 15.747 6.263 543 HA LYS 85 HA LYS 85 14.796 15.613 8.206 544 HB3 LYS 85 HB3 LYS 85 13.836 18.341 9.104 545 HG3 LYS 85 HG3 LYS 85 16.613 18.250 9.263 546 HD3 LYS 85 HD3 LYS 85 14.960 17.483 11.672 547 HE3 LYS 85 HE3 LYS 85 16.359 19.247 12.725 548 HZ1 LYS 85 HZ1 LYS 85 18.245 18.091 12.963 549 HZ2 LYS 85 HZ2 LYS 85 18.239 17.371 11.492 550 HZ3 LYS 85 HZ3 LYS 85 17.154 16.904 12.677 551 H GLN 86 H GLN 86 14.075 16.157 10.797 552 HA GLN 86 HA GLN 86 11.826 14.369 11.270 553 HB3 GLN 86 HB3 GLN 86 13.677 16.033 13.021 554 HG3 GLN 86 HG3 GLN 86 12.189 13.547 13.933 555 HE21 GLN 86 HE21 GLN 86 13.637 16.720 15.073 556 HE22 GLN 86 HE22 GLN 86 14.380 16.030 16.485 557 H GLY 87 H GLY 87 10.375 15.860 9.975 558 HA2 GLY 87 HA2 GLY 87 9.264 18.098 11.636 559 HA3 GLY 87 HA3 GLY 87 9.484 18.124 9.883 560 H THR 88 H THR 88 8.202 15.100 11.489 561 HA THR 88 HA THR 88 5.489 15.875 10.814 562 HB THR 88 HB THR 88 6.881 15.120 8.734 563 HG1 THR 88 HG1 THR 88 5.167 14.524 7.872 564 HG21 THR 88 HG21 THR 88 6.309 12.368 9.882 565 HG22 THR 88 HG22 THR 88 7.922 13.112 9.807 566 HG23 THR 88 HG23 THR 88 7.041 12.752 8.326 567 H LYS 89 H LYS 89 4.109 13.986 11.331 568 HA LYS 89 HA LYS 89 4.662 12.912 13.975 569 HB3 LYS 89 HB3 LYS 89 2.452 12.104 12.038 570 HG3 LYS 89 HG3 LYS 89 2.608 11.980 15.082 571 HD3 LYS 89 HD3 LYS 89 0.342 12.486 14.092 572 HE3 LYS 89 HE3 LYS 89 0.568 10.958 12.057 573 HZ1 LYS 89 HZ1 LYS 89 -0.159 8.702 12.401 574 HZ2 LYS 89 HZ2 LYS 89 -0.206 8.846 14.015 575 HZ3 LYS 89 HZ3 LYS 89 1.237 8.891 13.179 576 H VAL 90 H VAL 90 6.018 11.219 14.333 577 HA VAL 90 HA VAL 90 5.928 8.869 12.497 578 HB VAL 90 HB VAL 90 8.422 8.678 13.059 579 HG11 VAL 90 HG11 VAL 90 9.023 10.079 11.122 580 HG12 VAL 90 HG12 VAL 90 7.511 9.225 10.831 581 HG13 VAL 90 HG13 VAL 90 7.495 10.946 11.257 582 HG21 VAL 90 HG21 VAL 90 8.164 11.681 13.584 583 HG22 VAL 90 HG22 VAL 90 8.602 10.461 14.791 584 HG23 VAL 90 HG23 VAL 90 9.663 10.795 13.423 585 H ALA 91 H ALA 91 4.269 8.159 13.964 586 HA ALA 91 HA ALA 91 5.172 7.625 16.768 587 HB1 ALA 91 HB1 ALA 91 2.864 8.079 17.432 588 HB2 ALA 91 HB2 ALA 91 3.539 9.486 16.593 589 HB3 ALA 91 HB3 ALA 91 2.406 8.413 15.747 590 H ASP 92 H ASP 92 5.904 5.486 16.097 591 HA ASP 92 HA ASP 92 3.813 3.646 15.097 592 HB3 ASP 92 HB3 ASP 92 6.280 3.580 14.289 593 H SER 93 H SER 93 3.035 1.985 16.205 594 HA SER 93 HA SER 93 4.089 0.385 18.013 595 HB3 SER 93 HB3 SER 93 2.696 0.713 20.107 596 HG SER 93 HG SER 93 4.612 2.652 19.371 597 H SER 94 H SER 94 2.858 -1.457 17.662 598 HA SER 94 HA SER 94 0.378 -1.919 18.340 599 HB3 SER 94 HB3 SER 94 -0.727 -2.352 15.931 600 HG SER 94 HG SER 94 -1.380 0.100 16.413 601 H LYS 95 H LYS 95 1.026 -3.861 18.962 602 HA LYS 95 HA LYS 95 1.279 -6.015 17.057 603 HB3 LYS 95 HB3 LYS 95 3.431 -6.673 18.693 604 HG3 LYS 95 HG3 LYS 95 3.214 -5.691 15.885 605 HD3 LYS 95 HD3 LYS 95 5.706 -6.341 15.690 606 HE3 LYS 95 HE3 LYS 95 4.446 -4.048 15.274 607 HZ1 LYS 95 HZ1 LYS 95 5.494 -2.282 16.465 608 HZ2 LYS 95 HZ2 LYS 95 6.410 -3.313 17.348 609 HZ3 LYS 95 HZ3 LYS 95 4.774 -3.226 17.595 610 H GLY 96 H GLY 96 -0.394 -7.093 17.896 611 HA2 GLY 96 HA2 GLY 96 -0.326 -8.357 20.440 612 HA3 GLY 96 HA3 GLY 96 -1.376 -6.949 20.510 613 HA PRO 97 HA PRO 97 -4.478 -9.615 18.731 614 HB3 PRO 97 HB3 PRO 97 -5.929 -7.963 19.584 615 HG3 PRO 97 HG3 PRO 97 -5.556 -5.628 19.119 616 HD3 PRO 97 HD3 PRO 97 -3.637 -6.388 20.252 617 H ASP 98 H ASP 98 -5.192 -10.512 16.697 618 HA ASP 98 HA ASP 98 -5.066 -8.913 14.294 619 HB3 ASP 98 HB3 ASP 98 -3.392 -11.425 14.264 620 H GLU 99 H GLU 99 -7.018 -10.054 15.746 621 HA GLU 99 HA GLU 99 -7.815 -12.694 15.288 622 HB3 GLU 99 HB3 GLU 99 -8.825 -11.444 17.044 623 HG3 GLU 99 HG3 GLU 99 -9.890 -9.550 14.915 624 H ALA 100 H ALA 100 -9.271 -13.737 13.894 625 HA ALA 100 HA ALA 100 -10.085 -12.496 11.366 626 HB1 ALA 100 HB1 ALA 100 -7.722 -12.779 10.941 627 HB2 ALA 100 HB2 ALA 100 -7.714 -14.385 11.708 628 HB3 ALA 100 HB3 ALA 100 -8.554 -14.156 10.173 629 H LYS 101 H LYS 101 -12.194 -13.483 11.447 630 HA LYS 101 HA LYS 101 -12.263 -16.425 11.819 631 HB3 LYS 101 HB3 LYS 101 -12.763 -15.281 13.884 632 HG3 LYS 101 HG3 LYS 101 -15.474 -14.596 12.878 633 HD3 LYS 101 HD3 LYS 101 -14.593 -14.298 15.296 634 HE3 LYS 101 HE3 LYS 101 -12.506 -13.048 14.662 635 HZ1 LYS 101 HZ1 LYS 101 -12.866 -10.632 14.286 636 HZ2 LYS 101 HZ2 LYS 101 -14.429 -10.921 13.919 637 HZ3 LYS 101 HZ3 LYS 101 -13.230 -11.564 12.983 638 H ILE 102 H ILE 102 -12.936 -17.382 9.968 639 HA ILE 102 HA ILE 102 -14.548 -16.308 7.946 640 HB ILE 102 HB ILE 102 -14.435 -19.162 9.010 641 HG13 ILE 102 HG13 ILE 102 -12.622 -17.541 7.325 642 HG21 ILE 102 HG21 ILE 102 -15.258 -19.906 6.800 643 HG22 ILE 102 HG22 ILE 102 -16.468 -18.969 7.670 644 HG23 ILE 102 HG23 ILE 102 -15.555 -18.214 6.353 645 HD11 ILE 102 HD11 ILE 102 -11.896 -18.926 9.275 646 HD12 ILE 102 HD12 ILE 102 -12.405 -20.383 8.393 647 HD13 ILE 102 HD13 ILE 102 -11.072 -19.388 7.771 648 H LYS 103 H LYS 103 -15.541 -17.642 11.093 649 HA LYS 103 HA LYS 103 -18.329 -17.723 10.635 650 HB3 LYS 103 HB3 LYS 103 -18.445 -17.458 13.162 651 HG3 LYS 103 HG3 LYS 103 -16.357 -19.496 12.996 652 HD3 LYS 103 HD3 LYS 103 -19.395 -19.623 13.225 653 HE3 LYS 103 HE3 LYS 103 -18.841 -22.060 13.914 654 HZ1 LYS 103 HZ1 LYS 103 -18.681 -21.268 11.057 655 HZ2 LYS 103 HZ2 LYS 103 -20.014 -21.627 11.882 656 HZ3 LYS 103 HZ3 LYS 103 -18.957 -22.812 11.603 657 H ALA 104 H ALA 104 -16.423 -14.897 10.765 658 HA ALA 104 HA ALA 104 -18.816 -13.169 11.171 659 HB1 ALA 104 HB1 ALA 104 -15.866 -12.445 10.913 660 HB2 ALA 104 HB2 ALA 104 -17.212 -11.306 11.082 661 HB3 ALA 104 HB3 ALA 104 -16.837 -12.413 12.401 662 H LEU 105 H LEU 105 -19.965 -13.543 9.325 663 HA LEU 105 HA LEU 105 -18.875 -12.563 6.823 664 HB3 LEU 105 HB3 LEU 105 -18.412 -14.984 6.733 665 HG LEU 105 HG LEU 105 -20.655 -15.692 7.951 666 HD11 LEU 105 HD11 LEU 105 -21.534 -15.330 5.048 667 HD12 LEU 105 HD12 LEU 105 -22.309 -14.686 6.510 668 HD13 LEU 105 HD13 LEU 105 -22.368 -16.409 6.187 669 HD21 LEU 105 HD21 LEU 105 -18.977 -17.272 7.149 670 HD22 LEU 105 HD22 LEU 105 -19.568 -17.114 5.487 671 HD23 LEU 105 HD23 LEU 105 -20.588 -17.862 6.734 672 H LEU 106 H LEU 106 -20.822 -12.341 5.213 673 HA LEU 106 HA LEU 106 -23.372 -12.056 6.584 674 HB3 LEU 106 HB3 LEU 106 -22.617 -9.665 4.978 675 HG LEU 106 HG LEU 106 -24.769 -10.010 6.366 676 HD11 LEU 106 HD11 LEU 106 -22.841 -9.370 8.657 677 HD12 LEU 106 HD12 LEU 106 -23.663 -10.910 8.439 678 HD13 LEU 106 HD13 LEU 106 -24.616 -9.458 8.774 679 HD21 LEU 106 HD21 LEU 106 -24.779 -7.653 7.133 680 HD22 LEU 106 HD22 LEU 106 -24.129 -7.820 5.498 681 HD23 LEU 106 HD23 LEU 106 -23.018 -7.560 6.855 682 H GLU 107 H GLU 107 -25.081 -11.433 4.904 683 HA GLU 107 HA GLU 107 -24.822 -13.335 2.746 684 HB3 GLU 107 HB3 GLU 107 -27.173 -11.671 2.450 685 HG3 GLU 107 HG3 GLU 107 -28.326 -13.670 3.496 686 H ARG 108 H ARG 108 -25.041 -12.934 0.566 687 HA ARG 108 HA ARG 108 -25.237 -10.408 -0.633 688 HB3 ARG 108 HB3 ARG 108 -22.529 -11.786 -1.016 689 HG3 ARG 108 HG3 ARG 108 -23.556 -10.780 -3.138 690 HD3 ARG 108 HD3 ARG 108 -22.996 -8.166 -1.619 691 HE ARG 108 HE ARG 108 -24.559 -7.957 -4.003 692 HH11 ARG 108 HH11 ARG 108 -21.187 -8.346 -3.013 693 HH12 ARG 108 HH12 ARG 108 -20.521 -8.008 -4.558 694 HH21 ARG 108 HH21 ARG 108 -23.698 -7.420 -6.054 695 HH22 ARG 108 HH22 ARG 108 -22.022 -7.320 -6.342 696 H THR 109 H THR 109 -27.117 -11.929 -1.248 697 HA THR 109 HA THR 109 -26.663 -12.874 -3.822 698 HB THR 109 HB THR 109 -27.863 -15.200 -2.695 699 HG1 THR 109 HG1 THR 109 -26.678 -14.671 -0.685 700 HG21 THR 109 HG21 THR 109 -25.765 -16.232 -3.686 701 HG22 THR 109 HG22 THR 109 -25.122 -14.578 -3.908 702 HG23 THR 109 HG23 THR 109 -26.585 -15.086 -4.766 703 H GLY 110 H GLY 110 -28.532 -13.046 -4.848 704 HA2 GLY 110 HA2 GLY 110 -31.020 -13.424 -4.743 705 HA3 GLY 110 HA3 GLY 110 -31.058 -12.226 -3.446 706 H TYR 111 H TYR 111 -31.252 -12.684 -6.859 707 HA TYR 111 HA TYR 111 -31.589 -9.811 -7.220 708 HB3 TYR 111 HB3 TYR 111 -29.413 -10.149 -8.149 709 HD1 TYR 111 HD1 TYR 111 -28.369 -12.366 -7.702 710 HD2 TYR 111 HD2 TYR 111 -30.939 -11.724 -11.104 711 HE1 TYR 111 HE1 TYR 111 -27.439 -14.379 -8.772 712 HE2 TYR 111 HE2 TYR 111 -29.991 -13.725 -12.199 713 HH TYR 111 HH TYR 111 -27.426 -15.689 -10.621 714 H THR 112 H THR 112 -33.450 -9.456 -8.314 715 HA THR 112 HA THR 112 -34.751 -11.333 -10.052 716 HB THR 112 HB THR 112 -35.201 -12.453 -7.901 717 HG1 THR 112 HG1 THR 112 -37.331 -11.242 -9.231 718 HG21 THR 112 HG21 THR 112 -36.644 -11.471 -6.193 719 HG22 THR 112 HG22 THR 112 -36.636 -9.913 -7.047 720 HG23 THR 112 HG23 THR 112 -35.135 -10.554 -6.334 721 H LEU 113 H LEU 113 -33.933 -8.293 -9.563 722 HA LEU 113 HA LEU 113 -36.603 -6.996 -9.691 723 HB3 LEU 113 HB3 LEU 113 -35.251 -4.905 -9.433 724 HG LEU 113 HG LEU 113 -34.912 -6.922 -7.174 725 HD11 LEU 113 HD11 LEU 113 -33.238 -5.127 -7.004 726 HD12 LEU 113 HD12 LEU 113 -34.470 -4.959 -5.739 727 HD13 LEU 113 HD13 LEU 113 -34.505 -3.904 -7.176 728 HD21 LEU 113 HD21 LEU 113 -37.279 -6.427 -7.643 729 HD22 LEU 113 HD22 LEU 113 -36.943 -4.684 -7.621 730 HD23 LEU 113 HD23 LEU 113 -36.788 -5.648 -6.135 731 H ASP 114 H ASP 114 -37.278 -6.707 -11.681 732 HA ASP 114 HA ASP 114 -36.009 -7.283 -14.090 733 HB3 ASP 114 HB3 ASP 114 -38.463 -7.114 -13.697 734 H VAL 115 H VAL 115 -36.577 -4.086 -12.611 735 HA VAL 115 HA VAL 115 -35.201 -2.682 -14.631 736 HB VAL 115 HB VAL 115 -37.068 -1.931 -13.177 737 HG11 VAL 115 HG11 VAL 115 -36.222 -2.677 -10.973 738 HG12 VAL 115 HG12 VAL 115 -34.977 -1.400 -11.031 739 HG13 VAL 115 HG13 VAL 115 -36.701 -0.981 -10.982 740 HG21 VAL 115 HG21 VAL 115 -34.772 0.048 -13.150 741 HG22 VAL 115 HG22 VAL 115 -35.821 -0.310 -14.539 742 HG23 VAL 115 HG23 VAL 115 -36.514 0.395 -13.071 743 H THR 116 H THR 116 -33.667 -4.622 -12.357 744 HA THR 116 HA THR 116 -31.158 -3.092 -12.405 745 HB THR 116 HB THR 116 -31.203 -3.562 -9.719 746 HG1 THR 116 HG1 THR 116 -33.840 -3.228 -10.573 747 HG21 THR 116 HG21 THR 116 -30.638 -1.429 -10.812 748 HG22 THR 116 HG22 THR 116 -31.674 -1.218 -9.391 749 HG23 THR 116 HG23 THR 116 -32.366 -1.075 -11.021 750 H THR 117 H THR 117 -31.878 -5.575 -13.686 751 HA THR 117 HA THR 117 -29.713 -7.131 -12.479 752 HB THR 117 HB THR 117 -31.949 -8.042 -11.754 753 HG1 THR 117 HG1 THR 117 -29.822 -9.268 -12.204 754 HG21 THR 117 HG21 THR 117 -33.173 -7.765 -13.930 755 HG22 THR 117 HG22 THR 117 -33.256 -9.405 -13.262 756 HG23 THR 117 HG23 THR 117 -32.166 -9.054 -14.619 757 H GLY 118 H GLY 118 -29.032 -8.871 -14.159 758 HA2 GLY 118 HA2 GLY 118 -28.854 -8.925 -16.781 759 HA3 GLY 118 HA3 GLY 118 -28.262 -7.278 -16.489 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 -7.254 -15.450 -0.587 2 HA2 GLY 1 HA2 GLY 1 -6.674 -15.793 -2.954 3 HA3 GLY 1 HA3 GLY 1 -7.600 -14.327 -2.676 4 H SER 2 H SER 2 -4.047 -14.332 -1.805 5 HA SER 2 HA SER 2 -3.264 -13.060 -4.284 6 HB3 SER 2 HB3 SER 2 -3.826 -11.530 -1.714 7 HG SER 2 HG SER 2 -2.828 -9.901 -2.256 8 H GLU 3 H GLU 3 -1.120 -12.176 -4.073 9 HA GLU 3 HA GLU 3 0.463 -14.254 -2.687 10 HB3 GLU 3 HB3 GLU 3 1.384 -12.620 -5.083 11 HG3 GLU 3 HG3 GLU 3 1.525 -15.476 -4.108 12 H ASN 4 H ASN 4 0.240 -10.778 -3.422 13 HA ASN 4 HA ASN 4 2.560 -9.838 -2.095 14 HB3 ASN 4 HB3 ASN 4 -0.077 -8.716 -2.956 15 HD21 ASN 4 HD21 ASN 4 -1.287 -8.287 -0.907 16 HD22 ASN 4 HD22 ASN 4 -0.649 -6.981 0.072 17 H PHE 5 H PHE 5 -0.594 -10.945 -0.867 18 HA PHE 5 HA PHE 5 -0.532 -9.978 1.703 19 HB3 PHE 5 HB3 PHE 5 -1.395 -12.816 0.955 20 HD1 PHE 5 HD1 PHE 5 -1.467 -10.163 3.570 21 HD2 PHE 5 HD2 PHE 5 -3.430 -13.678 2.021 22 HE1 PHE 5 HE1 PHE 5 -2.724 -10.391 5.673 23 HE2 PHE 5 HE2 PHE 5 -4.693 -13.861 4.129 24 HZ PHE 5 HZ PHE 5 -4.406 -12.198 5.937 25 H GLN 6 H GLN 6 1.031 -12.945 0.493 26 HA GLN 6 HA GLN 6 2.054 -13.615 3.163 27 HB3 GLN 6 HB3 GLN 6 2.133 -15.013 0.466 28 HG3 GLN 6 HG3 GLN 6 3.974 -15.806 1.996 29 HE21 GLN 6 HE21 GLN 6 4.577 -16.045 4.119 30 HE22 GLN 6 HE22 GLN 6 3.565 -16.786 5.362 31 H THR 7 H THR 7 3.276 -12.104 0.128 32 HA THR 7 HA THR 7 6.014 -12.768 0.727 33 HB THR 7 HB THR 7 4.988 -11.851 -1.490 34 HG1 THR 7 HG1 THR 7 7.171 -12.380 -1.171 35 HG21 THR 7 HG21 THR 7 4.228 -9.654 -0.672 36 HG22 THR 7 HG22 THR 7 5.322 -9.597 -2.048 37 HG23 THR 7 HG23 THR 7 5.923 -9.184 -0.422 38 H LEU 8 H LEU 8 3.865 -10.179 1.785 39 HA LEU 8 HA LEU 8 5.699 -8.555 3.186 40 HB3 LEU 8 HB3 LEU 8 3.712 -7.938 4.581 41 HG LEU 8 HG LEU 8 3.211 -8.219 1.587 42 HD11 LEU 8 HD11 LEU 8 1.060 -8.217 2.666 43 HD12 LEU 8 HD12 LEU 8 1.337 -6.660 1.886 44 HD13 LEU 8 HD13 LEU 8 1.520 -6.825 3.661 45 HD21 LEU 8 HD21 LEU 8 4.981 -6.754 1.950 46 HD22 LEU 8 HD22 LEU 8 4.118 -5.885 3.254 47 HD23 LEU 8 HD23 LEU 8 3.569 -5.785 1.565 48 H LEU 9 H LEU 9 3.921 -11.512 4.321 49 HA LEU 9 HA LEU 9 4.946 -11.513 6.969 50 HB3 LEU 9 HB3 LEU 9 4.650 -14.113 6.558 51 HG LEU 9 HG LEU 9 2.189 -14.026 6.563 52 HD11 LEU 9 HD11 LEU 9 3.539 -14.076 8.659 53 HD12 LEU 9 HD12 LEU 9 2.014 -13.205 8.840 54 HD13 LEU 9 HD13 LEU 9 3.534 -12.291 8.684 55 HD21 LEU 9 HD21 LEU 9 1.914 -11.974 5.338 56 HD22 LEU 9 HD22 LEU 9 2.629 -11.035 6.680 57 HD23 LEU 9 HD23 LEU 9 1.085 -11.893 6.887 58 H ASP 10 H ASP 10 6.152 -12.913 3.926 59 HA ASP 10 HA ASP 10 8.345 -14.213 5.319 60 HB3 ASP 10 HB3 ASP 10 8.776 -14.287 2.485 61 H ALA 11 H ALA 11 8.010 -11.150 3.906 62 HA ALA 11 HA ALA 11 10.844 -10.532 3.720 63 HB1 ALA 11 HB1 ALA 11 9.128 -9.448 2.325 64 HB2 ALA 11 HB2 ALA 11 8.326 -8.825 3.779 65 HB3 ALA 11 HB3 ALA 11 9.954 -8.248 3.344 66 H GLY 12 H GLY 12 8.888 -11.156 6.415 67 HA2 GLY 12 HA2 GLY 12 10.190 -11.132 8.448 68 HA3 GLY 12 HA3 GLY 12 10.698 -9.492 8.105 69 H LEU 13 H LEU 13 7.524 -9.341 7.209 70 HA LEU 13 HA LEU 13 7.004 -7.815 9.674 71 HB3 LEU 13 HB3 LEU 13 5.190 -6.839 8.328 72 HG LEU 13 HG LEU 13 6.364 -5.444 7.030 73 HD11 LEU 13 HD11 LEU 13 8.454 -4.913 8.032 74 HD12 LEU 13 HD12 LEU 13 8.779 -6.583 8.500 75 HD13 LEU 13 HD13 LEU 13 7.506 -5.636 9.310 76 HD21 LEU 13 HD21 LEU 13 8.408 -7.549 6.243 77 HD22 LEU 13 HD22 LEU 13 8.265 -5.895 5.626 78 HD23 LEU 13 HD23 LEU 13 6.991 -7.069 5.284 79 HA PRO 14 HA PRO 14 4.078 -10.501 11.510 80 HB3 PRO 14 HB3 PRO 14 4.003 -8.907 13.262 81 HG3 PRO 14 HG3 PRO 14 3.855 -6.594 12.801 82 HD3 PRO 14 HD3 PRO 14 5.805 -7.392 11.729 83 H GLN 15 H GLN 15 1.858 -11.213 11.428 84 HA GLN 15 HA GLN 15 0.607 -11.007 8.877 85 HB3 GLN 15 HB3 GLN 15 -0.566 -11.961 11.521 86 HG3 GLN 15 HG3 GLN 15 -1.523 -12.019 8.680 87 HE21 GLN 15 HE21 GLN 15 -1.507 -13.883 7.600 88 HE22 GLN 15 HE22 GLN 15 -1.865 -15.471 8.213 89 H LYS 16 H LYS 16 -0.217 -9.370 12.021 90 HA LYS 16 HA LYS 16 -2.656 -8.352 11.143 91 HB3 LYS 16 HB3 LYS 16 -1.725 -8.419 13.472 92 HG3 LYS 16 HG3 LYS 16 -0.669 -5.652 12.813 93 HD3 LYS 16 HD3 LYS 16 -1.559 -6.418 15.166 94 HE3 LYS 16 HE3 LYS 16 1.292 -7.468 15.304 95 HZ1 LYS 16 HZ1 LYS 16 0.607 -8.224 17.404 96 HZ2 LYS 16 HZ2 LYS 16 -0.983 -7.978 17.098 97 HZ3 LYS 16 HZ3 LYS 16 0.021 -6.690 17.325 98 H VAL 17 H VAL 17 0.541 -7.104 10.433 99 HA VAL 17 HA VAL 17 -0.367 -4.563 9.373 100 HB VAL 17 HB VAL 17 2.240 -6.144 9.224 101 HG11 VAL 17 HG11 VAL 17 3.205 -4.069 8.160 102 HG12 VAL 17 HG12 VAL 17 2.164 -5.021 7.101 103 HG13 VAL 17 HG13 VAL 17 1.537 -3.525 7.854 104 HG21 VAL 17 HG21 VAL 17 1.454 -3.528 10.586 105 HG22 VAL 17 HG22 VAL 17 1.619 -5.094 11.369 106 HG23 VAL 17 HG23 VAL 17 3.029 -4.322 10.681 107 H ALA 18 H ALA 18 0.733 -7.650 7.818 108 HA ALA 18 HA ALA 18 -0.006 -7.097 5.252 109 HB1 ALA 18 HB1 ALA 18 -0.258 -9.829 6.585 110 HB2 ALA 18 HB2 ALA 18 0.068 -9.473 4.876 111 HB3 ALA 18 HB3 ALA 18 1.279 -9.103 6.078 112 H GLU 19 H GLU 19 -2.193 -8.295 7.831 113 HA GLU 19 HA GLU 19 -4.365 -9.029 6.234 114 HB3 GLU 19 HB3 GLU 19 -5.846 -8.594 8.133 115 HG3 GLU 19 HG3 GLU 19 -3.453 -9.755 9.481 116 H LYS 20 H LYS 20 -3.721 -5.806 7.631 117 HA LYS 20 HA LYS 20 -6.018 -4.590 6.387 118 HB3 LYS 20 HB3 LYS 20 -4.716 -2.439 7.081 119 HG3 LYS 20 HG3 LYS 20 -6.627 -3.532 8.315 120 HD3 LYS 20 HD3 LYS 20 -4.675 -4.147 10.548 121 HE3 LYS 20 HE3 LYS 20 -6.436 -5.834 11.065 122 HZ1 LYS 20 HZ1 LYS 20 -7.044 -3.733 11.981 123 HZ2 LYS 20 HZ2 LYS 20 -8.379 -4.360 11.270 124 HZ3 LYS 20 HZ3 LYS 20 -7.576 -3.144 10.526 125 H LEU 21 H LEU 21 -3.116 -5.597 5.046 126 HA LEU 21 HA LEU 21 -2.777 -3.317 3.180 127 HB3 LEU 21 HB3 LEU 21 -0.868 -5.648 3.610 128 HG LEU 21 HG LEU 21 -0.535 -2.725 2.877 129 HD11 LEU 21 HD11 LEU 21 1.741 -4.686 3.202 130 HD12 LEU 21 HD12 LEU 21 1.270 -3.553 4.469 131 HD13 LEU 21 HD13 LEU 21 1.838 -2.964 2.896 132 HD21 LEU 21 HD21 LEU 21 -0.938 -3.571 0.888 133 HD22 LEU 21 HD22 LEU 21 -0.385 -5.221 1.300 134 HD23 LEU 21 HD23 LEU 21 0.806 -3.953 0.972 135 H ASP 22 H ASP 22 -3.254 -6.901 3.195 136 HA ASP 22 HA ASP 22 -2.722 -7.127 0.479 137 HB3 ASP 22 HB3 ASP 22 -4.732 -8.800 2.011 138 H GLU 23 H GLU 23 -5.910 -6.293 1.933 139 HA GLU 23 HA GLU 23 -7.477 -6.420 -0.295 140 HB3 GLU 23 HB3 GLU 23 -7.490 -4.317 1.920 141 HG3 GLU 23 HG3 GLU 23 -9.666 -6.038 0.778 142 H ILE 24 H ILE 24 -4.967 -4.032 0.456 143 HA ILE 24 HA ILE 24 -5.798 -1.892 -1.273 144 HB ILE 24 HB ILE 24 -2.977 -2.671 -0.393 145 HG13 ILE 24 HG13 ILE 24 -4.469 -2.496 1.605 146 HG21 ILE 24 HG21 ILE 24 -2.356 -0.394 -0.738 147 HG22 ILE 24 HG22 ILE 24 -3.136 -0.942 -2.206 148 HG23 ILE 24 HG23 ILE 24 -4.031 0.090 -1.075 149 HD11 ILE 24 HD11 ILE 24 -3.323 -0.917 2.901 150 HD12 ILE 24 HD12 ILE 24 -2.133 -1.580 1.767 151 HD13 ILE 24 HD13 ILE 24 -2.821 0.036 1.495 152 H TYR 25 H TYR 25 -3.993 -4.893 -1.631 153 HA TYR 25 HA TYR 25 -3.251 -4.435 -4.438 154 HB3 TYR 25 HB3 TYR 25 -2.243 -6.766 -4.070 155 HD1 TYR 25 HD1 TYR 25 -1.570 -4.608 -1.026 156 HD2 TYR 25 HD2 TYR 25 -0.537 -5.537 -5.110 157 HE1 TYR 25 HE1 TYR 25 0.412 -3.136 -0.900 158 HE2 TYR 25 HE2 TYR 25 1.491 -4.096 -4.931 159 HH TYR 25 HH TYR 25 2.620 -2.618 -3.595 160 H VAL 26 H VAL 26 -6.138 -5.135 -3.156 161 HA VAL 26 HA VAL 26 -6.883 -7.034 -5.365 162 HB VAL 26 HB VAL 26 -7.898 -6.811 -2.500 163 HG11 VAL 26 HG11 VAL 26 -9.751 -7.465 -3.954 164 HG12 VAL 26 HG12 VAL 26 -8.745 -8.727 -4.700 165 HG13 VAL 26 HG13 VAL 26 -9.207 -8.832 -2.975 166 HG21 VAL 26 HG21 VAL 26 -5.672 -7.959 -2.746 167 HG22 VAL 26 HG22 VAL 26 -6.961 -8.988 -2.157 168 HG23 VAL 26 HG23 VAL 26 -6.429 -9.105 -3.860 169 H ALA 27 H ALA 27 -7.612 -4.063 -3.618 170 HA ALA 27 HA ALA 27 -10.137 -3.522 -4.674 171 HB1 ALA 27 HB1 ALA 27 -9.066 -2.272 -2.853 172 HB2 ALA 27 HB2 ALA 27 -7.806 -1.687 -3.955 173 HB3 ALA 27 HB3 ALA 27 -9.497 -1.151 -4.173 174 H GLY 28 H GLY 28 -6.892 -2.918 -6.061 175 HA2 GLY 28 HA2 GLY 28 -6.580 -2.898 -8.452 176 HA3 GLY 28 HA3 GLY 28 -8.051 -1.950 -8.630 177 H LEU 29 H LEU 29 -6.241 -1.011 -5.866 178 HA LEU 29 HA LEU 29 -5.711 1.665 -6.791 179 HB3 LEU 29 HB3 LEU 29 -4.364 1.708 -4.604 180 HG LEU 29 HG LEU 29 -7.230 0.721 -4.482 181 HD11 LEU 29 HD11 LEU 29 -5.465 1.645 -2.190 182 HD12 LEU 29 HD12 LEU 29 -6.077 -0.009 -2.445 183 HD13 LEU 29 HD13 LEU 29 -7.206 1.307 -2.094 184 HD21 LEU 29 HD21 LEU 29 -6.939 3.009 -5.346 185 HD22 LEU 29 HD22 LEU 29 -5.907 3.419 -3.947 186 HD23 LEU 29 HD23 LEU 29 -7.621 3.055 -3.714 187 H VAL 30 H VAL 30 -3.958 -1.322 -6.762 188 HA VAL 30 HA VAL 30 -1.594 -0.191 -8.029 189 HB VAL 30 HB VAL 30 -0.153 -1.582 -6.449 190 HG11 VAL 30 HG11 VAL 30 -0.160 0.842 -6.353 191 HG12 VAL 30 HG12 VAL 30 -1.461 0.797 -5.148 192 HG13 VAL 30 HG13 VAL 30 0.126 0.065 -4.783 193 HG21 VAL 30 HG21 VAL 30 -0.976 -2.006 -4.178 194 HG22 VAL 30 HG22 VAL 30 -2.587 -1.454 -4.621 195 HG23 VAL 30 HG23 VAL 30 -1.914 -2.917 -5.366 196 H ALA 31 H ALA 31 -0.240 -2.005 -8.859 197 HA ALA 31 HA ALA 31 -1.599 -4.646 -9.098 198 HB1 ALA 31 HB1 ALA 31 0.853 -3.537 -10.542 199 HB2 ALA 31 HB2 ALA 31 0.198 -5.170 -10.719 200 HB3 ALA 31 HB3 ALA 31 -0.738 -3.761 -11.281 201 H HIS 32 H HIS 32 0.010 -6.405 -8.454 202 HA HIS 32 HA HIS 32 1.404 -5.841 -6.038 203 HB3 HIS 32 HB3 HIS 32 0.624 -8.100 -6.842 204 HD1 HIS 32 HD1 HIS 32 4.254 -8.742 -7.681 205 HD2 HIS 32 HD2 HIS 32 0.521 -8.284 -9.495 206 HE1 HIS 32 HE1 HIS 32 4.553 -9.545 -10.082 207 H SER 33 H SER 33 2.501 -5.872 -9.392 208 HA SER 33 HA SER 33 5.220 -5.477 -8.615 209 HB3 SER 33 HB3 SER 33 4.061 -5.364 -11.440 210 HG SER 33 HG SER 33 6.130 -5.029 -11.714 211 H ASP 34 H ASP 34 3.951 -3.551 -7.449 212 HA ASP 34 HA ASP 34 4.626 -1.020 -8.901 213 HB3 ASP 34 HB3 ASP 34 3.021 -0.053 -7.039 214 H LEU 35 H LEU 35 5.378 -3.102 -6.292 215 HA LEU 35 HA LEU 35 7.006 -0.946 -5.062 216 HB3 LEU 35 HB3 LEU 35 7.402 -2.419 -3.171 217 HG LEU 35 HG LEU 35 4.417 -2.340 -3.592 218 HD11 LEU 35 HD11 LEU 35 4.363 -2.091 -1.132 219 HD12 LEU 35 HD12 LEU 35 6.135 -2.063 -1.084 220 HD13 LEU 35 HD13 LEU 35 5.278 -3.533 -1.586 221 HD21 LEU 35 HD21 LEU 35 5.154 -0.074 -4.119 222 HD22 LEU 35 HD22 LEU 35 6.137 -0.026 -2.634 223 HD23 LEU 35 HD23 LEU 35 4.370 -0.101 -2.548 224 H ASP 36 H ASP 36 9.133 -1.457 -4.544 225 HA ASP 36 HA ASP 36 10.560 -3.459 -6.150 226 HB3 ASP 36 HB3 ASP 36 12.258 -1.463 -6.431 227 H GLU 37 H GLU 37 12.984 -3.239 -5.162 228 HA GLU 37 HA GLU 37 12.613 -4.111 -2.493 229 HB3 GLU 37 HB3 GLU 37 15.308 -3.170 -3.493 230 HG3 GLU 37 HG3 GLU 37 14.876 -4.476 -1.263 231 H ARG 38 H ARG 38 13.553 -1.053 -3.853 232 HA ARG 38 HA ARG 38 14.425 0.302 -1.525 233 HB3 ARG 38 HB3 ARG 38 13.965 2.389 -2.861 234 HG3 ARG 38 HG3 ARG 38 15.316 0.158 -4.263 235 HD3 ARG 38 HD3 ARG 38 13.682 0.848 -6.039 236 HE ARG 38 HE ARG 38 14.381 3.537 -5.341 237 HH11 ARG 38 HH11 ARG 38 13.987 1.574 -8.347 238 HH12 ARG 38 HH12 ARG 38 13.713 2.972 -9.308 239 HH21 ARG 38 HH21 ARG 38 13.929 5.315 -6.660 240 HH22 ARG 38 HH22 ARG 38 13.647 5.111 -8.354 241 H ALA 39 H ALA 39 11.171 -0.666 -2.246 242 HA ALA 39 HA ALA 39 10.117 1.321 -0.246 243 HB1 ALA 39 HB1 ALA 39 8.822 1.297 -2.367 244 HB2 ALA 39 HB2 ALA 39 8.571 -0.454 -2.186 245 HB3 ALA 39 HB3 ALA 39 7.877 0.687 -1.013 246 H ILE 40 H ILE 40 10.771 -2.116 -0.882 247 HA ILE 40 HA ILE 40 9.216 -3.072 1.375 248 HB ILE 40 HB ILE 40 11.508 -4.415 -0.087 249 HG13 ILE 40 HG13 ILE 40 9.799 -5.656 -1.277 250 HG21 ILE 40 HG21 ILE 40 10.464 -6.503 0.860 251 HG22 ILE 40 HG22 ILE 40 11.140 -5.427 2.099 252 HG23 ILE 40 HG23 ILE 40 9.393 -5.485 1.843 253 HD11 ILE 40 HD11 ILE 40 7.729 -3.698 -0.198 254 HD12 ILE 40 HD12 ILE 40 7.482 -4.878 -1.493 255 HD13 ILE 40 HD13 ILE 40 7.793 -5.442 0.155 256 H GLU 41 H GLU 41 12.641 -2.118 0.788 257 HA GLU 41 HA GLU 41 13.764 -2.895 3.171 258 HB3 GLU 41 HB3 GLU 41 14.774 -1.759 1.025 259 HG3 GLU 41 HG3 GLU 41 14.580 0.714 2.773 260 H ALA 42 H ALA 42 12.098 0.169 2.602 261 HA ALA 42 HA ALA 42 12.512 1.003 5.381 262 HB1 ALA 42 HB1 ALA 42 11.418 3.048 4.662 263 HB2 ALA 42 HB2 ALA 42 12.629 2.549 3.472 264 HB3 ALA 42 HB3 ALA 42 10.906 2.278 3.128 265 H LEU 43 H LEU 43 10.139 -0.872 3.766 266 HA LEU 43 HA LEU 43 8.146 -0.474 5.924 267 HB3 LEU 43 HB3 LEU 43 6.929 -2.294 4.479 268 HG LEU 43 HG LEU 43 7.382 0.511 3.407 269 HD11 LEU 43 HD11 LEU 43 6.561 -1.010 1.672 270 HD12 LEU 43 HD12 LEU 43 5.346 0.176 2.144 271 HD13 LEU 43 HD13 LEU 43 5.213 -1.503 2.720 272 HD21 LEU 43 HD21 LEU 43 5.177 -0.612 5.194 273 HD22 LEU 43 HD22 LEU 43 5.127 0.986 4.418 274 HD23 LEU 43 HD23 LEU 43 6.354 0.648 5.630 275 H LYS 44 H LYS 44 10.956 -2.382 5.292 276 HA LYS 44 HA LYS 44 10.062 -4.727 6.662 277 HB3 LYS 44 HB3 LYS 44 12.942 -3.874 6.700 278 HG3 LYS 44 HG3 LYS 44 11.642 -6.441 5.726 279 HD3 LYS 44 HD3 LYS 44 14.105 -6.283 5.402 280 HE3 LYS 44 HE3 LYS 44 15.051 -6.761 8.026 281 HZ1 LYS 44 HZ1 LYS 44 15.752 -4.257 7.765 282 HZ2 LYS 44 HZ2 LYS 44 15.284 -4.503 6.207 283 HZ3 LYS 44 HZ3 LYS 44 16.440 -5.453 6.864 284 H GLU 45 H GLU 45 10.822 -1.563 7.714 285 HA GLU 45 HA GLU 45 11.221 -2.421 10.540 286 HB3 GLU 45 HB3 GLU 45 13.349 -1.985 9.823 287 HG3 GLU 45 HG3 GLU 45 12.239 0.187 8.051 288 H PHE 46 H PHE 46 9.127 -1.962 11.160 289 HA PHE 46 HA PHE 46 8.794 0.897 11.833 290 HB3 PHE 46 HB3 PHE 46 7.252 0.657 10.040 291 HD1 PHE 46 HD1 PHE 46 5.950 -2.046 12.376 292 HD2 PHE 46 HD2 PHE 46 6.905 -0.915 8.322 293 HE1 PHE 46 HE1 PHE 46 5.184 -4.229 11.609 294 HE2 PHE 46 HE2 PHE 46 5.967 -3.079 7.548 295 HZ PHE 46 HZ PHE 46 5.153 -4.745 9.175 296 H ASN 47 H ASN 47 7.266 1.109 13.669 297 HA ASN 47 HA ASN 47 7.135 -1.091 15.608 298 HB3 ASN 47 HB3 ASN 47 7.287 1.056 16.660 299 HD21 ASN 47 HD21 ASN 47 4.335 2.434 16.897 300 HD22 ASN 47 HD22 ASN 47 4.514 3.608 15.621 301 H GLU 48 H GLU 48 5.135 -1.796 16.263 302 HA GLU 48 HA GLU 48 3.579 -2.930 14.496 303 HB3 GLU 48 HB3 GLU 48 3.093 -2.182 17.366 304 HG3 GLU 48 HG3 GLU 48 1.118 -3.595 15.603 305 H ASP 49 H ASP 49 2.764 0.257 15.813 306 HA ASP 49 HA ASP 49 0.262 0.344 14.236 307 HB3 ASP 49 HB3 ASP 49 1.315 2.769 15.590 308 H GLY 50 H GLY 50 3.560 1.442 14.038 309 HA2 GLY 50 HA2 GLY 50 3.485 3.715 12.445 310 HA3 GLY 50 HA3 GLY 50 4.807 2.517 12.495 311 H ALA 51 H ALA 51 3.459 0.290 11.426 312 HA ALA 51 HA ALA 51 3.457 0.818 8.587 313 HB1 ALA 51 HB1 ALA 51 3.997 -1.387 9.509 314 HB2 ALA 51 HB2 ALA 51 2.359 -1.543 10.151 315 HB3 ALA 51 HB3 ALA 51 2.621 -1.470 8.390 316 H LEU 52 H LEU 52 0.849 -0.073 10.850 317 HA LEU 52 HA LEU 52 -1.225 -0.042 8.948 318 HB3 LEU 52 HB3 LEU 52 -2.637 0.003 11.153 319 HG LEU 52 HG LEU 52 -0.584 -2.096 10.437 320 HD11 LEU 52 HD11 LEU 52 -2.554 -2.316 12.745 321 HD12 LEU 52 HD12 LEU 52 -0.786 -2.228 12.892 322 HD13 LEU 52 HD13 LEU 52 -1.540 -3.625 12.096 323 HD21 LEU 52 HD21 LEU 52 -3.643 -2.103 10.482 324 HD22 LEU 52 HD22 LEU 52 -2.605 -3.397 9.886 325 HD23 LEU 52 HD23 LEU 52 -2.641 -1.840 9.047 326 H ALA 53 H ALA 53 0.151 2.667 10.703 327 HA ALA 53 HA ALA 53 -2.105 4.461 10.338 328 HB1 ALA 53 HB1 ALA 53 0.870 4.957 10.877 329 HB2 ALA 53 HB2 ALA 53 -0.413 6.179 10.954 330 HB3 ALA 53 HB3 ALA 53 -0.423 4.827 12.095 331 H VAL 54 H VAL 54 0.876 3.695 8.619 332 HA VAL 54 HA VAL 54 0.699 5.864 6.687 333 HB VAL 54 HB VAL 54 2.503 3.440 7.126 334 HG11 VAL 54 HG11 VAL 54 2.774 5.478 4.914 335 HG12 VAL 54 HG12 VAL 54 4.008 4.290 5.392 336 HG13 VAL 54 HG13 VAL 54 2.479 3.727 4.720 337 HG21 VAL 54 HG21 VAL 54 2.998 6.443 7.271 338 HG22 VAL 54 HG22 VAL 54 2.813 5.347 8.662 339 HG23 VAL 54 HG23 VAL 54 4.194 5.162 7.574 340 H LEU 55 H LEU 55 0.194 2.306 6.693 341 HA LEU 55 HA LEU 55 -0.455 2.045 3.942 342 HB3 LEU 55 HB3 LEU 55 -1.730 0.026 4.697 343 HG LEU 55 HG LEU 55 0.976 0.358 6.061 344 HD11 LEU 55 HD11 LEU 55 1.021 -2.078 6.133 345 HD12 LEU 55 HD12 LEU 55 -0.640 -2.137 5.477 346 HD13 LEU 55 HD13 LEU 55 -0.332 -1.439 7.074 347 HD21 LEU 55 HD21 LEU 55 1.826 -0.932 4.112 348 HD22 LEU 55 HD22 LEU 55 1.275 0.695 3.717 349 HD23 LEU 55 HD23 LEU 55 0.242 -0.689 3.320 350 H GLN 56 H GLN 56 -2.432 3.113 6.702 351 HA GLN 56 HA GLN 56 -4.866 3.184 5.233 352 HB3 GLN 56 HB3 GLN 56 -5.058 5.290 7.102 353 HG3 GLN 56 HG3 GLN 56 -6.291 3.771 8.492 354 HE21 GLN 56 HE21 GLN 56 -6.605 5.070 5.657 355 HE22 GLN 56 HE22 GLN 56 -7.721 4.082 4.807 356 H GLN 57 H GLN 57 -2.448 5.682 5.758 357 HA GLN 57 HA GLN 57 -3.716 7.754 4.232 358 HB3 GLN 57 HB3 GLN 57 -1.414 8.621 3.801 359 HG3 GLN 57 HG3 GLN 57 -1.811 8.061 6.748 360 HE21 GLN 57 HE21 GLN 57 -0.340 9.340 7.960 361 HE22 GLN 57 HE22 GLN 57 0.457 10.772 7.301 362 H PHE 58 H PHE 58 -1.471 5.158 3.205 363 HA PHE 58 HA PHE 58 -1.326 5.977 0.504 364 HB3 PHE 58 HB3 PHE 58 -1.017 3.192 1.645 365 HD1 PHE 58 HD1 PHE 58 1.163 5.125 -0.691 366 HD2 PHE 58 HD2 PHE 58 -1.673 1.889 -0.325 367 HE1 PHE 58 HE1 PHE 58 1.752 4.339 -2.961 368 HE2 PHE 58 HE2 PHE 58 -1.079 1.123 -2.610 369 HZ PHE 58 HZ PHE 58 0.625 2.358 -3.941 370 H LYS 59 H LYS 59 -3.686 3.791 2.010 371 HA LYS 59 HA LYS 59 -5.155 3.042 -0.311 372 HB3 LYS 59 HB3 LYS 59 -7.146 2.981 1.283 373 HG3 LYS 59 HG3 LYS 59 -4.511 1.692 2.014 374 HD3 LYS 59 HD3 LYS 59 -5.995 1.747 4.060 375 HE3 LYS 59 HE3 LYS 59 -7.881 0.536 2.085 376 HZ1 LYS 59 HZ1 LYS 59 -7.529 -1.343 3.339 377 HZ2 LYS 59 HZ2 LYS 59 -8.939 -0.738 3.834 378 HZ3 LYS 59 HZ3 LYS 59 -7.617 -0.575 4.813 379 H ASP 60 H ASP 60 -4.852 6.155 1.144 380 HA ASP 60 HA ASP 60 -7.202 7.241 -0.322 381 HB3 ASP 60 HB3 ASP 60 -6.144 8.284 2.326 382 H SER 61 H SER 61 -4.961 7.057 -1.730 383 HA SER 61 HA SER 61 -4.146 9.864 -1.912 384 HB3 SER 61 HB3 SER 61 -2.238 8.952 -0.986 385 HG SER 61 HG SER 61 -2.683 6.648 -1.584 386 H ASP 62 H ASP 62 -3.599 10.497 -4.075 387 HA ASP 62 HA ASP 62 -5.328 9.256 -6.106 388 HB3 ASP 62 HB3 ASP 62 -3.517 11.691 -6.163 389 H LEU 63 H LEU 63 -4.473 7.321 -6.701 390 HA LEU 63 HA LEU 63 -1.680 7.262 -7.742 391 HB3 LEU 63 HB3 LEU 63 -1.748 4.876 -7.405 392 HG LEU 63 HG LEU 63 -2.763 6.315 -4.913 393 HD11 LEU 63 HD11 LEU 63 -3.185 3.923 -4.743 394 HD12 LEU 63 HD12 LEU 63 -1.897 4.434 -3.646 395 HD13 LEU 63 HD13 LEU 63 -1.491 3.568 -5.153 396 HD21 LEU 63 HD21 LEU 63 0.060 5.545 -5.790 397 HD22 LEU 63 HD22 LEU 63 -0.398 6.286 -4.237 398 HD23 LEU 63 HD23 LEU 63 -0.612 7.195 -5.733 399 H SER 64 H SER 64 -4.482 8.113 -8.970 400 HA SER 64 HA SER 64 -5.145 6.145 -10.921 401 HB3 SER 64 HB3 SER 64 -5.727 9.139 -10.933 402 HG SER 64 HG SER 64 -7.600 8.502 -11.975 403 H HIS 65 H HIS 65 -2.877 8.909 -10.896 404 HA HIS 65 HA HIS 65 -2.078 8.368 -13.711 405 HB3 HIS 65 HB3 HIS 65 -2.110 10.765 -14.150 406 HD1 HIS 65 HD1 HIS 65 -4.131 9.643 -15.769 407 HD2 HIS 65 HD2 HIS 65 -5.119 11.260 -11.993 408 HE1 HIS 65 HE1 HIS 65 -6.612 9.979 -15.781 409 H VAL 66 H VAL 66 -0.541 7.224 -11.926 410 HA VAL 66 HA VAL 66 1.785 9.028 -11.666 411 HB VAL 66 HB VAL 66 0.648 8.811 -9.449 412 HG11 VAL 66 HG11 VAL 66 0.746 6.753 -8.195 413 HG12 VAL 66 HG12 VAL 66 -0.175 6.498 -9.685 414 HG13 VAL 66 HG13 VAL 66 1.493 5.899 -9.566 415 HG21 VAL 66 HG21 VAL 66 3.118 9.243 -9.620 416 HG22 VAL 66 HG22 VAL 66 2.619 8.427 -8.132 417 HG23 VAL 66 HG23 VAL 66 3.393 7.492 -9.397 418 H GLN 67 H GLN 67 3.807 7.674 -11.459 419 HA GLN 67 HA GLN 67 3.630 5.313 -13.260 420 HB3 GLN 67 HB3 GLN 67 6.045 7.033 -12.549 421 HG3 GLN 67 HG3 GLN 67 5.507 5.109 -14.853 422 HE21 GLN 67 HE21 GLN 67 7.921 4.528 -15.721 423 HE22 GLN 67 HE22 GLN 67 8.827 5.967 -16.191 424 H ASN 68 H ASN 68 6.143 6.141 -10.787 425 HA ASN 68 HA ASN 68 5.927 3.419 -9.799 426 HB3 ASN 68 HB3 ASN 68 8.123 4.121 -10.138 427 HD21 ASN 68 HD21 ASN 68 9.999 5.124 -8.691 428 HD22 ASN 68 HD22 ASN 68 9.972 6.871 -8.616 429 H LYS 69 H LYS 69 3.951 3.357 -8.805 430 HA LYS 69 HA LYS 69 3.082 4.891 -6.594 431 HB3 LYS 69 HB3 LYS 69 2.127 2.482 -5.914 432 HG3 LYS 69 HG3 LYS 69 1.147 4.530 -7.615 433 HD3 LYS 69 HD3 LYS 69 0.492 1.777 -8.718 434 HE3 LYS 69 HE3 LYS 69 -0.289 3.577 -10.617 435 HZ1 LYS 69 HZ1 LYS 69 -2.554 3.236 -9.865 436 HZ2 LYS 69 HZ2 LYS 69 -2.056 2.597 -8.449 437 HZ3 LYS 69 HZ3 LYS 69 -1.704 1.848 -9.865 438 H SER 70 H SER 70 5.788 2.538 -6.620 439 HA SER 70 HA SER 70 6.030 2.144 -3.835 440 HB3 SER 70 HB3 SER 70 7.659 0.874 -4.731 441 HG SER 70 HG SER 70 7.300 1.051 -6.839 442 H ALA 71 H ALA 71 7.218 4.815 -5.917 443 HA ALA 71 HA ALA 71 8.758 6.086 -3.871 444 HB1 ALA 71 HB1 ALA 71 9.108 6.515 -6.250 445 HB2 ALA 71 HB2 ALA 71 7.486 7.175 -6.430 446 HB3 ALA 71 HB3 ALA 71 8.687 8.028 -5.424 447 H PHE 72 H PHE 72 5.322 6.346 -4.850 448 HA PHE 72 HA PHE 72 4.666 8.564 -3.202 449 HB3 PHE 72 HB3 PHE 72 2.644 6.379 -3.614 450 HD1 PHE 72 HD1 PHE 72 2.186 8.490 -1.657 451 HD2 PHE 72 HD2 PHE 72 1.798 8.653 -5.957 452 HE1 PHE 72 HE1 PHE 72 0.578 10.332 -1.442 453 HE2 PHE 72 HE2 PHE 72 0.172 10.493 -5.725 454 HZ PHE 72 HZ PHE 72 -0.415 11.366 -3.475 455 H LEU 73 H LEU 73 4.676 5.020 -2.489 456 HA LEU 73 HA LEU 73 3.611 5.338 0.133 457 HB3 LEU 73 HB3 LEU 73 5.289 3.097 -1.073 458 HG LEU 73 HG LEU 73 5.081 2.559 1.261 459 HD11 LEU 73 HD11 LEU 73 2.904 2.464 2.447 460 HD12 LEU 73 HD12 LEU 73 2.124 3.225 1.042 461 HD13 LEU 73 HD13 LEU 73 3.319 4.122 2.004 462 HD21 LEU 73 HD21 LEU 73 4.602 0.726 -0.266 463 HD22 LEU 73 HD22 LEU 73 2.914 1.245 -0.456 464 HD23 LEU 73 HD23 LEU 73 3.462 0.588 1.086 465 H CYS 74 H CYS 74 6.937 5.231 -1.143 466 HA CYS 74 HA CYS 74 8.278 5.489 1.386 467 HB3 CYS 74 HB3 CYS 74 10.120 6.438 -0.216 468 HG CYS 74 HG CYS 74 11.148 4.239 -0.462 469 H GLY 75 H GLY 75 6.627 7.872 -0.645 470 HA2 GLY 75 HA2 GLY 75 7.757 10.206 0.552 471 HA3 GLY 75 HA3 GLY 75 6.191 10.076 -0.286 472 H VAL 76 H VAL 76 4.499 8.693 1.093 473 HA VAL 76 HA VAL 76 3.946 10.359 3.254 474 HB VAL 76 HB VAL 76 2.175 9.325 2.103 475 HG11 VAL 76 HG11 VAL 76 2.947 7.204 1.411 476 HG12 VAL 76 HG12 VAL 76 3.184 6.650 3.081 477 HG13 VAL 76 HG13 VAL 76 1.539 6.950 2.456 478 HG21 VAL 76 HG21 VAL 76 0.784 8.757 3.896 479 HG22 VAL 76 HG22 VAL 76 2.114 8.181 4.923 480 HG23 VAL 76 HG23 VAL 76 1.934 9.913 4.552 481 H MET 77 H MET 77 5.588 7.160 3.423 482 HA MET 77 HA MET 77 5.489 6.992 6.264 483 HB3 MET 77 HB3 MET 77 6.132 5.093 4.804 484 HG3 MET 77 HG3 MET 77 8.746 6.629 4.621 485 HE1 MET 77 HE1 MET 77 8.357 2.412 2.800 486 HE2 MET 77 HE2 MET 77 7.122 2.931 3.975 487 HE3 MET 77 HE3 MET 77 7.284 3.763 2.410 488 H LYS 78 H LYS 78 7.446 9.110 4.229 489 HA LYS 78 HA LYS 78 9.488 9.575 6.262 490 HB3 LYS 78 HB3 LYS 78 9.051 11.743 4.311 491 HG3 LYS 78 HG3 LYS 78 11.233 10.745 5.611 492 HD3 LYS 78 HD3 LYS 78 12.766 9.754 4.021 493 HE3 LYS 78 HE3 LYS 78 10.223 8.128 3.631 494 HZ1 LYS 78 HZ1 LYS 78 13.095 7.404 3.523 495 HZ2 LYS 78 HZ2 LYS 78 12.065 7.442 2.256 496 HZ3 LYS 78 HZ3 LYS 78 11.893 6.320 3.452 497 H THR 79 H THR 79 6.356 11.057 5.229 498 HA THR 79 HA THR 79 6.665 13.418 6.779 499 HB THR 79 HB THR 79 4.178 12.193 5.508 500 HG1 THR 79 HG1 THR 79 4.928 13.265 3.638 501 HG21 THR 79 HG21 THR 79 3.501 14.546 5.243 502 HG22 THR 79 HG22 THR 79 5.014 15.093 6.000 503 HG23 THR 79 HG23 THR 79 3.808 14.217 6.959 504 H TYR 80 H TYR 80 4.478 10.510 7.336 505 HA TYR 80 HA TYR 80 3.293 11.669 9.592 506 HB3 TYR 80 HB3 TYR 80 2.761 9.487 8.298 507 HD1 TYR 80 HD1 TYR 80 5.189 8.411 7.967 508 HD2 TYR 80 HD2 TYR 80 2.684 7.821 11.429 509 HE1 TYR 80 HE1 TYR 80 6.462 6.372 8.532 510 HE2 TYR 80 HE2 TYR 80 3.944 5.770 11.987 511 HH TYR 80 HH TYR 80 6.589 4.540 9.901 512 H ARG 81 H ARG 81 6.305 9.815 9.423 513 HA ARG 81 HA ARG 81 7.016 9.469 12.026 514 HB3 ARG 81 HB3 ARG 81 9.401 10.193 10.682 515 HG3 ARG 81 HG3 ARG 81 7.937 7.511 10.701 516 HD3 ARG 81 HD3 ARG 81 10.504 6.867 10.941 517 HE ARG 81 HE ARG 81 8.844 7.030 8.551 518 HH11 ARG 81 HH11 ARG 81 12.206 6.157 9.616 519 HH12 ARG 81 HH12 ARG 81 12.070 4.603 8.854 520 HH21 ARG 81 HH21 ARG 81 8.888 4.768 7.706 521 HH22 ARG 81 HH22 ARG 81 10.426 3.991 7.629 522 H GLN 82 H GLN 82 6.989 12.640 10.374 523 HA GLN 82 HA GLN 82 8.827 13.952 12.025 524 HB3 GLN 82 HB3 GLN 82 7.808 14.862 9.973 525 HG3 GLN 82 HG3 GLN 82 5.318 14.397 10.992 526 HE21 GLN 82 HE21 GLN 82 3.735 16.672 10.231 527 HE22 GLN 82 HE22 GLN 82 3.719 17.753 11.626 528 H ARG 83 H ARG 83 5.420 13.150 12.698 529 HA ARG 83 HA ARG 83 5.338 14.679 15.146 530 HB3 ARG 83 HB3 ARG 83 3.296 13.434 15.675 531 HG3 ARG 83 HG3 ARG 83 3.502 15.196 13.553 532 HD3 ARG 83 HD3 ARG 83 2.320 12.565 12.647 533 HE ARG 83 HE ARG 83 1.090 15.180 12.201 534 HH11 ARG 83 HH11 ARG 83 0.970 11.719 11.534 535 HH12 ARG 83 HH12 ARG 83 -0.360 11.852 10.434 536 HH21 ARG 83 HH21 ARG 83 -0.755 15.302 10.894 537 HH22 ARG 83 HH22 ARG 83 -1.401 13.890 10.118 538 H GLU 84 H GLU 84 6.858 11.677 14.458 539 HA GLU 84 HA GLU 84 6.549 10.629 17.216 540 HB3 GLU 84 HB3 GLU 84 7.743 8.629 16.094 541 HG3 GLU 84 HG3 GLU 84 5.675 7.943 14.815 542 H LYS 85 H LYS 85 9.182 11.008 14.746 543 HA LYS 85 HA LYS 85 11.083 11.906 16.738 544 HB3 LYS 85 HB3 LYS 85 11.608 9.204 15.440 545 HG3 LYS 85 HG3 LYS 85 12.547 10.309 18.131 546 HD3 LYS 85 HD3 LYS 85 14.459 8.728 17.661 547 HE3 LYS 85 HE3 LYS 85 11.672 7.567 17.959 548 HZ1 LYS 85 HZ1 LYS 85 12.793 5.561 18.720 549 HZ2 LYS 85 HZ2 LYS 85 14.252 6.144 18.271 550 HZ3 LYS 85 HZ3 LYS 85 13.100 5.808 17.141 551 H GLN 86 H GLN 86 13.162 12.458 15.561 552 HA GLN 86 HA GLN 86 12.629 12.849 12.656 553 HB3 GLN 86 HB3 GLN 86 11.811 14.737 13.655 554 HG3 GLN 86 HG3 GLN 86 14.350 15.097 15.281 555 HE21 GLN 86 HE21 GLN 86 11.587 16.345 16.785 556 HE22 GLN 86 HE22 GLN 86 11.808 18.000 16.314 557 H GLY 87 H GLY 87 14.037 11.320 11.971 558 HA2 GLY 87 HA2 GLY 87 16.757 12.338 11.666 559 HA3 GLY 87 HA3 GLY 87 16.645 10.764 12.486 560 H THR 88 H THR 88 14.752 12.331 9.872 561 HA THR 88 HA THR 88 15.566 10.395 7.868 562 HB THR 88 HB THR 88 12.614 10.775 8.486 563 HG1 THR 88 HG1 THR 88 13.134 9.636 10.206 564 HG21 THR 88 HG21 THR 88 14.113 8.585 6.968 565 HG22 THR 88 HG22 THR 88 13.337 9.976 6.202 566 HG23 THR 88 HG23 THR 88 12.354 8.781 7.086 567 H LYS 89 H LYS 89 15.736 11.657 5.961 568 HA LYS 89 HA LYS 89 13.682 13.581 5.248 569 HB3 LYS 89 HB3 LYS 89 14.920 15.086 6.520 570 HG3 LYS 89 HG3 LYS 89 17.301 13.728 6.043 571 HD3 LYS 89 HD3 LYS 89 17.557 16.553 4.923 572 HE3 LYS 89 HE3 LYS 89 19.773 15.709 4.142 573 HZ1 LYS 89 HZ1 LYS 89 19.420 15.285 7.045 574 HZ2 LYS 89 HZ2 LYS 89 19.797 16.729 6.301 575 HZ3 LYS 89 HZ3 LYS 89 20.848 15.473 6.258 576 H VAL 90 H VAL 90 13.270 12.213 3.558 577 HA VAL 90 HA VAL 90 15.102 12.320 1.307 578 HB VAL 90 HB VAL 90 14.160 9.558 2.118 579 HG11 VAL 90 HG11 VAL 90 15.863 8.821 0.476 580 HG12 VAL 90 HG12 VAL 90 14.713 9.917 -0.293 581 HG13 VAL 90 HG13 VAL 90 16.317 10.513 0.176 582 HG21 VAL 90 HG21 VAL 90 16.953 10.688 2.597 583 HG22 VAL 90 HG22 VAL 90 15.797 10.169 3.854 584 HG23 VAL 90 HG23 VAL 90 16.483 8.994 2.745 585 H ALA 91 H ALA 91 12.901 13.751 1.589 586 HA ALA 91 HA ALA 91 10.487 12.663 0.418 587 HB1 ALA 91 HB1 ALA 91 10.490 14.859 1.506 588 HB2 ALA 91 HB2 ALA 91 11.732 15.443 0.366 589 HB3 ALA 91 HB3 ALA 91 10.113 15.058 -0.221 590 H ASP 92 H ASP 92 9.918 12.762 -1.886 591 HA ASP 92 HA ASP 92 11.880 13.349 -3.879 592 HB3 ASP 92 HB3 ASP 92 11.034 10.432 -3.621 593 H SER 93 H SER 93 10.764 12.757 -6.160 594 HA SER 93 HA SER 93 7.870 12.584 -6.040 595 HB3 SER 93 HB3 SER 93 7.293 14.720 -6.383 596 HG SER 93 HG SER 93 10.027 15.394 -6.033 597 H SER 94 H SER 94 7.013 12.636 -8.452 598 HA SER 94 HA SER 94 8.583 11.916 -10.627 599 HB3 SER 94 HB3 SER 94 7.948 9.356 -10.267 600 HG SER 94 HG SER 94 10.098 10.765 -9.091 601 H LYS 95 H LYS 95 7.166 12.004 -12.166 602 HA LYS 95 HA LYS 95 4.352 11.154 -11.926 603 HB3 LYS 95 HB3 LYS 95 3.739 13.283 -13.332 604 HG3 LYS 95 HG3 LYS 95 4.192 13.633 -10.340 605 HD3 LYS 95 HD3 LYS 95 1.953 14.805 -10.559 606 HE3 LYS 95 HE3 LYS 95 2.765 16.891 -11.653 607 HZ1 LYS 95 HZ1 LYS 95 4.614 17.243 -10.172 608 HZ2 LYS 95 HZ2 LYS 95 4.766 15.657 -9.845 609 HZ3 LYS 95 HZ3 LYS 95 3.423 16.460 -9.366 610 H GLY 96 H GLY 96 3.679 10.178 -13.751 611 HA2 GLY 96 HA2 GLY 96 4.784 10.552 -16.366 612 HA3 GLY 96 HA3 GLY 96 5.373 9.055 -15.639 613 HA PRO 97 HA PRO 97 0.551 8.740 -15.656 614 HB3 PRO 97 HB3 PRO 97 -0.341 10.886 -15.794 615 HG3 PRO 97 HG3 PRO 97 0.584 12.533 -17.283 616 HD3 PRO 97 HD3 PRO 97 2.345 11.838 -15.866 617 H ASP 98 H ASP 98 -0.953 7.513 -17.061 618 HA ASP 98 HA ASP 98 -0.572 6.981 -19.808 619 HB3 ASP 98 HB3 ASP 98 1.448 5.902 -19.508 620 H GLU 99 H GLU 99 -2.883 7.276 -19.584 621 HA GLU 99 HA GLU 99 -4.340 5.005 -18.361 622 HB3 GLU 99 HB3 GLU 99 -5.044 6.986 -17.305 623 HG3 GLU 99 HG3 GLU 99 -6.319 8.636 -19.088 624 H ALA 100 H ALA 100 -4.152 3.536 -20.054 625 HA ALA 100 HA ALA 100 -6.180 3.954 -22.081 626 HB1 ALA 100 HB1 ALA 100 -4.321 4.776 -23.391 627 HB2 ALA 100 HB2 ALA 100 -3.320 3.363 -22.953 628 HB3 ALA 100 HB3 ALA 100 -4.759 3.171 -23.977 629 H LYS 101 H LYS 101 -6.882 2.385 -20.229 630 HA LYS 101 HA LYS 101 -6.242 -0.356 -21.007 631 HB3 LYS 101 HB3 LYS 101 -4.541 0.535 -19.425 632 HG3 LYS 101 HG3 LYS 101 -6.540 -0.103 -17.273 633 HD3 LYS 101 HD3 LYS 101 -5.162 1.436 -15.943 634 HE3 LYS 101 HE3 LYS 101 -3.460 -0.521 -17.548 635 HZ1 LYS 101 HZ1 LYS 101 -2.821 0.788 -14.971 636 HZ2 LYS 101 HZ2 LYS 101 -2.130 1.125 -16.420 637 HZ3 LYS 101 HZ3 LYS 101 -1.910 -0.353 -15.758 638 H ILE 102 H ILE 102 -7.626 -1.963 -20.052 639 HA ILE 102 HA ILE 102 -10.264 -0.977 -19.078 640 HB ILE 102 HB ILE 102 -9.940 -1.005 -21.576 641 HG13 ILE 102 HG13 ILE 102 -12.192 -1.230 -20.132 642 HG21 ILE 102 HG21 ILE 102 -10.164 -4.018 -21.385 643 HG22 ILE 102 HG22 ILE 102 -10.247 -3.052 -22.860 644 HG23 ILE 102 HG23 ILE 102 -8.756 -3.088 -21.937 645 HD11 ILE 102 HD11 ILE 102 -11.937 -1.505 -23.137 646 HD12 ILE 102 HD12 ILE 102 -13.506 -1.347 -22.312 647 HD13 ILE 102 HD13 ILE 102 -12.292 -0.055 -22.196 648 H LYS 103 H LYS 103 -7.945 -3.438 -19.318 649 HA LYS 103 HA LYS 103 -9.553 -5.461 -17.923 650 HB3 LYS 103 HB3 LYS 103 -7.201 -6.437 -17.346 651 HG3 LYS 103 HG3 LYS 103 -6.820 -7.065 -19.823 652 HD3 LYS 103 HD3 LYS 103 -9.476 -7.518 -18.413 653 HE3 LYS 103 HE3 LYS 103 -8.476 -8.967 -20.895 654 HZ1 LYS 103 HZ1 LYS 103 -11.055 -9.035 -19.448 655 HZ2 LYS 103 HZ2 LYS 103 -9.952 -10.240 -19.414 656 HZ3 LYS 103 HZ3 LYS 103 -10.727 -9.862 -20.829 657 H ALA 104 H ALA 104 -7.695 -2.668 -16.838 658 HA ALA 104 HA ALA 104 -8.333 -3.211 -14.016 659 HB1 ALA 104 HB1 ALA 104 -7.306 -0.638 -15.277 660 HB2 ALA 104 HB2 ALA 104 -7.202 -1.135 -13.582 661 HB3 ALA 104 HB3 ALA 104 -6.234 -1.975 -14.793 662 H LEU 105 H LEU 105 -9.175 -0.505 -13.407 663 HA LEU 105 HA LEU 105 -11.068 0.626 -12.996 664 HB3 LEU 105 HB3 LEU 105 -12.356 1.346 -15.093 665 HG LEU 105 HG LEU 105 -10.605 2.742 -14.010 666 HD11 LEU 105 HD11 LEU 105 -8.800 1.488 -16.134 667 HD12 LEU 105 HD12 LEU 105 -8.561 1.463 -14.363 668 HD13 LEU 105 HD13 LEU 105 -8.425 2.976 -15.236 669 HD21 LEU 105 HD21 LEU 105 -11.991 3.524 -15.890 670 HD22 LEU 105 HD22 LEU 105 -10.810 2.875 -17.049 671 HD23 LEU 105 HD23 LEU 105 -10.367 4.212 -15.960 672 H LEU 106 H LEU 106 -11.477 -1.747 -12.108 673 HA LEU 106 HA LEU 106 -14.321 -1.817 -12.246 674 HB3 LEU 106 HB3 LEU 106 -13.638 -4.612 -12.315 675 HG LEU 106 HG LEU 106 -15.539 -2.841 -13.586 676 HD11 LEU 106 HD11 LEU 106 -14.309 -4.761 -15.587 677 HD12 LEU 106 HD12 LEU 106 -14.012 -3.013 -15.588 678 HD13 LEU 106 HD13 LEU 106 -15.648 -3.629 -15.846 679 HD21 LEU 106 HD21 LEU 106 -16.136 -4.841 -12.348 680 HD22 LEU 106 HD22 LEU 106 -15.257 -5.853 -13.523 681 HD23 LEU 106 HD23 LEU 106 -16.733 -4.989 -14.010 682 H GLU 107 H GLU 107 -15.178 -3.313 -10.540 683 HA GLU 107 HA GLU 107 -13.364 -4.059 -8.376 684 HB3 GLU 107 HB3 GLU 107 -15.163 -2.963 -6.816 685 HG3 GLU 107 HG3 GLU 107 -12.636 -2.249 -7.277 686 H ARG 108 H ARG 108 -14.854 -5.310 -6.636 687 HA ARG 108 HA ARG 108 -17.159 -6.637 -7.836 688 HB3 ARG 108 HB3 ARG 108 -15.068 -8.616 -7.114 689 HG3 ARG 108 HG3 ARG 108 -16.741 -8.239 -9.634 690 HD3 ARG 108 HD3 ARG 108 -15.416 -10.765 -8.591 691 HE ARG 108 HE ARG 108 -17.060 -10.135 -10.940 692 HH11 ARG 108 HH11 ARG 108 -14.688 -12.436 -9.659 693 HH12 ARG 108 HH12 ARG 108 -14.918 -13.571 -10.955 694 HH21 ARG 108 HH21 ARG 108 -17.417 -11.588 -12.510 695 HH22 ARG 108 HH22 ARG 108 -16.500 -13.082 -12.662 696 H THR 109 H THR 109 -17.483 -8.867 -6.172 697 HA THR 109 HA THR 109 -16.968 -8.322 -3.490 698 HB THR 109 HB THR 109 -18.562 -6.539 -3.595 699 HG1 THR 109 HG1 THR 109 -20.039 -7.291 -2.167 700 HG21 THR 109 HG21 THR 109 -19.732 -7.015 -5.713 701 HG22 THR 109 HG22 THR 109 -20.879 -6.779 -4.397 702 HG23 THR 109 HG23 THR 109 -20.516 -8.424 -4.966 703 H GLY 110 H GLY 110 -17.530 -10.077 -2.339 704 HA2 GLY 110 HA2 GLY 110 -18.036 -12.589 -3.770 705 HA3 GLY 110 HA3 GLY 110 -17.612 -12.412 -2.069 706 H TYR 111 H TYR 111 -19.404 -11.063 -0.784 707 HA TYR 111 HA TYR 111 -22.122 -11.286 -1.687 708 HB3 TYR 111 HB3 TYR 111 -21.751 -13.587 -0.780 709 HD1 TYR 111 HD1 TYR 111 -19.421 -13.975 0.135 710 HD2 TYR 111 HD2 TYR 111 -22.501 -12.088 2.499 711 HE1 TYR 111 HE1 TYR 111 -18.075 -14.332 2.180 712 HE2 TYR 111 HE2 TYR 111 -21.159 -12.424 4.533 713 HH TYR 111 HH TYR 111 -17.946 -14.065 4.491 714 H THR 112 H THR 112 -23.529 -10.403 0.358 715 HA THR 112 HA THR 112 -22.029 -9.281 2.480 716 HB THR 112 HB THR 112 -21.746 -7.385 0.930 717 HG1 THR 112 HG1 THR 112 -22.643 -5.831 2.334 718 HG21 THR 112 HG21 THR 112 -23.665 -6.007 0.238 719 HG22 THR 112 HG22 THR 112 -24.787 -7.194 0.931 720 HG23 THR 112 HG23 THR 112 -23.776 -7.631 -0.462 721 H LEU 113 H LEU 113 -23.612 -8.387 4.132 722 HA LEU 113 HA LEU 113 -25.953 -10.152 4.308 723 HB3 LEU 113 HB3 LEU 113 -26.024 -9.159 6.611 724 HG LEU 113 HG LEU 113 -23.398 -10.441 5.759 725 HD11 LEU 113 HD11 LEU 113 -24.430 -10.002 8.588 726 HD12 LEU 113 HD12 LEU 113 -23.088 -9.122 7.820 727 HD13 LEU 113 HD13 LEU 113 -22.949 -10.862 8.090 728 HD21 LEU 113 HD21 LEU 113 -24.349 -12.453 6.858 729 HD22 LEU 113 HD22 LEU 113 -25.349 -11.929 5.503 730 HD23 LEU 113 HD23 LEU 113 -25.860 -11.577 7.171 731 H ASP 114 H ASP 114 -26.504 -8.741 2.315 732 HA ASP 114 HA ASP 114 -28.728 -6.991 3.161 733 HB3 ASP 114 HB3 ASP 114 -26.631 -5.935 1.230 734 H VAL 115 H VAL 115 -27.515 -9.402 1.094 735 HA VAL 115 HA VAL 115 -29.757 -9.067 -0.794 736 HB VAL 115 HB VAL 115 -28.007 -7.870 -1.859 737 HG11 VAL 115 HG11 VAL 115 -26.125 -10.147 -1.180 738 HG12 VAL 115 HG12 VAL 115 -25.753 -8.886 -2.370 739 HG13 VAL 115 HG13 VAL 115 -26.029 -8.458 -0.675 740 HG21 VAL 115 HG21 VAL 115 -29.265 -9.470 -3.292 741 HG22 VAL 115 HG22 VAL 115 -27.661 -9.057 -3.911 742 HG23 VAL 115 HG23 VAL 115 -27.925 -10.626 -3.133 743 H THR 116 H THR 116 -30.436 -11.023 -1.749 744 HA THR 116 HA THR 116 -30.001 -13.535 -0.472 745 HB THR 116 HB THR 116 -31.407 -14.203 -2.528 746 HG1 THR 116 HG1 THR 116 -30.877 -12.447 -3.807 747 HG21 THR 116 HG21 THR 116 -32.424 -13.766 -0.313 748 HG22 THR 116 HG22 THR 116 -33.470 -13.203 -1.633 749 HG23 THR 116 HG23 THR 116 -32.525 -12.027 -0.698 750 H THR 117 H THR 117 -27.858 -13.827 -0.588 751 HA THR 117 HA THR 117 -26.575 -14.307 -3.236 752 HB THR 117 HB THR 117 -24.464 -14.226 -1.572 753 HG1 THR 117 HG1 THR 117 -26.306 -12.429 -0.360 754 HG21 THR 117 HG21 THR 117 -25.961 -11.853 -2.739 755 HG22 THR 117 HG22 THR 117 -24.665 -12.803 -3.491 756 HG23 THR 117 HG23 THR 117 -24.301 -11.776 -2.104 757 H GLY 118 H GLY 118 -28.271 -16.076 -1.110 758 HA2 GLY 118 HA2 GLY 118 -27.175 -18.474 -2.155 759 HA3 GLY 118 HA3 GLY 118 -27.471 -18.452 -0.383 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 22.067 -10.309 -15.013 2 HA2 GLY 1 HA2 GLY 1 22.495 -10.621 -12.602 3 HA3 GLY 1 HA3 GLY 1 23.188 -9.127 -13.240 4 H SER 2 H SER 2 23.020 -7.686 -11.659 5 HA SER 2 HA SER 2 20.464 -6.934 -10.446 6 HB3 SER 2 HB3 SER 2 21.365 -8.559 -8.901 7 HG SER 2 HG SER 2 23.807 -7.701 -8.376 8 H GLU 3 H GLU 3 21.065 -5.040 -8.969 9 HA GLU 3 HA GLU 3 22.711 -2.914 -9.859 10 HB3 GLU 3 HB3 GLU 3 20.370 -3.627 -11.593 11 HG3 GLU 3 HG3 GLU 3 19.557 -1.534 -10.911 12 H ASN 4 H ASN 4 19.295 -3.733 -9.032 13 HA ASN 4 HA ASN 4 18.770 -1.461 -7.464 14 HB3 ASN 4 HB3 ASN 4 17.668 -4.281 -7.351 15 HD21 ASN 4 HD21 ASN 4 17.568 -4.698 -5.078 16 HD22 ASN 4 HD22 ASN 4 16.626 -3.649 -4.031 17 H PHE 5 H PHE 5 20.544 -4.422 -6.588 18 HA PHE 5 HA PHE 5 20.599 -4.038 -3.787 19 HB3 PHE 5 HB3 PHE 5 22.738 -5.170 -5.632 20 HD1 PHE 5 HD1 PHE 5 21.521 -5.115 -2.019 21 HD2 PHE 5 HD2 PHE 5 24.758 -5.973 -4.749 22 HE1 PHE 5 HE1 PHE 5 22.942 -5.782 -0.130 23 HE2 PHE 5 HE2 PHE 5 26.191 -6.586 -2.809 24 HZ PHE 5 HZ PHE 5 25.273 -6.558 -0.514 25 H GLN 6 H GLN 6 22.326 -2.325 -6.307 26 HA GLN 6 HA GLN 6 24.074 -0.912 -4.352 27 HB3 GLN 6 HB3 GLN 6 23.855 -0.630 -7.387 28 HG3 GLN 6 HG3 GLN 6 25.115 1.165 -6.101 29 HE21 GLN 6 HE21 GLN 6 25.823 1.202 -3.996 30 HE22 GLN 6 HE22 GLN 6 27.074 0.170 -3.334 31 H THR 7 H THR 7 21.250 -0.331 -6.528 32 HA THR 7 HA THR 7 21.462 2.458 -6.503 33 HB THR 7 HB THR 7 19.905 0.778 -7.827 34 HG1 THR 7 HG1 THR 7 18.586 2.448 -8.384 35 HG21 THR 7 HG21 THR 7 18.428 0.130 -5.857 36 HG22 THR 7 HG22 THR 7 17.547 0.832 -7.208 37 HG23 THR 7 HG23 THR 7 17.876 1.803 -5.773 38 H LEU 8 H LEU 8 19.987 0.343 -4.126 39 HA LEU 8 HA LEU 8 18.657 2.216 -2.473 40 HB3 LEU 8 HB3 LEU 8 18.853 0.377 -0.732 41 HG LEU 8 HG LEU 8 18.106 -0.448 -3.578 42 HD11 LEU 8 HD11 LEU 8 17.879 -2.024 -1.014 43 HD12 LEU 8 HD12 LEU 8 18.879 -2.421 -2.438 44 HD13 LEU 8 HD13 LEU 8 17.123 -2.446 -2.575 45 HD21 LEU 8 HD21 LEU 8 15.818 -0.327 -2.720 46 HD22 LEU 8 HD22 LEU 8 16.621 1.222 -2.513 47 HD23 LEU 8 HD23 LEU 8 16.410 0.146 -1.112 48 H LEU 9 H LEU 9 22.062 1.111 -2.499 49 HA LEU 9 HA LEU 9 22.828 2.207 0.024 50 HB3 LEU 9 HB3 LEU 9 25.133 2.002 -1.321 51 HG LEU 9 HG LEU 9 25.245 -0.415 -1.136 52 HD11 LEU 9 HD11 LEU 9 25.808 1.115 0.768 53 HD12 LEU 9 HD12 LEU 9 25.267 -0.486 1.259 54 HD13 LEU 9 HD13 LEU 9 24.151 0.890 1.390 55 HD21 LEU 9 HD21 LEU 9 23.462 -1.748 -0.271 56 HD22 LEU 9 HD22 LEU 9 22.840 -0.766 -1.601 57 HD23 LEU 9 HD23 LEU 9 22.473 -0.291 0.066 58 H ASP 10 H ASP 10 22.636 3.494 -3.256 59 HA ASP 10 HA ASP 10 23.710 6.115 -2.484 60 HB3 ASP 10 HB3 ASP 10 22.181 5.503 -5.023 61 H ALA 11 H ALA 11 20.672 4.687 -2.111 62 HA ALA 11 HA ALA 11 19.126 7.153 -2.573 63 HB1 ALA 11 HB1 ALA 11 18.373 5.008 -3.492 64 HB2 ALA 11 HB2 ALA 11 18.287 4.337 -1.859 65 HB3 ALA 11 HB3 ALA 11 17.204 5.662 -2.323 66 H GLY 12 H GLY 12 20.977 6.287 -0.031 67 HA2 GLY 12 HA2 GLY 12 20.822 7.550 1.998 68 HA3 GLY 12 HA3 GLY 12 19.079 7.309 2.015 69 H LEU 13 H LEU 13 20.036 4.295 1.095 70 HA LEU 13 HA LEU 13 19.423 3.465 3.853 71 HB3 LEU 13 HB3 LEU 13 18.815 1.322 2.799 72 HG LEU 13 HG LEU 13 16.834 1.844 1.921 73 HD11 LEU 13 HD11 LEU 13 15.846 3.752 2.923 74 HD12 LEU 13 HD12 LEU 13 17.334 4.705 2.836 75 HD13 LEU 13 HD13 LEU 13 17.198 3.371 3.984 76 HD21 LEU 13 HD21 LEU 13 16.250 3.640 0.394 77 HD22 LEU 13 HD22 LEU 13 17.596 2.667 -0.225 78 HD23 LEU 13 HD23 LEU 13 17.905 4.269 0.479 79 HA PRO 14 HA PRO 14 23.328 1.456 4.546 80 HB3 PRO 14 HB3 PRO 14 22.595 1.346 6.766 81 HG3 PRO 14 HG3 PRO 14 20.382 0.597 7.304 82 HD3 PRO 14 HD3 PRO 14 20.081 2.508 5.886 83 H GLN 15 H GLN 15 24.400 -0.639 4.286 84 HA GLN 15 HA GLN 15 23.498 -2.075 2.001 85 HB3 GLN 15 HB3 GLN 15 25.517 -2.963 4.086 86 HG3 GLN 15 HG3 GLN 15 24.672 -4.069 1.490 87 HE21 GLN 15 HE21 GLN 15 25.882 -3.771 -0.437 88 HE22 GLN 15 HE22 GLN 15 27.608 -3.893 -0.459 89 H LYS 16 H LYS 16 23.383 -2.959 5.512 90 HA LYS 16 HA LYS 16 22.430 -5.526 5.225 91 HB3 LYS 16 HB3 LYS 16 23.105 -4.787 7.388 92 HG3 LYS 16 HG3 LYS 16 20.937 -2.650 7.155 93 HD3 LYS 16 HD3 LYS 16 22.543 -3.552 9.541 94 HE3 LYS 16 HE3 LYS 16 21.068 -1.081 9.962 95 HZ1 LYS 16 HZ1 LYS 16 22.899 -1.681 11.301 96 HZ2 LYS 16 HZ2 LYS 16 23.269 -0.272 10.524 97 HZ3 LYS 16 HZ3 LYS 16 23.956 -1.711 10.033 98 H VAL 17 H VAL 17 20.514 -2.560 4.853 99 HA VAL 17 HA VAL 17 17.955 -3.947 4.929 100 HB VAL 17 HB VAL 17 18.921 -1.197 4.037 101 HG11 VAL 17 HG11 VAL 17 17.121 -1.601 2.512 102 HG12 VAL 17 HG12 VAL 17 16.093 -2.221 3.835 103 HG13 VAL 17 HG13 VAL 17 16.582 -0.517 3.791 104 HG21 VAL 17 HG21 VAL 17 17.064 -2.031 6.276 105 HG22 VAL 17 HG22 VAL 17 18.770 -1.726 6.500 106 HG23 VAL 17 HG23 VAL 17 17.707 -0.418 5.969 107 H ALA 18 H ALA 18 20.212 -2.738 2.377 108 HA ALA 18 HA ALA 18 18.690 -3.599 0.156 109 HB1 ALA 18 HB1 ALA 18 20.725 -3.200 -1.110 110 HB2 ALA 18 HB2 ALA 18 20.579 -1.937 0.120 111 HB3 ALA 18 HB3 ALA 18 21.715 -3.281 0.357 112 H GLU 19 H GLU 19 21.146 -5.284 2.087 113 HA GLU 19 HA GLU 19 21.432 -7.663 0.605 114 HB3 GLU 19 HB3 GLU 19 21.969 -8.571 2.987 115 HG3 GLU 19 HG3 GLU 19 23.493 -6.044 2.239 116 H LYS 20 H LYS 20 18.611 -6.616 2.273 117 HA LYS 20 HA LYS 20 17.480 -9.373 2.150 118 HB3 LYS 20 HB3 LYS 20 15.749 -8.306 3.778 119 HG3 LYS 20 HG3 LYS 20 17.466 -10.093 4.284 120 HD3 LYS 20 HD3 LYS 20 18.920 -7.932 5.868 121 HE3 LYS 20 HE3 LYS 20 20.671 -9.688 5.949 122 HZ1 LYS 20 HZ1 LYS 20 18.029 -10.659 6.884 123 HZ2 LYS 20 HZ2 LYS 20 19.104 -9.712 7.729 124 HZ3 LYS 20 HZ3 LYS 20 19.502 -11.226 7.375 125 H LEU 21 H LEU 21 17.594 -6.736 0.281 126 HA LEU 21 HA LEU 21 14.750 -6.899 -0.656 127 HB3 LEU 21 HB3 LEU 21 16.728 -4.586 -0.582 128 HG LEU 21 HG LEU 21 15.444 -4.155 -2.530 129 HD11 LEU 21 HD11 LEU 21 12.954 -4.947 -0.960 130 HD12 LEU 21 HD12 LEU 21 13.534 -5.587 -2.503 131 HD13 LEU 21 HD13 LEU 21 12.903 -3.959 -2.390 132 HD21 LEU 21 HD21 LEU 21 15.709 -2.354 -0.742 133 HD22 LEU 21 HD22 LEU 21 14.067 -2.683 -0.265 134 HD23 LEU 21 HD23 LEU 21 14.386 -2.091 -1.902 135 H ASP 22 H ASP 22 18.112 -6.956 -1.425 136 HA ASP 22 HA ASP 22 18.356 -6.716 -4.114 137 HB3 ASP 22 HB3 ASP 22 20.185 -7.209 -2.490 138 H GLU 23 H GLU 23 17.451 -9.839 -2.441 139 HA GLU 23 HA GLU 23 17.424 -11.506 -4.517 140 HB3 GLU 23 HB3 GLU 23 15.698 -11.321 -2.003 141 HG3 GLU 23 HG3 GLU 23 15.579 -13.514 -3.307 142 H ILE 24 H ILE 24 14.850 -9.310 -3.435 143 HA ILE 24 HA ILE 24 12.622 -10.519 -4.780 144 HB ILE 24 HB ILE 24 13.180 -7.667 -3.847 145 HG13 ILE 24 HG13 ILE 24 12.990 -9.638 -2.124 146 HG21 ILE 24 HG21 ILE 24 10.503 -8.851 -4.698 147 HG22 ILE 24 HG22 ILE 24 10.782 -7.231 -4.017 148 HG23 ILE 24 HG23 ILE 24 11.432 -7.631 -5.593 149 HD11 ILE 24 HD11 ILE 24 12.871 -7.345 -1.407 150 HD12 ILE 24 HD12 ILE 24 11.164 -7.217 -1.864 151 HD13 ILE 24 HD13 ILE 24 11.674 -8.274 -0.546 152 H TYR 25 H TYR 25 15.079 -8.073 -5.703 153 HA TYR 25 HA TYR 25 13.856 -7.638 -8.314 154 HB3 TYR 25 HB3 TYR 25 15.928 -6.361 -8.797 155 HD1 TYR 25 HD1 TYR 25 15.131 -5.962 -5.207 156 HD2 TYR 25 HD2 TYR 25 14.297 -4.648 -9.215 157 HE1 TYR 25 HE1 TYR 25 13.760 -4.152 -4.314 158 HE2 TYR 25 HE2 TYR 25 12.833 -2.837 -8.301 159 HH TYR 25 HH TYR 25 12.218 -2.413 -4.794 160 H VAL 26 H VAL 26 15.880 -10.152 -7.076 161 HA VAL 26 HA VAL 26 17.027 -10.722 -9.754 162 HB VAL 26 HB VAL 26 17.512 -11.947 -7.009 163 HG11 VAL 26 HG11 VAL 26 19.441 -13.060 -8.077 164 HG12 VAL 26 HG12 VAL 26 17.918 -13.630 -8.774 165 HG13 VAL 26 HG13 VAL 26 18.942 -12.454 -9.660 166 HG21 VAL 26 HG21 VAL 26 19.717 -10.851 -7.208 167 HG22 VAL 26 HG22 VAL 26 19.243 -10.130 -8.767 168 HG23 VAL 26 HG23 VAL 26 18.442 -9.649 -7.259 169 H ALA 27 H ALA 27 14.676 -12.039 -7.365 170 HA ALA 27 HA ALA 27 14.430 -14.545 -8.766 171 HB1 ALA 27 HB1 ALA 27 14.296 -14.310 -6.305 172 HB2 ALA 27 HB2 ALA 27 12.803 -13.359 -6.482 173 HB3 ALA 27 HB3 ALA 27 12.840 -15.066 -6.970 174 H GLY 28 H GLY 28 13.523 -11.952 -10.192 175 HA2 GLY 28 HA2 GLY 28 11.938 -11.361 -11.720 176 HA3 GLY 28 HA3 GLY 28 11.345 -13.025 -11.618 177 H LEU 29 H LEU 29 11.285 -11.263 -8.598 178 HA LEU 29 HA LEU 29 8.402 -11.664 -8.457 179 HB3 LEU 29 HB3 LEU 29 8.837 -10.477 -6.156 180 HG LEU 29 HG LEU 29 10.067 -13.167 -6.860 181 HD11 LEU 29 HD11 LEU 29 11.314 -12.289 -4.943 182 HD12 LEU 29 HD12 LEU 29 10.230 -13.574 -4.419 183 HD13 LEU 29 HD13 LEU 29 9.795 -11.885 -4.103 184 HD21 LEU 29 HD21 LEU 29 7.581 -13.026 -6.930 185 HD22 LEU 29 HD22 LEU 29 7.573 -12.356 -5.281 186 HD23 LEU 29 HD23 LEU 29 8.134 -14.011 -5.570 187 H VAL 30 H VAL 30 10.468 -9.031 -9.454 188 HA VAL 30 HA VAL 30 8.054 -7.294 -9.453 189 HB VAL 30 HB VAL 30 9.643 -5.363 -9.008 190 HG11 VAL 30 HG11 VAL 30 9.099 -7.296 -6.690 191 HG12 VAL 30 HG12 VAL 30 9.385 -5.545 -6.547 192 HG13 VAL 30 HG13 VAL 30 7.933 -6.147 -7.365 193 HG21 VAL 30 HG21 VAL 30 11.798 -6.469 -9.216 194 HG22 VAL 30 HG22 VAL 30 11.613 -5.778 -7.595 195 HG23 VAL 30 HG23 VAL 30 11.429 -7.520 -7.837 196 H ALA 31 H ALA 31 8.077 -5.579 -10.968 197 HA ALA 31 HA ALA 31 9.688 -6.045 -13.306 198 HB1 ALA 31 HB1 ALA 31 7.438 -4.074 -12.734 199 HB2 ALA 31 HB2 ALA 31 8.081 -4.441 -14.350 200 HB3 ALA 31 HB3 ALA 31 7.240 -5.703 -13.437 201 H HIS 32 H HIS 32 11.190 -4.951 -11.104 202 HA HIS 32 HA HIS 32 12.869 -3.540 -10.681 203 HB3 HIS 32 HB3 HIS 32 12.572 -2.615 -13.547 204 HD1 HIS 32 HD1 HIS 32 14.421 -1.043 -14.418 205 HD2 HIS 32 HD2 HIS 32 15.113 -2.562 -10.541 206 HE1 HIS 32 HE1 HIS 32 16.556 0.058 -13.581 207 H SER 33 H SER 33 10.158 -1.766 -12.234 208 HA SER 33 HA SER 33 10.306 0.038 -9.899 209 HB3 SER 33 HB3 SER 33 9.280 1.259 -12.434 210 HG SER 33 HG SER 33 10.426 3.004 -11.371 211 H ASP 34 H ASP 34 9.082 -1.947 -9.344 212 HA ASP 34 HA ASP 34 6.261 -1.899 -10.187 213 HB3 ASP 34 HB3 ASP 34 7.094 -3.882 -8.154 214 H LEU 35 H LEU 35 8.020 -0.175 -8.031 215 HA LEU 35 HA LEU 35 6.024 -0.055 -5.881 216 HB3 LEU 35 HB3 LEU 35 7.904 1.115 -4.748 217 HG LEU 35 HG LEU 35 9.361 -0.669 -4.337 218 HD11 LEU 35 HD11 LEU 35 7.829 -2.393 -3.545 219 HD12 LEU 35 HD12 LEU 35 6.619 -1.935 -4.752 220 HD13 LEU 35 HD13 LEU 35 7.007 -0.821 -3.423 221 HD21 LEU 35 HD21 LEU 35 9.601 -2.746 -5.384 222 HD22 LEU 35 HD22 LEU 35 9.737 -1.522 -6.654 223 HD23 LEU 35 HD23 LEU 35 8.236 -2.474 -6.462 224 H ASP 36 H ASP 36 5.533 2.171 -5.124 225 HA ASP 36 HA ASP 36 5.198 4.011 -7.435 226 HB3 ASP 36 HB3 ASP 36 3.751 5.259 -5.729 227 H GLU 37 H GLU 37 5.520 6.299 -6.944 228 HA GLU 37 HA GLU 37 8.082 7.052 -5.911 229 HB3 GLU 37 HB3 GLU 37 5.528 8.593 -6.527 230 HG3 GLU 37 HG3 GLU 37 8.382 9.636 -6.302 231 H ARG 38 H ARG 38 4.821 7.105 -4.621 232 HA ARG 38 HA ARG 38 5.215 8.220 -2.042 233 HB3 ARG 38 HB3 ARG 38 3.165 6.845 -1.442 234 HG3 ARG 38 HG3 ARG 38 1.722 7.287 -3.622 235 HD3 ARG 38 HD3 ARG 38 2.782 9.484 -1.850 236 HE ARG 38 HE ARG 38 1.324 9.913 -4.129 237 HH11 ARG 38 HH11 ARG 38 0.504 10.248 -0.718 238 HH12 ARG 38 HH12 ARG 38 -0.664 11.496 -0.950 239 HH21 ARG 38 HH21 ARG 38 -0.086 11.559 -4.483 240 HH22 ARG 38 HH22 ARG 38 -0.995 12.347 -3.234 241 H ALA 39 H ALA 39 5.550 4.805 -3.199 242 HA ALA 39 HA ALA 39 6.014 3.732 -0.598 243 HB1 ALA 39 HB1 ALA 39 6.796 2.627 -3.345 244 HB2 ALA 39 HB2 ALA 39 6.842 1.730 -1.837 245 HB3 ALA 39 HB3 ALA 39 5.284 2.273 -2.468 246 H ILE 40 H ILE 40 8.169 4.969 -3.182 247 HA ILE 40 HA ILE 40 10.609 4.104 -2.047 248 HB ILE 40 HB ILE 40 10.312 6.605 -3.705 249 HG13 ILE 40 HG13 ILE 40 9.417 5.138 -5.168 250 HG21 ILE 40 HG21 ILE 40 12.684 4.730 -3.214 251 HG22 ILE 40 HG22 ILE 40 12.691 6.233 -4.171 252 HG23 ILE 40 HG23 ILE 40 12.506 6.291 -2.427 253 HD11 ILE 40 HD11 ILE 40 12.203 4.026 -5.383 254 HD12 ILE 40 HD12 ILE 40 10.932 4.002 -6.626 255 HD13 ILE 40 HD13 ILE 40 11.650 5.550 -6.152 256 H GLU 41 H GLU 41 8.757 7.221 -1.550 257 HA GLU 41 HA GLU 41 10.740 8.465 -0.004 258 HB3 GLU 41 HB3 GLU 41 7.734 8.900 0.341 259 HG3 GLU 41 HG3 GLU 41 10.228 10.660 0.278 260 H ALA 42 H ALA 42 7.981 6.419 0.946 261 HA ALA 42 HA ALA 42 8.565 6.644 3.802 262 HB1 ALA 42 HB1 ALA 42 6.289 6.212 3.008 263 HB2 ALA 42 HB2 ALA 42 6.821 4.695 2.252 264 HB3 ALA 42 HB3 ALA 42 6.857 4.883 4.026 265 H LEU 43 H LEU 43 10.009 4.901 1.276 266 HA LEU 43 HA LEU 43 11.234 2.898 3.061 267 HB3 LEU 43 HB3 LEU 43 11.893 1.802 0.862 268 HG LEU 43 HG LEU 43 8.971 2.223 1.472 269 HD11 LEU 43 HD11 LEU 43 10.141 0.181 -0.434 270 HD12 LEU 43 HD12 LEU 43 9.365 1.681 -0.940 271 HD13 LEU 43 HD13 LEU 43 8.425 0.497 -0.046 272 HD21 LEU 43 HD21 LEU 43 10.913 -0.026 2.111 273 HD22 LEU 43 HD22 LEU 43 9.155 -0.133 2.319 274 HD23 LEU 43 HD23 LEU 43 10.091 1.036 3.261 275 H LYS 44 H LYS 44 11.917 5.940 2.293 276 HA LYS 44 HA LYS 44 14.852 5.489 2.400 277 HB3 LYS 44 HB3 LYS 44 14.967 7.953 2.475 278 HG3 LYS 44 HG3 LYS 44 13.512 7.198 -0.066 279 HD3 LYS 44 HD3 LYS 44 15.937 8.925 0.623 280 HE3 LYS 44 HE3 LYS 44 16.013 7.657 -1.590 281 HZ1 LYS 44 HZ1 LYS 44 14.260 9.801 -2.581 282 HZ2 LYS 44 HZ2 LYS 44 13.587 8.390 -2.149 283 HZ3 LYS 44 HZ3 LYS 44 14.730 8.416 -3.330 284 H GLU 45 H GLU 45 11.994 6.868 4.120 285 HA GLU 45 HA GLU 45 13.698 7.644 6.315 286 HB3 GLU 45 HB3 GLU 45 11.689 8.772 7.131 287 HG3 GLU 45 HG3 GLU 45 11.743 9.257 4.136 288 H PHE 46 H PHE 46 14.004 4.995 6.614 289 HA PHE 46 HA PHE 46 12.378 4.411 9.050 290 HB3 PHE 46 HB3 PHE 46 11.660 2.786 7.561 291 HD1 PHE 46 HD1 PHE 46 15.438 2.362 7.413 292 HD2 PHE 46 HD2 PHE 46 11.644 2.109 5.352 293 HE1 PHE 46 HE1 PHE 46 16.598 1.681 5.379 294 HE2 PHE 46 HE2 PHE 46 12.831 1.362 3.311 295 HZ PHE 46 HZ PHE 46 15.317 1.220 3.305 296 H ASN 47 H ASN 47 13.673 2.725 10.381 297 HA ASN 47 HA ASN 47 16.425 3.707 10.924 298 HB3 ASN 47 HB3 ASN 47 14.790 3.712 12.821 299 HD21 ASN 47 HD21 ASN 47 15.474 0.492 13.887 300 HD22 ASN 47 HD22 ASN 47 13.880 -0.140 13.512 301 H GLU 48 H GLU 48 17.629 1.715 11.992 302 HA GLU 48 HA GLU 48 18.586 0.003 10.126 303 HB3 GLU 48 HB3 GLU 48 18.398 -0.241 13.137 304 HG3 GLU 48 HG3 GLU 48 19.814 -2.065 11.173 305 H ASP 49 H ASP 49 15.716 -0.811 12.175 306 HA ASP 49 HA ASP 49 15.674 -3.475 10.795 307 HB3 ASP 49 HB3 ASP 49 14.815 -2.741 13.548 308 H GLY 50 H GLY 50 13.987 -0.488 11.059 309 HA2 GLY 50 HA2 GLY 50 11.342 -1.267 10.874 310 HA3 GLY 50 HA3 GLY 50 11.977 0.217 10.157 311 H ALA 51 H ALA 51 13.643 -0.741 8.183 312 HA ALA 51 HA ALA 51 11.943 -1.676 6.094 313 HB1 ALA 51 HB1 ALA 51 14.977 -1.841 6.243 314 HB2 ALA 51 HB2 ALA 51 13.969 -1.763 4.781 315 HB3 ALA 51 HB3 ALA 51 14.078 -0.372 5.883 316 H LEU 52 H LEU 52 14.332 -3.430 8.165 317 HA LEU 52 HA LEU 52 14.399 -5.858 6.735 318 HB3 LEU 52 HB3 LEU 52 14.964 -6.767 9.159 319 HG LEU 52 HG LEU 52 17.168 -5.673 9.326 320 HD11 LEU 52 HD11 LEU 52 16.587 -6.682 6.530 321 HD12 LEU 52 HD12 LEU 52 16.872 -7.701 7.970 322 HD13 LEU 52 HD13 LEU 52 18.151 -6.628 7.382 323 HD21 LEU 52 HD21 LEU 52 16.429 -3.470 8.282 324 HD22 LEU 52 HD22 LEU 52 16.724 -4.261 6.721 325 HD23 LEU 52 HD23 LEU 52 18.039 -4.063 7.939 326 H ALA 53 H ALA 53 12.102 -4.766 9.230 327 HA ALA 53 HA ALA 53 10.846 -7.324 9.605 328 HB1 ALA 53 HB1 ALA 53 9.051 -5.919 10.666 329 HB2 ALA 53 HB2 ALA 53 10.669 -5.445 11.228 330 HB3 ALA 53 HB3 ALA 53 9.827 -4.454 10.025 331 H VAL 54 H VAL 54 10.323 -4.616 7.471 332 HA VAL 54 HA VAL 54 7.696 -5.456 6.556 333 HB VAL 54 HB VAL 54 9.663 -3.177 6.004 334 HG11 VAL 54 HG11 VAL 54 8.023 -1.978 4.751 335 HG12 VAL 54 HG12 VAL 54 8.341 -3.531 3.959 336 HG13 VAL 54 HG13 VAL 54 6.857 -3.315 4.917 337 HG21 VAL 54 HG21 VAL 54 8.485 -3.150 8.205 338 HG22 VAL 54 HG22 VAL 54 8.027 -1.797 7.174 339 HG23 VAL 54 HG23 VAL 54 6.931 -3.191 7.358 340 H LEU 55 H LEU 55 10.994 -5.299 5.252 341 HA LEU 55 HA LEU 55 10.552 -6.157 2.588 342 HB3 LEU 55 HB3 LEU 55 12.925 -7.127 2.885 343 HG LEU 55 HG LEU 55 12.479 -4.210 3.668 344 HD11 LEU 55 HD11 LEU 55 14.866 -3.927 3.015 345 HD12 LEU 55 HD12 LEU 55 15.023 -5.682 2.862 346 HD13 LEU 55 HD13 LEU 55 14.686 -4.958 4.449 347 HD21 LEU 55 HD21 LEU 55 13.162 -5.554 1.053 348 HD22 LEU 55 HD22 LEU 55 13.127 -3.778 1.336 349 HD23 LEU 55 HD23 LEU 55 11.662 -4.687 1.411 350 H GLN 56 H GLN 56 10.816 -7.980 5.648 351 HA GLN 56 HA GLN 56 11.132 -10.501 4.484 352 HB3 GLN 56 HB3 GLN 56 9.523 -10.108 7.031 353 HG3 GLN 56 HG3 GLN 56 10.625 -11.964 7.892 354 HE21 GLN 56 HE21 GLN 56 11.588 -12.276 4.445 355 HE22 GLN 56 HE22 GLN 56 10.669 -13.733 4.146 356 H GLN 57 H GLN 57 8.163 -9.065 5.773 357 HA GLN 57 HA GLN 57 6.377 -11.039 4.834 358 HB3 GLN 57 HB3 GLN 57 4.685 -8.994 5.101 359 HG3 GLN 57 HG3 GLN 57 5.201 -9.078 7.645 360 HE21 GLN 57 HE21 GLN 57 4.521 -11.552 4.964 361 HE22 GLN 57 HE22 GLN 57 3.278 -12.309 5.862 362 H PHE 58 H PHE 58 7.574 -8.117 3.172 363 HA PHE 58 HA PHE 58 5.692 -8.288 1.025 364 HB3 PHE 58 HB3 PHE 58 8.531 -7.215 1.051 365 HD1 PHE 58 HD1 PHE 58 5.399 -5.579 -0.103 366 HD2 PHE 58 HD2 PHE 58 8.952 -7.683 -1.356 367 HE1 PHE 58 HE1 PHE 58 5.103 -4.733 -2.410 368 HE2 PHE 58 HE2 PHE 58 8.601 -6.873 -3.678 369 HZ PHE 58 HZ PHE 58 6.705 -5.372 -4.197 370 H LYS 59 H LYS 59 8.913 -9.876 1.467 371 HA LYS 59 HA LYS 59 8.890 -11.323 -1.047 372 HB3 LYS 59 HB3 LYS 59 10.409 -12.924 0.141 373 HG3 LYS 59 HG3 LYS 59 10.872 -9.974 0.388 374 HD3 LYS 59 HD3 LYS 59 12.208 -11.518 2.232 375 HE3 LYS 59 HE3 LYS 59 13.782 -11.365 -0.367 376 HZ1 LYS 59 HZ1 LYS 59 14.937 -11.484 2.348 377 HZ2 LYS 59 HZ2 LYS 59 15.036 -10.207 1.322 378 HZ3 LYS 59 HZ3 LYS 59 15.797 -11.597 0.930 379 H ASP 60 H ASP 60 7.575 -11.981 2.200 380 HA ASP 60 HA ASP 60 6.553 -14.608 1.394 381 HB3 ASP 60 HB3 ASP 60 6.894 -13.167 4.056 382 H SER 61 H SER 61 5.119 -12.923 -0.015 383 HA SER 61 HA SER 61 2.593 -12.725 1.459 384 HB3 SER 61 HB3 SER 61 3.327 -10.465 1.423 385 HG SER 61 HG SER 61 4.814 -10.449 -0.340 386 H ASP 62 H ASP 62 0.713 -12.560 0.043 387 HA ASP 62 HA ASP 62 0.672 -14.527 -2.097 388 HB3 ASP 62 HB3 ASP 62 -1.429 -12.740 -0.851 389 H LEU 63 H LEU 63 2.114 -13.568 -3.554 390 HA LEU 63 HA LEU 63 1.127 -11.180 -5.018 391 HB3 LEU 63 HB3 LEU 63 3.372 -11.120 -6.017 392 HG LEU 63 HG LEU 63 3.534 -11.415 -2.986 393 HD11 LEU 63 HD11 LEU 63 5.729 -11.430 -4.058 394 HD12 LEU 63 HD12 LEU 63 5.465 -9.951 -3.125 395 HD13 LEU 63 HD13 LEU 63 5.353 -9.908 -4.907 396 HD21 LEU 63 HD21 LEU 63 2.953 -8.950 -4.682 397 HD22 LEU 63 HD22 LEU 63 3.280 -8.944 -2.929 398 HD23 LEU 63 HD23 LEU 63 1.836 -9.734 -3.529 399 H SER 64 H SER 64 -0.223 -13.839 -5.158 400 HA SER 64 HA SER 64 0.399 -14.816 -7.835 401 HB3 SER 64 HB3 SER 64 -2.287 -15.420 -6.689 402 HG SER 64 HG SER 64 -1.664 -17.464 -7.331 403 H HIS 65 H HIS 65 -2.539 -13.107 -6.488 404 HA HIS 65 HA HIS 65 -3.085 -12.214 -9.274 405 HB3 HIS 65 HB3 HIS 65 -5.133 -12.728 -7.133 406 HD1 HIS 65 HD1 HIS 65 -7.234 -11.659 -8.144 407 HD2 HIS 65 HD2 HIS 65 -4.751 -13.540 -10.976 408 HE1 HIS 65 HE1 HIS 65 -8.462 -11.513 -10.393 409 H VAL 66 H VAL 66 -1.420 -10.860 -7.428 410 HA VAL 66 HA VAL 66 -2.738 -8.586 -6.255 411 HB VAL 66 HB VAL 66 -0.649 -9.276 -5.351 412 HG11 VAL 66 HG11 VAL 66 0.377 -10.413 -7.327 413 HG12 VAL 66 HG12 VAL 66 0.710 -8.824 -8.032 414 HG13 VAL 66 HG13 VAL 66 1.483 -9.292 -6.517 415 HG21 VAL 66 HG21 VAL 66 -1.055 -6.817 -5.446 416 HG22 VAL 66 HG22 VAL 66 0.673 -7.246 -5.447 417 HG23 VAL 66 HG23 VAL 66 -0.109 -6.745 -6.950 418 H GLN 67 H GLN 67 -3.507 -6.852 -7.330 419 HA GLN 67 HA GLN 67 -3.106 -6.579 -10.218 420 HB3 GLN 67 HB3 GLN 67 -4.380 -4.560 -8.328 421 HG3 GLN 67 HG3 GLN 67 -4.009 -4.550 -11.122 422 HE21 GLN 67 HE21 GLN 67 -7.316 -4.618 -9.769 423 HE22 GLN 67 HE22 GLN 67 -7.984 -5.706 -11.021 424 H ASN 68 H ASN 68 -2.114 -4.858 -7.257 425 HA ASN 68 HA ASN 68 -0.096 -3.297 -8.784 426 HB3 ASN 68 HB3 ASN 68 -1.647 -1.601 -8.407 427 HD21 ASN 68 HD21 ASN 68 -1.550 -3.413 -5.309 428 HD22 ASN 68 HD22 ASN 68 -3.035 -2.753 -4.707 429 H LYS 69 H LYS 69 1.746 -4.283 -8.214 430 HA LYS 69 HA LYS 69 2.158 -5.583 -5.715 431 HB3 LYS 69 HB3 LYS 69 4.646 -5.144 -6.546 432 HG3 LYS 69 HG3 LYS 69 2.494 -6.837 -7.946 433 HD3 LYS 69 HD3 LYS 69 5.505 -7.228 -7.990 434 HE3 LYS 69 HE3 LYS 69 3.145 -9.086 -8.545 435 HZ1 LYS 69 HZ1 LYS 69 4.669 -9.593 -10.210 436 HZ2 LYS 69 HZ2 LYS 69 4.963 -10.676 -9.024 437 HZ3 LYS 69 HZ3 LYS 69 5.992 -9.441 -9.207 438 H SER 70 H SER 70 2.283 -2.153 -6.336 439 HA SER 70 HA SER 70 4.352 -1.701 -4.363 440 HB3 SER 70 HB3 SER 70 4.011 -0.330 -6.436 441 HG SER 70 HG SER 70 2.423 1.217 -6.392 442 H ALA 71 H ALA 71 0.853 -1.118 -4.572 443 HA ALA 71 HA ALA 71 0.422 0.079 -2.100 444 HB1 ALA 71 HB1 ALA 71 -1.515 -1.936 -3.275 445 HB2 ALA 71 HB2 ALA 71 -1.881 -0.434 -2.421 446 HB3 ALA 71 HB3 ALA 71 -1.230 -0.380 -4.083 447 H PHE 72 H PHE 72 0.960 -3.325 -2.842 448 HA PHE 72 HA PHE 72 0.293 -4.531 -0.362 449 HB3 PHE 72 HB3 PHE 72 2.704 -5.661 -1.579 450 HD1 PHE 72 HD1 PHE 72 1.654 -6.866 0.625 451 HD2 PHE 72 HD2 PHE 72 -0.010 -6.986 -3.343 452 HE1 PHE 72 HE1 PHE 72 0.425 -8.954 1.188 453 HE2 PHE 72 HE2 PHE 72 -1.186 -9.101 -2.797 454 HZ PHE 72 HZ PHE 72 -0.971 -10.084 -0.530 455 H LEU 73 H LEU 73 3.288 -2.727 -1.389 456 HA LEU 73 HA LEU 73 4.633 -3.465 1.049 457 HB3 LEU 73 HB3 LEU 73 5.306 -1.243 -0.946 458 HG LEU 73 HG LEU 73 6.876 -0.961 0.779 459 HD11 LEU 73 HD11 LEU 73 6.335 -2.741 2.309 460 HD12 LEU 73 HD12 LEU 73 8.036 -2.809 1.924 461 HD13 LEU 73 HD13 LEU 73 6.929 -3.972 1.167 462 HD21 LEU 73 HD21 LEU 73 7.972 -3.090 -1.117 463 HD22 LEU 73 HD22 LEU 73 9.006 -2.115 -0.079 464 HD23 LEU 73 HD23 LEU 73 7.979 -1.341 -1.364 465 H CYS 74 H CYS 74 2.934 -0.610 -0.240 466 HA CYS 74 HA CYS 74 3.216 1.108 1.957 467 HB3 CYS 74 HB3 CYS 74 1.126 2.184 1.125 468 HG CYS 74 HG CYS 74 1.545 2.692 -1.405 469 H GLY 75 H GLY 75 1.268 -1.694 1.503 470 HA2 GLY 75 HA2 GLY 75 -0.534 -1.415 3.754 471 HA3 GLY 75 HA3 GLY 75 -0.571 -2.584 2.439 472 H VAL 76 H VAL 76 2.622 -2.793 3.503 473 HA VAL 76 HA VAL 76 1.904 -4.212 6.056 474 HB VAL 76 HB VAL 76 2.869 -5.814 4.726 475 HG11 VAL 76 HG11 VAL 76 5.205 -5.664 3.816 476 HG12 VAL 76 HG12 VAL 76 3.934 -4.815 2.928 477 HG13 VAL 76 HG13 VAL 76 5.034 -3.883 3.955 478 HG21 VAL 76 HG21 VAL 76 4.748 -6.499 6.036 479 HG22 VAL 76 HG22 VAL 76 5.141 -4.838 6.497 480 HG23 VAL 76 HG23 VAL 76 3.660 -5.618 7.107 481 H MET 77 H MET 77 3.949 -1.644 4.568 482 HA MET 77 HA MET 77 5.347 -1.074 6.946 483 HB3 MET 77 HB3 MET 77 5.997 -0.260 4.704 484 HG3 MET 77 HG3 MET 77 3.681 1.647 5.210 485 HE1 MET 77 HE1 MET 77 7.405 1.615 3.713 486 HE2 MET 77 HE2 MET 77 6.325 0.843 2.512 487 HE3 MET 77 HE3 MET 77 7.054 2.436 2.185 488 H LYS 78 H LYS 78 1.995 -0.733 6.545 489 HA LYS 78 HA LYS 78 1.855 1.707 8.225 490 HB3 LYS 78 HB3 LYS 78 0.870 1.768 5.967 491 HG3 LYS 78 HG3 LYS 78 -1.277 -0.065 7.042 492 HD3 LYS 78 HD3 LYS 78 -2.080 0.262 4.599 493 HE3 LYS 78 HE3 LYS 78 -2.429 2.474 6.657 494 HZ1 LYS 78 HZ1 LYS 78 -4.553 2.776 5.341 495 HZ2 LYS 78 HZ2 LYS 78 -3.802 2.015 4.088 496 HZ3 LYS 78 HZ3 LYS 78 -3.213 3.418 4.662 497 H THR 79 H THR 79 1.285 -1.713 8.407 498 HA THR 79 HA THR 79 -0.046 -1.397 11.011 499 HB THR 79 HB THR 79 0.579 -3.701 9.150 500 HG1 THR 79 HG1 THR 79 -1.737 -2.536 10.326 501 HG21 THR 79 HG21 THR 79 -0.586 -4.093 11.906 502 HG22 THR 79 HG22 THR 79 1.057 -4.575 11.438 503 HG23 THR 79 HG23 THR 79 -0.343 -5.304 10.624 504 H TYR 80 H TYR 80 3.098 -2.796 9.763 505 HA TYR 80 HA TYR 80 3.794 -3.746 12.267 506 HB3 TYR 80 HB3 TYR 80 4.918 -4.057 9.903 507 HD1 TYR 80 HD1 TYR 80 4.973 -1.549 8.974 508 HD2 TYR 80 HD2 TYR 80 7.865 -3.216 11.694 509 HE1 TYR 80 HE1 TYR 80 6.525 0.344 8.487 510 HE2 TYR 80 HE2 TYR 80 9.361 -1.357 11.261 511 HH TYR 80 HH TYR 80 9.153 1.012 10.577 512 H ARG 81 H ARG 81 4.371 -0.456 10.999 513 HA ARG 81 HA ARG 81 5.768 0.683 13.082 514 HB3 ARG 81 HB3 ARG 81 4.093 2.716 12.205 515 HG3 ARG 81 HG3 ARG 81 6.591 1.648 10.863 516 HD3 ARG 81 HD3 ARG 81 6.752 4.311 10.664 517 HE ARG 81 HE ARG 81 5.946 2.329 8.715 518 HH11 ARG 81 HH11 ARG 81 6.128 5.865 9.118 519 HH12 ARG 81 HH12 ARG 81 6.984 6.102 7.634 520 HH21 ARG 81 HH21 ARG 81 7.280 2.754 6.773 521 HH22 ARG 81 HH22 ARG 81 7.388 4.371 6.200 522 H GLN 82 H GLN 82 2.683 -0.675 13.579 523 HA GLN 82 HA GLN 82 1.676 0.900 15.717 524 HB3 GLN 82 HB3 GLN 82 0.599 -1.114 14.647 525 HG3 GLN 82 HG3 GLN 82 2.334 -2.633 16.620 526 HE21 GLN 82 HE21 GLN 82 0.129 -3.003 13.802 527 HE22 GLN 82 HE22 GLN 82 -0.525 -4.547 14.311 528 H ARG 83 H ARG 83 4.398 -1.366 15.486 529 HA ARG 83 HA ARG 83 4.930 -1.174 18.384 530 HB3 ARG 83 HB3 ARG 83 4.434 -3.367 17.274 531 HG3 ARG 83 HG3 ARG 83 7.208 -3.791 16.462 532 HD3 ARG 83 HD3 ARG 83 4.835 -4.230 14.609 533 HE ARG 83 HE ARG 83 7.154 -4.886 13.944 534 HH11 ARG 83 HH11 ARG 83 5.894 -6.790 16.626 535 HH12 ARG 83 HH12 ARG 83 6.510 -8.306 16.078 536 HH21 ARG 83 HH21 ARG 83 8.264 -6.934 13.313 537 HH22 ARG 83 HH22 ARG 83 7.927 -8.343 14.193 538 H GLU 84 H GLU 84 5.836 0.845 16.184 539 HA GLU 84 HA GLU 84 8.722 0.828 16.974 540 HB3 GLU 84 HB3 GLU 84 9.073 2.344 15.065 541 HG3 GLU 84 HG3 GLU 84 7.630 -0.073 13.943 542 H LYS 85 H LYS 85 5.839 2.074 17.862 543 HA LYS 85 HA LYS 85 4.958 3.781 18.904 544 HB3 LYS 85 HB3 LYS 85 7.592 4.891 19.827 545 HG3 LYS 85 HG3 LYS 85 5.218 5.609 20.641 546 HD3 LYS 85 HD3 LYS 85 5.558 3.245 22.510 547 HE3 LYS 85 HE3 LYS 85 3.971 5.229 22.983 548 HZ1 LYS 85 HZ1 LYS 85 2.927 5.400 20.818 549 HZ2 LYS 85 HZ2 LYS 85 1.803 4.987 21.907 550 HZ3 LYS 85 HZ3 LYS 85 2.397 3.836 20.882 551 H GLN 86 H GLN 86 7.813 5.007 17.126 552 HA GLN 86 HA GLN 86 6.483 7.445 16.180 553 HB3 GLN 86 HB3 GLN 86 8.216 7.156 14.314 554 HG3 GLN 86 HG3 GLN 86 10.191 6.982 16.304 555 HE21 GLN 86 HE21 GLN 86 8.909 9.925 17.120 556 HE22 GLN 86 HE22 GLN 86 9.529 10.893 15.801 557 H GLY 87 H GLY 87 5.568 7.662 14.086 558 HA2 GLY 87 HA2 GLY 87 5.840 6.185 11.941 559 HA3 GLY 87 HA3 GLY 87 4.551 5.253 12.723 560 H THR 88 H THR 88 4.239 8.638 13.493 561 HA THR 88 HA THR 88 1.856 8.549 11.732 562 HB THR 88 HB THR 88 1.762 7.415 13.895 563 HG1 THR 88 HG1 THR 88 -0.311 8.460 14.388 564 HG21 THR 88 HG21 THR 88 2.911 9.080 15.374 565 HG22 THR 88 HG22 THR 88 1.326 8.558 15.967 566 HG23 THR 88 HG23 THR 88 1.498 10.144 15.198 567 H LYS 89 H LYS 89 1.818 10.197 10.596 568 HA LYS 89 HA LYS 89 2.311 12.940 11.659 569 HB3 LYS 89 HB3 LYS 89 3.627 13.564 9.664 570 HG3 LYS 89 HG3 LYS 89 4.579 12.654 12.027 571 HD3 LYS 89 HD3 LYS 89 4.922 10.302 10.860 572 HE3 LYS 89 HE3 LYS 89 6.345 11.946 9.054 573 HZ1 LYS 89 HZ1 LYS 89 8.228 10.371 10.713 574 HZ2 LYS 89 HZ2 LYS 89 8.178 12.009 10.618 575 HZ3 LYS 89 HZ3 LYS 89 8.606 11.150 9.306 576 H VAL 90 H VAL 90 0.121 13.342 11.555 577 HA VAL 90 HA VAL 90 -0.973 13.825 8.866 578 HB VAL 90 HB VAL 90 -3.171 12.969 9.813 579 HG11 VAL 90 HG11 VAL 90 -1.838 11.874 8.013 580 HG12 VAL 90 HG12 VAL 90 -1.093 10.839 9.250 581 HG13 VAL 90 HG13 VAL 90 -2.848 10.777 8.958 582 HG21 VAL 90 HG21 VAL 90 -1.409 11.324 11.690 583 HG22 VAL 90 HG22 VAL 90 -2.459 12.662 12.201 584 HG23 VAL 90 HG23 VAL 90 -3.159 11.205 11.483 585 H ALA 91 H ALA 91 0.187 15.771 10.018 586 HA ALA 91 HA ALA 91 -1.176 17.138 12.145 587 HB1 ALA 91 HB1 ALA 91 0.869 18.135 10.118 588 HB2 ALA 91 HB2 ALA 91 0.498 18.884 11.670 589 HB3 ALA 91 HB3 ALA 91 1.275 17.304 11.644 590 H ASP 92 H ASP 92 -2.435 16.588 9.267 591 HA ASP 92 HA ASP 92 -3.773 19.199 8.912 592 HB3 ASP 92 HB3 ASP 92 -2.130 19.379 7.269 593 H SER 93 H SER 93 -5.821 18.773 9.386 594 HA SER 93 HA SER 93 -7.326 16.981 7.737 595 HB3 SER 93 HB3 SER 93 -8.055 16.647 10.628 596 HG SER 93 HG SER 93 -7.491 14.717 8.618 597 H SER 94 H SER 94 -9.728 17.559 8.098 598 HA SER 94 HA SER 94 -10.720 19.339 9.895 599 HB3 SER 94 HB3 SER 94 -10.963 21.238 7.757 600 HG SER 94 HG SER 94 -10.734 22.368 9.411 601 H LYS 95 H LYS 95 -11.421 17.207 7.453 602 HA LYS 95 HA LYS 95 -13.887 18.669 6.602 603 HB3 LYS 95 HB3 LYS 95 -11.997 19.420 5.251 604 HG3 LYS 95 HG3 LYS 95 -11.854 16.587 4.131 605 HD3 LYS 95 HD3 LYS 95 -10.160 19.069 3.627 606 HE3 LYS 95 HE3 LYS 95 -10.257 16.311 2.371 607 HZ1 LYS 95 HZ1 LYS 95 -8.722 18.645 1.391 608 HZ2 LYS 95 HZ2 LYS 95 -10.122 18.049 0.695 609 HZ3 LYS 95 HZ3 LYS 95 -8.744 17.150 0.776 610 H GLY 96 H GLY 96 -15.438 17.616 5.381 611 HA2 GLY 96 HA2 GLY 96 -15.397 15.349 3.913 612 HA3 GLY 96 HA3 GLY 96 -15.623 14.731 5.550 613 HA PRO 97 HA PRO 97 -19.648 17.181 4.731 614 HB3 PRO 97 HB3 PRO 97 -19.172 19.067 3.433 615 HG3 PRO 97 HG3 PRO 97 -17.778 18.936 1.508 616 HD3 PRO 97 HD3 PRO 97 -16.410 18.110 3.246 617 H ASP 98 H ASP 98 -21.559 15.960 4.371 618 HA ASP 98 HA ASP 98 -21.848 14.246 2.003 619 HB3 ASP 98 HB3 ASP 98 -22.559 12.421 3.893 620 H GLU 99 H GLU 99 -23.492 15.792 1.675 621 HA GLU 99 HA GLU 99 -25.901 15.521 3.420 622 HB3 GLU 99 HB3 GLU 99 -25.062 18.273 2.694 623 HG3 GLU 99 HG3 GLU 99 -27.002 17.575 4.275 624 H ALA 100 H ALA 100 -25.362 14.762 0.562 625 HA ALA 100 HA ALA 100 -27.632 16.208 -0.689 626 HB1 ALA 100 HB1 ALA 100 -25.583 17.556 -1.153 627 HB2 ALA 100 HB2 ALA 100 -24.856 16.138 -1.947 628 HB3 ALA 100 HB3 ALA 100 -26.312 16.901 -2.629 629 H LYS 101 H LYS 101 -26.828 13.256 0.072 630 HA LYS 101 HA LYS 101 -26.409 12.156 -2.671 631 HB3 LYS 101 HB3 LYS 101 -25.282 10.287 -1.422 632 HG3 LYS 101 HG3 LYS 101 -24.349 13.188 -1.279 633 HD3 LYS 101 HD3 LYS 101 -23.134 11.784 0.443 634 HE3 LYS 101 HE3 LYS 101 -22.203 10.440 -2.129 635 HZ1 LYS 101 HZ1 LYS 101 -20.757 10.812 0.410 636 HZ2 LYS 101 HZ2 LYS 101 -20.223 11.147 -1.075 637 HZ3 LYS 101 HZ3 LYS 101 -20.417 9.558 -0.620 638 H ILE 102 H ILE 102 -28.323 11.727 -3.447 639 HA ILE 102 HA ILE 102 -30.464 10.383 -1.969 640 HB ILE 102 HB ILE 102 -30.104 11.357 -4.840 641 HG13 ILE 102 HG13 ILE 102 -30.303 13.085 -2.986 642 HG21 ILE 102 HG21 ILE 102 -31.660 9.465 -4.897 643 HG22 ILE 102 HG22 ILE 102 -32.609 10.166 -3.573 644 HG23 ILE 102 HG23 ILE 102 -32.540 10.954 -5.160 645 HD11 ILE 102 HD11 ILE 102 -32.747 13.139 -4.781 646 HD12 ILE 102 HD12 ILE 102 -31.917 14.494 -4.009 647 HD13 ILE 102 HD13 ILE 102 -31.106 13.596 -5.309 648 H LYS 103 H LYS 103 -28.946 9.600 -5.097 649 HA LYS 103 HA LYS 103 -28.053 7.808 -6.060 650 HB3 LYS 103 HB3 LYS 103 -26.701 6.253 -4.789 651 HG3 LYS 103 HG3 LYS 103 -25.127 7.668 -3.743 652 HD3 LYS 103 HD3 LYS 103 -26.388 9.611 -5.703 653 HE3 LYS 103 HE3 LYS 103 -23.524 8.678 -5.261 654 HZ1 LYS 103 HZ1 LYS 103 -22.959 10.597 -6.539 655 HZ2 LYS 103 HZ2 LYS 103 -24.502 11.077 -6.651 656 HZ3 LYS 103 HZ3 LYS 103 -24.006 9.714 -7.456 657 H ALA 104 H ALA 104 -30.379 6.902 -3.564 658 HA ALA 104 HA ALA 104 -31.833 5.437 -5.552 659 HB1 ALA 104 HB1 ALA 104 -31.271 4.119 -2.862 660 HB2 ALA 104 HB2 ALA 104 -32.263 3.461 -4.184 661 HB3 ALA 104 HB3 ALA 104 -30.509 3.609 -4.388 662 H LEU 105 H LEU 105 -33.731 4.642 -3.379 663 HA LEU 105 HA LEU 105 -35.595 5.377 -2.451 664 HB3 LEU 105 HB3 LEU 105 -33.715 7.466 -1.424 665 HG LEU 105 HG LEU 105 -35.257 7.592 0.550 666 HD11 LEU 105 HD11 LEU 105 -36.547 8.967 -1.818 667 HD12 LEU 105 HD12 LEU 105 -35.007 9.481 -1.102 668 HD13 LEU 105 HD13 LEU 105 -36.491 9.476 -0.131 669 HD21 LEU 105 HD21 LEU 105 -37.451 6.667 -1.340 670 HD22 LEU 105 HD22 LEU 105 -37.627 7.188 0.338 671 HD23 LEU 105 HD23 LEU 105 -36.742 5.697 -0.023 672 H LEU 106 H LEU 106 -37.043 5.678 -3.961 673 HA LEU 106 HA LEU 106 -37.841 8.321 -4.694 674 HB3 LEU 106 HB3 LEU 106 -37.033 6.271 -6.816 675 HG LEU 106 HG LEU 106 -39.124 7.552 -7.431 676 HD11 LEU 106 HD11 LEU 106 -38.692 9.692 -6.285 677 HD12 LEU 106 HD12 LEU 106 -38.887 9.962 -8.008 678 HD13 LEU 106 HD13 LEU 106 -37.256 9.970 -7.284 679 HD21 LEU 106 HD21 LEU 106 -37.547 6.686 -9.121 680 HD22 LEU 106 HD22 LEU 106 -36.641 8.211 -9.052 681 HD23 LEU 106 HD23 LEU 106 -38.317 8.208 -9.643 682 H GLU 107 H GLU 107 -40.089 8.180 -4.640 683 HA GLU 107 HA GLU 107 -41.266 5.557 -4.059 684 HB3 GLU 107 HB3 GLU 107 -41.822 7.415 -2.582 685 HG3 GLU 107 HG3 GLU 107 -43.579 9.084 -3.468 686 H ARG 108 H ARG 108 -43.817 5.663 -5.037 687 HA ARG 108 HA ARG 108 -43.988 6.819 -7.569 688 HB3 ARG 108 HB3 ARG 108 -44.439 3.901 -8.047 689 HG3 ARG 108 HG3 ARG 108 -42.874 6.127 -9.431 690 HD3 ARG 108 HD3 ARG 108 -43.755 3.531 -10.711 691 HE ARG 108 HE ARG 108 -42.682 4.616 -12.393 692 HH11 ARG 108 HH11 ARG 108 -40.849 5.352 -9.405 693 HH12 ARG 108 HH12 ARG 108 -39.443 5.888 -10.207 694 HH21 ARG 108 HH21 ARG 108 -40.797 5.394 -13.491 695 HH22 ARG 108 HH22 ARG 108 -39.426 5.951 -12.607 696 H THR 109 H THR 109 -46.111 6.055 -8.709 697 HA THR 109 HA THR 109 -48.031 4.656 -7.220 698 HB THR 109 HB THR 109 -48.354 6.891 -6.240 699 HG1 THR 109 HG1 THR 109 -50.496 6.979 -6.681 700 HG21 THR 109 HG21 THR 109 -47.432 8.297 -8.091 701 HG22 THR 109 HG22 THR 109 -49.041 8.826 -7.569 702 HG23 THR 109 HG23 THR 109 -48.853 7.904 -9.077 703 H GLY 110 H GLY 110 -49.478 3.865 -8.826 704 HA2 GLY 110 HA2 GLY 110 -49.941 4.587 -11.433 705 HA3 GLY 110 HA3 GLY 110 -48.372 3.767 -11.521 706 H TYR 111 H TYR 111 -51.822 3.362 -10.890 707 HA TYR 111 HA TYR 111 -51.700 0.722 -11.857 708 HB3 TYR 111 HB3 TYR 111 -53.386 0.475 -9.496 709 HD1 TYR 111 HD1 TYR 111 -53.739 -1.688 -10.843 710 HD2 TYR 111 HD2 TYR 111 -49.877 -0.543 -9.251 711 HE1 TYR 111 HE1 TYR 111 -52.853 -3.922 -11.364 712 HE2 TYR 111 HE2 TYR 111 -49.032 -2.833 -9.696 713 HH TYR 111 HH TYR 111 -50.742 -5.123 -11.665 714 H THR 112 H THR 112 -54.316 0.020 -11.647 715 HA THR 112 HA THR 112 -55.946 2.420 -12.113 716 HB THR 112 HB THR 112 -55.244 1.516 -14.300 717 HG1 THR 112 HG1 THR 112 -57.375 1.337 -15.104 718 HG21 THR 112 HG21 THR 112 -56.090 -0.600 -15.157 719 HG22 THR 112 HG22 THR 112 -56.853 -0.978 -13.604 720 HG23 THR 112 HG23 THR 112 -55.086 -0.918 -13.742 721 H LEU 113 H LEU 113 -58.347 1.309 -12.313 722 HA LEU 113 HA LEU 113 -58.869 0.458 -9.559 723 HB3 LEU 113 HB3 LEU 113 -61.233 0.630 -10.208 724 HG LEU 113 HG LEU 113 -59.683 2.756 -9.702 725 HD11 LEU 113 HD11 LEU 113 -59.063 3.212 -12.072 726 HD12 LEU 113 HD12 LEU 113 -60.046 4.516 -11.409 727 HD13 LEU 113 HD13 LEU 113 -60.781 3.323 -12.501 728 HD21 LEU 113 HD21 LEU 113 -61.736 4.127 -9.703 729 HD22 LEU 113 HD22 LEU 113 -62.029 2.512 -9.046 730 HD23 LEU 113 HD23 LEU 113 -62.559 2.899 -10.697 731 H ASP 114 H ASP 114 -57.454 -1.546 -11.410 732 HA ASP 114 HA ASP 114 -59.052 -3.821 -11.012 733 HB3 ASP 114 HB3 ASP 114 -58.239 -3.124 -13.865 734 H VAL 115 H VAL 115 -57.616 -4.848 -10.087 735 HA VAL 115 HA VAL 115 -54.758 -4.505 -10.027 736 HB VAL 115 HB VAL 115 -54.765 -6.667 -8.791 737 HG11 VAL 115 HG11 VAL 115 -56.013 -5.884 -6.848 738 HG12 VAL 115 HG12 VAL 115 -55.177 -4.527 -7.622 739 HG13 VAL 115 HG13 VAL 115 -56.928 -4.735 -7.846 740 HG21 VAL 115 HG21 VAL 115 -56.634 -7.822 -9.964 741 HG22 VAL 115 HG22 VAL 115 -56.865 -7.794 -8.212 742 HG23 VAL 115 HG23 VAL 115 -57.794 -6.692 -9.247 743 H THR 116 H THR 116 -56.815 -6.150 -12.335 744 HA THR 116 HA THR 116 -54.841 -8.063 -13.175 745 HB THR 116 HB THR 116 -57.340 -7.302 -14.718 746 HG1 THR 116 HG1 THR 116 -58.175 -7.493 -12.783 747 HG21 THR 116 HG21 THR 116 -55.834 -9.054 -15.648 748 HG22 THR 116 HG22 THR 116 -57.400 -9.724 -15.155 749 HG23 THR 116 HG23 THR 116 -55.972 -9.969 -14.125 750 H THR 117 H THR 117 -53.304 -5.996 -13.291 751 HA THR 117 HA THR 117 -52.760 -5.654 -16.135 752 HB THR 117 HB THR 117 -53.189 -3.288 -14.246 753 HG1 THR 117 HG1 THR 117 -54.860 -4.476 -15.772 754 HG21 THR 117 HG21 THR 117 -52.110 -3.287 -17.102 755 HG22 THR 117 HG22 THR 117 -51.213 -2.816 -15.639 756 HG23 THR 117 HG23 THR 117 -52.593 -1.847 -16.179 757 H GLY 118 H GLY 118 -50.454 -5.637 -16.434 758 HA2 GLY 118 HA2 GLY 118 -48.433 -4.992 -14.742 759 HA3 GLY 118 HA3 GLY 118 -48.888 -6.676 -14.372 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 14.671 -19.385 -7.384 2 HA2 GLY 1 HA2 GLY 1 12.957 -19.715 -5.688 3 HA3 GLY 1 HA3 GLY 1 13.823 -18.192 -5.371 4 H SER 2 H SER 2 12.906 -16.200 -6.397 5 HA SER 2 HA SER 2 9.948 -16.217 -6.736 6 HB3 SER 2 HB3 SER 2 9.717 -14.517 -5.143 7 HG SER 2 HG SER 2 11.497 -15.358 -3.415 8 H GLU 3 H GLU 3 9.218 -14.197 -7.814 9 HA GLU 3 HA GLU 3 11.241 -13.413 -9.844 10 HB3 GLU 3 HB3 GLU 3 9.338 -14.727 -10.645 11 HG3 GLU 3 HG3 GLU 3 7.169 -13.699 -11.005 12 H ASN 4 H ASN 4 8.656 -12.069 -7.753 13 HA ASN 4 HA ASN 4 9.177 -9.340 -8.088 14 HB3 ASN 4 HB3 ASN 4 8.275 -11.000 -5.750 15 HD21 ASN 4 HD21 ASN 4 9.607 -10.355 -4.019 16 HD22 ASN 4 HD22 ASN 4 9.575 -8.691 -3.425 17 H PHE 5 H PHE 5 11.156 -11.732 -6.389 18 HA PHE 5 HA PHE 5 12.866 -9.979 -4.985 19 HB3 PHE 5 HB3 PHE 5 13.444 -12.651 -6.301 20 HD1 PHE 5 HD1 PHE 5 14.797 -10.133 -3.772 21 HD2 PHE 5 HD2 PHE 5 15.531 -13.674 -6.144 22 HE1 PHE 5 HE1 PHE 5 17.089 -10.247 -2.901 23 HE2 PHE 5 HE2 PHE 5 17.871 -13.687 -5.362 24 HZ PHE 5 HZ PHE 5 18.645 -12.018 -3.687 25 H GLN 6 H GLN 6 12.784 -10.755 -8.428 26 HA GLN 6 HA GLN 6 15.365 -9.312 -8.858 27 HB3 GLN 6 HB3 GLN 6 13.798 -11.133 -10.717 28 HG3 GLN 6 HG3 GLN 6 15.416 -9.622 -11.881 29 HE21 GLN 6 HE21 GLN 6 17.216 -8.349 -11.607 30 HE22 GLN 6 HE22 GLN 6 18.664 -8.787 -10.748 31 H THR 7 H THR 7 11.840 -9.166 -9.605 32 HA THR 7 HA THR 7 12.024 -7.256 -11.647 33 HB THR 7 HB THR 7 9.980 -8.552 -10.661 34 HG1 THR 7 HG1 THR 7 9.719 -5.871 -11.599 35 HG21 THR 7 HG21 THR 7 9.455 -5.888 -9.277 36 HG22 THR 7 HG22 THR 7 10.050 -7.305 -8.409 37 HG23 THR 7 HG23 THR 7 8.503 -7.374 -9.216 38 H LEU 8 H LEU 8 12.242 -6.848 -8.140 39 HA LEU 8 HA LEU 8 12.063 -4.032 -7.953 40 HB3 LEU 8 HB3 LEU 8 13.290 -4.416 -5.763 41 HG LEU 8 HG LEU 8 11.024 -6.325 -6.486 42 HD11 LEU 8 HD11 LEU 8 12.226 -5.849 -3.745 43 HD12 LEU 8 HD12 LEU 8 12.401 -7.342 -4.705 44 HD13 LEU 8 HD13 LEU 8 10.809 -6.865 -4.137 45 HD21 LEU 8 HD21 LEU 8 9.628 -4.897 -5.164 46 HD22 LEU 8 HD22 LEU 8 10.413 -3.973 -6.442 47 HD23 LEU 8 HD23 LEU 8 11.014 -3.837 -4.776 48 H LEU 9 H LEU 9 14.882 -6.159 -8.348 49 HA LEU 9 HA LEU 9 16.951 -4.176 -8.364 50 HB3 LEU 9 HB3 LEU 9 18.097 -6.071 -9.744 51 HG LEU 9 HG LEU 9 18.264 -7.746 -7.939 52 HD11 LEU 9 HD11 LEU 9 19.880 -5.906 -8.118 53 HD12 LEU 9 HD12 LEU 9 19.601 -6.396 -6.433 54 HD13 LEU 9 HD13 LEU 9 18.871 -4.897 -7.067 55 HD21 LEU 9 HD21 LEU 9 17.278 -7.312 -5.784 56 HD22 LEU 9 HD22 LEU 9 16.019 -7.269 -6.998 57 HD23 LEU 9 HD23 LEU 9 16.661 -5.736 -6.320 58 H ASP 10 H ASP 10 15.013 -5.776 -10.869 59 HA ASP 10 HA ASP 10 16.077 -4.441 -13.107 60 HB3 ASP 10 HB3 ASP 10 13.279 -5.066 -13.519 61 H ALA 11 H ALA 11 13.568 -3.428 -10.910 62 HA ALA 11 HA ALA 11 12.630 -1.256 -12.549 63 HB1 ALA 11 HB1 ALA 11 11.292 -2.542 -10.938 64 HB2 ALA 11 HB2 ALA 11 12.301 -1.951 -9.604 65 HB3 ALA 11 HB3 ALA 11 11.289 -0.807 -10.524 66 H GLY 12 H GLY 12 15.382 -1.630 -10.474 67 HA2 GLY 12 HA2 GLY 12 16.881 0.372 -10.937 68 HA3 GLY 12 HA3 GLY 12 15.656 1.326 -10.126 69 H LEU 13 H LEU 13 15.318 -1.348 -8.369 70 HA LEU 13 HA LEU 13 16.460 0.206 -6.206 71 HB3 LEU 13 HB3 LEU 13 15.076 -1.194 -4.805 72 HG LEU 13 HG LEU 13 13.487 -0.922 -7.393 73 HD11 LEU 13 HD11 LEU 13 11.600 -0.636 -5.847 74 HD12 LEU 13 HD12 LEU 13 12.690 -0.899 -4.472 75 HD13 LEU 13 HD13 LEU 13 12.405 -2.203 -5.668 76 HD21 LEU 13 HD21 LEU 13 14.008 1.249 -5.327 77 HD22 LEU 13 HD22 LEU 13 12.773 1.309 -6.591 78 HD23 LEU 13 HD23 LEU 13 14.483 1.272 -7.029 79 HA PRO 14 HA PRO 14 20.009 -2.224 -5.461 80 HB3 PRO 14 HB3 PRO 14 20.565 -0.501 -3.972 81 HG3 PRO 14 HG3 PRO 14 18.947 0.351 -2.420 82 HD3 PRO 14 HD3 PRO 14 18.056 0.619 -4.536 83 H GLN 15 H GLN 15 20.824 -4.113 -4.534 84 HA GLN 15 HA GLN 15 19.163 -6.303 -4.116 85 HB3 GLN 15 HB3 GLN 15 22.001 -5.833 -3.146 86 HG3 GLN 15 HG3 GLN 15 20.206 -8.062 -2.676 87 HE21 GLN 15 HE21 GLN 15 20.633 -10.370 -2.766 88 HE22 GLN 15 HE22 GLN 15 21.192 -10.936 -4.333 89 H LYS 16 H LYS 16 20.762 -4.367 -1.458 90 HA LYS 16 HA LYS 16 19.716 -5.754 0.655 91 HB3 LYS 16 HB3 LYS 16 21.342 -4.079 1.080 92 HG3 LYS 16 HG3 LYS 16 19.294 -2.054 0.075 93 HD3 LYS 16 HD3 LYS 16 21.750 -1.684 1.757 94 HE3 LYS 16 HE3 LYS 16 21.489 0.755 0.555 95 HZ1 LYS 16 HZ1 LYS 16 23.213 -1.441 -0.430 96 HZ2 LYS 16 HZ2 LYS 16 23.557 -0.395 0.812 97 HZ3 LYS 16 HZ3 LYS 16 23.443 0.184 -0.697 98 H VAL 17 H VAL 17 17.851 -3.442 -1.327 99 HA VAL 17 HA VAL 17 15.736 -3.257 0.699 100 HB VAL 17 HB VAL 17 16.068 -2.229 -2.146 101 HG11 VAL 17 HG11 VAL 17 13.739 -2.738 -2.025 102 HG12 VAL 17 HG12 VAL 17 13.609 -2.063 -0.389 103 HG13 VAL 17 HG13 VAL 17 13.903 -1.010 -1.778 104 HG21 VAL 17 HG21 VAL 17 16.089 -0.018 -1.098 105 HG22 VAL 17 HG22 VAL 17 15.799 -0.732 0.499 106 HG23 VAL 17 HG23 VAL 17 17.324 -0.991 -0.322 107 H ALA 18 H ALA 18 16.325 -5.003 -2.427 108 HA ALA 18 HA ALA 18 13.801 -6.343 -2.420 109 HB1 ALA 18 HB1 ALA 18 15.284 -6.152 -4.400 110 HB2 ALA 18 HB2 ALA 18 16.462 -7.234 -3.603 111 HB3 ALA 18 HB3 ALA 18 14.850 -7.829 -4.053 112 H GLU 19 H GLU 19 16.960 -7.123 -1.025 113 HA GLU 19 HA GLU 19 16.443 -9.673 0.060 114 HB3 GLU 19 HB3 GLU 19 18.329 -9.002 1.632 115 HG3 GLU 19 HG3 GLU 19 19.857 -8.413 -0.442 116 H LYS 20 H LYS 20 14.984 -6.643 0.998 117 HA LYS 20 HA LYS 20 13.859 -8.088 3.313 118 HB3 LYS 20 HB3 LYS 20 13.478 -5.854 4.447 119 HG3 LYS 20 HG3 LYS 20 15.111 -7.674 5.152 120 HD3 LYS 20 HD3 LYS 20 17.305 -5.680 4.547 121 HE3 LYS 20 HE3 LYS 20 18.214 -8.200 3.958 122 HZ1 LYS 20 HZ1 LYS 20 18.257 -7.400 6.800 123 HZ2 LYS 20 HZ2 LYS 20 19.057 -6.506 5.660 124 HZ3 LYS 20 HZ3 LYS 20 19.422 -8.057 5.845 125 H LEU 21 H LEU 21 12.920 -8.056 0.597 126 HA LEU 21 HA LEU 21 10.128 -7.304 1.161 127 HB3 LEU 21 HB3 LEU 21 11.540 -6.740 -1.478 128 HG LEU 21 HG LEU 21 9.328 -7.186 -2.127 129 HD11 LEU 21 HD11 LEU 21 7.302 -6.042 -1.123 130 HD12 LEU 21 HD12 LEU 21 8.284 -5.610 0.265 131 HD13 LEU 21 HD13 LEU 21 8.002 -7.314 -0.121 132 HD21 LEU 21 HD21 LEU 21 9.289 -4.189 -1.602 133 HD22 LEU 21 HD22 LEU 21 8.608 -5.086 -2.979 134 HD23 LEU 21 HD23 LEU 21 10.367 -4.944 -2.755 135 H ASP 22 H ASP 22 12.517 -9.192 -0.672 136 HA ASP 22 HA ASP 22 10.950 -10.728 -2.260 137 HB3 ASP 22 HB3 ASP 22 13.517 -10.832 -1.990 138 H GLU 23 H GLU 23 11.615 -11.425 1.133 139 HA GLU 23 HA GLU 23 10.500 -13.931 1.097 140 HB3 GLU 23 HB3 GLU 23 10.928 -12.157 3.560 141 HG3 GLU 23 HG3 GLU 23 11.947 -14.929 2.875 142 H ILE 24 H ILE 24 9.038 -10.830 1.495 143 HA ILE 24 HA ILE 24 6.777 -11.497 3.183 144 HB ILE 24 HB ILE 24 7.127 -9.334 1.041 145 HG13 ILE 24 HG13 ILE 24 8.871 -9.056 2.636 146 HG21 ILE 24 HG21 ILE 24 4.766 -9.782 1.692 147 HG22 ILE 24 HG22 ILE 24 5.196 -9.354 3.358 148 HG23 ILE 24 HG23 ILE 24 5.300 -8.155 2.062 149 HD11 ILE 24 HD11 ILE 24 8.511 -6.912 3.558 150 HD12 ILE 24 HD12 ILE 24 7.506 -6.980 2.105 151 HD13 ILE 24 HD13 ILE 24 6.778 -7.186 3.714 152 H TYR 25 H TYR 25 7.456 -11.498 -0.305 153 HA TYR 25 HA TYR 25 4.890 -12.423 -1.223 154 HB3 TYR 25 HB3 TYR 25 6.281 -13.100 -3.265 155 HD1 TYR 25 HD1 TYR 25 7.580 -9.967 -1.658 156 HD2 TYR 25 HD2 TYR 25 4.881 -11.694 -4.550 157 HE1 TYR 25 HE1 TYR 25 6.897 -7.709 -2.423 158 HE2 TYR 25 HE2 TYR 25 4.272 -9.441 -5.333 159 HH TYR 25 HH TYR 25 5.661 -6.803 -4.955 160 H VAL 26 H VAL 26 7.416 -14.120 0.439 161 HA VAL 26 HA VAL 26 6.585 -16.746 -0.664 162 HB VAL 26 HB VAL 26 9.005 -15.934 1.008 163 HG11 VAL 26 HG11 VAL 26 8.320 -18.508 -0.473 164 HG12 VAL 26 HG12 VAL 26 9.889 -18.136 0.267 165 HG13 VAL 26 HG13 VAL 26 8.462 -18.328 1.287 166 HG21 VAL 26 HG21 VAL 26 8.824 -16.554 -1.984 167 HG22 VAL 26 HG22 VAL 26 9.124 -14.954 -1.285 168 HG23 VAL 26 HG23 VAL 26 10.308 -16.234 -1.066 169 H ALA 27 H ALA 27 6.384 -14.694 2.220 170 HA ALA 27 HA ALA 27 5.825 -16.898 4.007 171 HB1 ALA 27 HB1 ALA 27 5.409 -15.093 5.620 172 HB2 ALA 27 HB2 ALA 27 6.937 -14.873 4.767 173 HB3 ALA 27 HB3 ALA 27 5.524 -13.882 4.322 174 H GLY 28 H GLY 28 3.896 -15.015 1.789 175 HA2 GLY 28 HA2 GLY 28 1.628 -15.555 1.270 176 HA3 GLY 28 HA3 GLY 28 1.410 -16.225 2.886 177 H LEU 29 H LEU 29 3.088 -13.141 2.548 178 HA LEU 29 HA LEU 29 0.987 -11.886 4.191 179 HB3 LEU 29 HB3 LEU 29 2.741 -9.983 4.147 180 HG LEU 29 HG LEU 29 3.624 -12.676 5.270 181 HD11 LEU 29 HD11 LEU 29 5.557 -11.214 5.012 182 HD12 LEU 29 HD12 LEU 29 5.112 -11.245 6.717 183 HD13 LEU 29 HD13 LEU 29 4.669 -9.848 5.728 184 HD21 LEU 29 HD21 LEU 29 2.866 -11.787 7.433 185 HD22 LEU 29 HD22 LEU 29 1.515 -11.855 6.309 186 HD23 LEU 29 HD23 LEU 29 2.299 -10.296 6.661 187 H VAL 30 H VAL 30 1.721 -12.016 0.769 188 HA VAL 30 HA VAL 30 0.028 -9.569 0.402 189 HB VAL 30 HB VAL 30 1.407 -9.091 -1.597 190 HG11 VAL 30 HG11 VAL 30 3.132 -7.808 -0.337 191 HG12 VAL 30 HG12 VAL 30 1.569 -7.742 0.485 192 HG13 VAL 30 HG13 VAL 30 2.818 -8.808 1.112 193 HG21 VAL 30 HG21 VAL 30 3.764 -9.782 -1.682 194 HG22 VAL 30 HG22 VAL 30 3.526 -10.840 -0.272 195 HG23 VAL 30 HG23 VAL 30 2.692 -11.184 -1.807 196 H ALA 31 H ALA 31 -0.885 -9.257 -1.739 197 HA ALA 31 HA ALA 31 -1.758 -11.817 -2.821 198 HB1 ALA 31 HB1 ALA 31 -3.617 -10.621 -3.701 199 HB2 ALA 31 HB2 ALA 31 -3.407 -9.962 -2.070 200 HB3 ALA 31 HB3 ALA 31 -2.816 -9.060 -3.517 201 H HIS 32 H HIS 32 0.919 -10.664 -3.500 202 HA HIS 32 HA HIS 32 2.245 -10.323 -5.253 203 HB3 HIS 32 HB3 HIS 32 2.167 -12.273 -6.305 204 HD1 HIS 32 HD1 HIS 32 0.704 -14.026 -4.697 205 HD2 HIS 32 HD2 HIS 32 -1.268 -12.034 -7.819 206 HE1 HIS 32 HE1 HIS 32 -1.610 -15.064 -4.840 207 H SER 33 H SER 33 -0.684 -9.980 -7.263 208 HA SER 33 HA SER 33 -0.115 -7.197 -7.975 209 HB3 SER 33 HB3 SER 33 -1.077 -8.033 -9.816 210 HG SER 33 HG SER 33 -2.806 -9.940 -8.788 211 H ASP 34 H ASP 34 -0.062 -6.594 -5.727 212 HA ASP 34 HA ASP 34 -2.712 -6.276 -4.395 213 HB3 ASP 34 HB3 ASP 34 -0.019 -6.488 -2.995 214 H LEU 35 H LEU 35 0.641 -4.942 -4.445 215 HA LEU 35 HA LEU 35 0.008 -2.401 -3.328 216 HB3 LEU 35 HB3 LEU 35 2.227 -1.743 -4.470 217 HG LEU 35 HG LEU 35 3.767 -2.929 -3.170 218 HD11 LEU 35 HD11 LEU 35 2.344 -1.299 -1.976 219 HD12 LEU 35 HD12 LEU 35 2.958 -2.580 -0.914 220 HD13 LEU 35 HD13 LEU 35 1.275 -2.627 -1.481 221 HD21 LEU 35 HD21 LEU 35 3.345 -4.911 -1.863 222 HD22 LEU 35 HD22 LEU 35 2.941 -5.226 -3.552 223 HD23 LEU 35 HD23 LEU 35 1.646 -4.954 -2.361 224 H ASP 36 H ASP 36 0.289 -0.325 -4.465 225 HA ASP 36 HA ASP 36 -0.874 -0.251 -7.186 226 HB3 ASP 36 HB3 ASP 36 -0.964 2.221 -6.704 227 H GLU 37 H GLU 37 0.183 1.157 -8.561 228 HA GLU 37 HA GLU 37 2.968 1.376 -8.866 229 HB3 GLU 37 HB3 GLU 37 0.731 3.251 -9.698 230 HG3 GLU 37 HG3 GLU 37 3.299 2.412 -11.091 231 H ARG 38 H ARG 38 0.663 3.196 -6.994 232 HA ARG 38 HA ARG 38 2.024 5.592 -6.395 233 HB3 ARG 38 HB3 ARG 38 0.568 5.708 -4.425 234 HG3 ARG 38 HG3 ARG 38 -0.875 4.460 -6.812 235 HD3 ARG 38 HD3 ARG 38 -2.138 5.659 -4.328 236 HE ARG 38 HE ARG 38 -3.250 5.178 -6.865 237 HH11 ARG 38 HH11 ARG 38 -3.858 3.297 -4.044 238 HH12 ARG 38 HH12 ARG 38 -5.558 3.532 -3.932 239 HH21 ARG 38 HH21 ARG 38 -5.606 5.246 -7.029 240 HH22 ARG 38 HH22 ARG 38 -6.592 4.809 -5.698 241 H ALA 39 H ALA 39 2.129 2.365 -4.770 242 HA ALA 39 HA ALA 39 4.097 3.218 -2.822 243 HB1 ALA 39 HB1 ALA 39 2.769 1.376 -2.131 244 HB2 ALA 39 HB2 ALA 39 3.043 0.494 -3.663 245 HB3 ALA 39 HB3 ALA 39 4.357 0.703 -2.489 246 H ILE 40 H ILE 40 4.214 1.702 -6.083 247 HA ILE 40 HA ILE 40 6.940 0.906 -5.985 248 HB ILE 40 HB ILE 40 5.423 1.870 -8.426 249 HG13 ILE 40 HG13 ILE 40 5.050 -0.523 -8.882 250 HG21 ILE 40 HG21 ILE 40 7.804 1.881 -8.908 251 HG22 ILE 40 HG22 ILE 40 7.999 0.278 -8.192 252 HG23 ILE 40 HG23 ILE 40 7.068 0.476 -9.689 253 HD11 ILE 40 HD11 ILE 40 5.102 -2.202 -7.133 254 HD12 ILE 40 HD12 ILE 40 6.741 -1.593 -7.403 255 HD13 ILE 40 HD13 ILE 40 5.812 -1.060 -5.980 256 H GLU 41 H GLU 41 5.493 4.020 -7.006 257 HA GLU 41 HA GLU 41 7.909 5.321 -7.701 258 HB3 GLU 41 HB3 GLU 41 6.434 7.410 -7.017 259 HG3 GLU 41 HG3 GLU 41 4.692 6.314 -8.938 260 H ALA 42 H ALA 42 6.168 5.292 -4.561 261 HA ALA 42 HA ALA 42 8.132 7.017 -3.339 262 HB1 ALA 42 HB1 ALA 42 5.810 6.801 -2.540 263 HB2 ALA 42 HB2 ALA 42 6.147 5.129 -2.035 264 HB3 ALA 42 HB3 ALA 42 6.998 6.510 -1.268 265 H LEU 43 H LEU 43 7.857 3.527 -3.738 266 HA LEU 43 HA LEU 43 10.166 2.809 -2.118 267 HB3 LEU 43 HB3 LEU 43 9.862 0.588 -3.397 268 HG LEU 43 HG LEU 43 7.472 1.578 -1.806 269 HD11 LEU 43 HD11 LEU 43 7.015 -0.868 -1.568 270 HD12 LEU 43 HD12 LEU 43 8.326 -1.209 -2.702 271 HD13 LEU 43 HD13 LEU 43 6.885 -0.315 -3.241 272 HD21 LEU 43 HD21 LEU 43 9.501 1.623 -0.452 273 HD22 LEU 43 HD22 LEU 43 9.954 0.001 -1.019 274 HD23 LEU 43 HD23 LEU 43 8.533 0.230 0.016 275 H LYS 44 H LYS 44 10.170 4.720 -4.781 276 HA LYS 44 HA LYS 44 12.817 3.645 -5.588 277 HB3 LYS 44 HB3 LYS 44 10.986 5.233 -7.390 278 HG3 LYS 44 HG3 LYS 44 13.230 3.215 -7.900 279 HD3 LYS 44 HD3 LYS 44 12.918 3.823 -10.306 280 HE3 LYS 44 HE3 LYS 44 10.552 2.396 -9.035 281 HZ1 LYS 44 HZ1 LYS 44 9.990 2.980 -11.245 282 HZ2 LYS 44 HZ2 LYS 44 10.396 1.424 -11.296 283 HZ3 LYS 44 HZ3 LYS 44 11.459 2.560 -11.857 284 H GLU 45 H GLU 45 11.578 5.880 -3.584 285 HA GLU 45 HA GLU 45 13.782 7.784 -4.266 286 HB3 GLU 45 HB3 GLU 45 11.542 8.674 -4.937 287 HG3 GLU 45 HG3 GLU 45 11.066 8.671 -1.915 288 H PHE 46 H PHE 46 13.186 5.557 -2.066 289 HA PHE 46 HA PHE 46 13.471 6.948 0.474 290 HB3 PHE 46 HB3 PHE 46 12.453 4.883 0.573 291 HD1 PHE 46 HD1 PHE 46 15.730 4.200 -1.278 292 HD2 PHE 46 HD2 PHE 46 11.748 2.821 -0.256 293 HE1 PHE 46 HE1 PHE 46 15.944 2.368 -2.879 294 HE2 PHE 46 HE2 PHE 46 12.036 0.938 -1.840 295 HZ PHE 46 HZ PHE 46 14.112 0.736 -3.170 296 H ASN 47 H ASN 47 15.480 6.048 1.877 297 HA ASN 47 HA ASN 47 17.979 6.224 0.297 298 HB3 ASN 47 HB3 ASN 47 17.753 7.915 2.179 299 HD21 ASN 47 HD21 ASN 47 19.679 6.278 4.374 300 HD22 ASN 47 HD22 ASN 47 18.418 6.017 5.557 301 H GLU 48 H GLU 48 19.646 4.917 1.595 302 HA GLU 48 HA GLU 48 19.347 2.185 1.207 303 HB3 GLU 48 HB3 GLU 48 21.336 4.005 2.604 304 HG3 GLU 48 HG3 GLU 48 21.383 1.017 2.582 305 H ASP 49 H ASP 49 18.708 3.978 4.239 306 HA ASP 49 HA ASP 49 18.012 1.349 5.480 307 HB3 ASP 49 HB3 ASP 49 18.096 3.938 6.952 308 H GLY 50 H GLY 50 16.593 3.649 3.625 309 HA2 GLY 50 HA2 GLY 50 14.360 4.374 5.235 310 HA3 GLY 50 HA3 GLY 50 14.569 4.724 3.512 311 H ALA 51 H ALA 51 14.612 2.265 2.298 312 HA ALA 51 HA ALA 51 11.891 1.326 2.631 313 HB1 ALA 51 HB1 ALA 51 13.657 -0.707 1.493 314 HB2 ALA 51 HB2 ALA 51 12.236 0.083 0.818 315 HB3 ALA 51 HB3 ALA 51 13.833 0.866 0.674 316 H LEU 52 H LEU 52 15.060 0.339 3.946 317 HA LEU 52 HA LEU 52 14.111 -2.070 5.139 318 HB3 LEU 52 HB3 LEU 52 16.259 -1.908 6.472 319 HG LEU 52 HG LEU 52 16.678 -1.239 3.524 320 HD11 LEU 52 HD11 LEU 52 18.764 -1.167 4.798 321 HD12 LEU 52 HD12 LEU 52 18.727 -2.568 3.724 322 HD13 LEU 52 HD13 LEU 52 18.433 -2.762 5.488 323 HD21 LEU 52 HD21 LEU 52 16.098 -3.864 4.965 324 HD22 LEU 52 HD22 LEU 52 16.799 -3.786 3.331 325 HD23 LEU 52 HD23 LEU 52 15.212 -3.113 3.613 326 H ALA 53 H ALA 53 13.535 1.130 6.077 327 HA ALA 53 HA ALA 53 12.782 0.441 8.842 328 HB1 ALA 53 HB1 ALA 53 12.054 2.849 8.823 329 HB2 ALA 53 HB2 ALA 53 13.775 2.643 8.332 330 HB3 ALA 53 HB3 ALA 53 12.526 2.968 7.134 331 H VAL 54 H VAL 54 11.342 1.225 5.702 332 HA VAL 54 HA VAL 54 8.638 1.416 6.669 333 HB VAL 54 HB VAL 54 9.727 1.109 3.856 334 HG11 VAL 54 HG11 VAL 54 7.079 2.469 4.495 335 HG12 VAL 54 HG12 VAL 54 7.732 1.970 2.931 336 HG13 VAL 54 HG13 VAL 54 7.189 0.745 4.085 337 HG21 VAL 54 HG21 VAL 54 10.380 3.206 5.379 338 HG22 VAL 54 HG22 VAL 54 10.009 3.370 3.666 339 HG23 VAL 54 HG23 VAL 54 8.800 3.749 4.900 340 H LEU 55 H LEU 55 10.343 -0.997 4.617 341 HA LEU 55 HA LEU 55 8.331 -2.850 4.528 342 HB3 LEU 55 HB3 LEU 55 10.227 -4.366 3.843 343 HG LEU 55 HG LEU 55 8.753 -2.531 2.529 344 HD11 LEU 55 HD11 LEU 55 10.032 -1.271 0.978 345 HD12 LEU 55 HD12 LEU 55 11.455 -1.616 2.003 346 HD13 LEU 55 HD13 LEU 55 10.055 -0.723 2.670 347 HD21 LEU 55 HD21 LEU 55 11.006 -3.941 1.117 348 HD22 LEU 55 HD22 LEU 55 9.398 -3.562 0.490 349 HD23 LEU 55 HD23 LEU 55 9.619 -4.819 1.746 350 H GLN 56 H GLN 56 10.375 -2.169 7.240 351 HA GLN 56 HA GLN 56 10.363 -4.848 8.418 352 HB3 GLN 56 HB3 GLN 56 10.799 -2.042 9.516 353 HG3 GLN 56 HG3 GLN 56 9.870 -3.333 11.401 354 HE21 GLN 56 HE21 GLN 56 9.402 -5.676 10.437 355 HE22 GLN 56 HE22 GLN 56 10.590 -6.882 10.852 356 H GLN 57 H GLN 57 8.573 -1.908 9.298 357 HA GLN 57 HA GLN 57 6.649 -3.265 10.858 358 HB3 GLN 57 HB3 GLN 57 5.442 -1.321 11.046 359 HG3 GLN 57 HG3 GLN 57 7.993 -0.039 10.000 360 HE21 GLN 57 HE21 GLN 57 8.634 1.875 11.269 361 HE22 GLN 57 HE22 GLN 57 7.414 2.733 12.199 362 H PHE 58 H PHE 58 6.696 -2.685 7.372 363 HA PHE 58 HA PHE 58 4.127 -3.501 6.682 364 HB3 PHE 58 HB3 PHE 58 6.675 -3.995 5.182 365 HD1 PHE 58 HD1 PHE 58 3.068 -2.855 4.693 366 HD2 PHE 58 HD2 PHE 58 6.458 -5.014 3.123 367 HE1 PHE 58 HE1 PHE 58 1.749 -3.510 2.698 368 HE2 PHE 58 HE2 PHE 58 5.098 -5.750 1.179 369 HZ PHE 58 HZ PHE 58 2.725 -5.013 0.989 370 H LYS 59 H LYS 59 6.935 -5.617 7.341 371 HA LYS 59 HA LYS 59 5.679 -8.100 6.688 372 HB3 LYS 59 HB3 LYS 59 7.285 -9.002 8.448 373 HG3 LYS 59 HG3 LYS 59 8.258 -7.238 6.214 374 HD3 LYS 59 HD3 LYS 59 9.702 -8.433 8.570 375 HE3 LYS 59 HE3 LYS 59 11.394 -8.460 6.128 376 HZ1 LYS 59 HZ1 LYS 59 11.304 -10.365 8.361 377 HZ2 LYS 59 HZ2 LYS 59 12.072 -8.930 8.542 378 HZ3 LYS 59 HZ3 LYS 59 12.584 -9.981 7.393 379 H ASP 60 H ASP 60 5.533 -6.069 9.620 380 HA ASP 60 HA ASP 60 4.001 -8.209 10.979 381 HB3 ASP 60 HB3 ASP 60 5.252 -5.811 12.309 382 H SER 61 H SER 61 2.771 -6.535 8.976 383 HA SER 61 HA SER 61 1.015 -4.619 10.392 384 HB3 SER 61 HB3 SER 61 0.043 -4.419 8.084 385 HG SER 61 HG SER 61 2.844 -4.265 8.458 386 H ASP 62 H ASP 62 -1.432 -5.003 10.061 387 HA ASP 62 HA ASP 62 -2.129 -7.821 10.708 388 HB3 ASP 62 HB3 ASP 62 -3.739 -5.235 10.833 389 H LEU 63 H LEU 63 -1.788 -8.710 8.605 390 HA LEU 63 HA LEU 63 -3.247 -7.444 6.359 391 HB3 LEU 63 HB3 LEU 63 -1.822 -8.715 4.893 392 HG LEU 63 HG LEU 63 -0.083 -7.581 7.129 393 HD11 LEU 63 HD11 LEU 63 1.106 -8.791 5.322 394 HD12 LEU 63 HD12 LEU 63 1.510 -7.062 5.404 395 HD13 LEU 63 HD13 LEU 63 0.423 -7.671 4.130 396 HD21 LEU 63 HD21 LEU 63 -0.169 -5.442 5.817 397 HD22 LEU 63 HD22 LEU 63 -1.696 -5.840 6.601 398 HD23 LEU 63 HD23 LEU 63 -1.492 -6.127 4.854 399 H SER 64 H SER 64 -5.087 -8.349 7.891 400 HA SER 64 HA SER 64 -5.683 -11.130 7.552 401 HB3 SER 64 HB3 SER 64 -7.735 -9.014 8.263 402 HG SER 64 HG SER 64 -8.557 -10.712 9.433 403 H HIS 65 H HIS 65 -7.137 -8.174 6.117 404 HA HIS 65 HA HIS 65 -8.065 -9.643 3.723 405 HB3 HIS 65 HB3 HIS 65 -9.867 -8.128 5.657 406 HD1 HIS 65 HD1 HIS 65 -11.993 -7.261 4.488 407 HD2 HIS 65 HD2 HIS 65 -10.105 -10.470 2.499 408 HE1 HIS 65 HE1 HIS 65 -13.348 -7.693 2.376 409 H VAL 66 H VAL 66 -5.942 -7.852 3.894 410 HA VAL 66 HA VAL 66 -6.895 -5.127 3.361 411 HB VAL 66 HB VAL 66 -4.093 -6.307 3.192 412 HG11 VAL 66 HG11 VAL 66 -4.301 -4.262 1.850 413 HG12 VAL 66 HG12 VAL 66 -5.142 -3.447 3.192 414 HG13 VAL 66 HG13 VAL 66 -3.429 -3.866 3.336 415 HG21 VAL 66 HG21 VAL 66 -3.700 -5.129 5.319 416 HG22 VAL 66 HG22 VAL 66 -5.419 -4.685 5.386 417 HG23 VAL 66 HG23 VAL 66 -4.935 -6.387 5.486 418 H GLN 67 H GLN 67 -7.965 -4.926 1.522 419 HA GLN 67 HA GLN 67 -7.426 -6.370 -0.900 420 HB3 GLN 67 HB3 GLN 67 -9.659 -5.555 -0.486 421 HG3 GLN 67 HG3 GLN 67 -8.324 -2.848 -0.153 422 HE21 GLN 67 HE21 GLN 67 -11.803 -3.889 -0.221 423 HE22 GLN 67 HE22 GLN 67 -12.186 -2.769 -1.522 424 H ASN 68 H ASN 68 -5.847 -3.597 0.469 425 HA ASN 68 HA ASN 68 -4.271 -3.254 -2.003 426 HB3 ASN 68 HB3 ASN 68 -5.700 -0.919 -0.656 427 HD21 ASN 68 HD21 ASN 68 -5.484 1.102 -2.427 428 HD22 ASN 68 HD22 ASN 68 -3.838 1.182 -3.065 429 H LYS 69 H LYS 69 -2.546 -4.170 -0.838 430 HA LYS 69 HA LYS 69 -1.604 -3.325 1.680 431 HB3 LYS 69 HB3 LYS 69 0.718 -3.954 0.511 432 HG3 LYS 69 HG3 LYS 69 0.295 -5.722 1.832 433 HD3 LYS 69 HD3 LYS 69 -2.564 -5.779 0.855 434 HE3 LYS 69 HE3 LYS 69 -2.228 -7.579 3.030 435 HZ1 LYS 69 HZ1 LYS 69 -3.879 -7.670 1.234 436 HZ2 LYS 69 HZ2 LYS 69 -3.161 -9.124 1.419 437 HZ3 LYS 69 HZ3 LYS 69 -2.709 -8.122 0.182 438 H SER 70 H SER 70 -1.384 -1.474 -1.353 439 HA SER 70 HA SER 70 0.909 0.089 -0.669 440 HB3 SER 70 HB3 SER 70 -1.483 0.855 -2.405 441 HG SER 70 HG SER 70 -0.275 2.583 -2.353 442 H ALA 71 H ALA 71 -2.611 0.610 -0.222 443 HA ALA 71 HA ALA 71 -2.343 3.109 1.042 444 HB1 ALA 71 HB1 ALA 71 -4.569 1.042 1.276 445 HB2 ALA 71 HB2 ALA 71 -4.696 2.739 1.765 446 HB3 ALA 71 HB3 ALA 71 -4.448 2.331 0.059 447 H PHE 72 H PHE 72 -1.418 0.096 2.306 448 HA PHE 72 HA PHE 72 -1.476 0.999 5.130 449 HB3 PHE 72 HB3 PHE 72 -0.029 -1.454 4.220 450 HD1 PHE 72 HD1 PHE 72 0.457 -0.171 6.838 451 HD2 PHE 72 HD2 PHE 72 -2.689 -2.884 5.622 452 HE1 PHE 72 HE1 PHE 72 0.172 -0.902 9.170 453 HE2 PHE 72 HE2 PHE 72 -2.948 -3.619 7.967 454 HZ PHE 72 HZ PHE 72 -1.532 -2.614 9.754 455 H LEU 73 H LEU 73 0.880 -0.029 2.558 456 HA LEU 73 HA LEU 73 3.205 0.448 4.007 457 HB3 LEU 73 HB3 LEU 73 2.869 0.721 1.003 458 HG LEU 73 HG LEU 73 5.183 1.143 2.170 459 HD11 LEU 73 HD11 LEU 73 6.476 -0.890 2.664 460 HD12 LEU 73 HD12 LEU 73 5.045 -1.882 2.362 461 HD13 LEU 73 HD13 LEU 73 5.083 -0.769 3.751 462 HD21 LEU 73 HD21 LEU 73 4.939 0.730 -0.245 463 HD22 LEU 73 HD22 LEU 73 4.931 -1.012 0.037 464 HD23 LEU 73 HD23 LEU 73 6.385 -0.058 0.421 465 H CYS 74 H CYS 74 1.428 2.646 1.833 466 HA CYS 74 HA CYS 74 3.224 4.815 1.834 467 HB3 CYS 74 HB3 CYS 74 0.171 4.894 1.653 468 HG CYS 74 HG CYS 74 0.682 6.592 -0.466 469 H GLY 75 H GLY 75 1.064 3.680 4.341 470 HA2 GLY 75 HA2 GLY 75 0.945 6.074 5.978 471 HA3 GLY 75 HA3 GLY 75 0.584 4.401 6.471 472 H VAL 76 H VAL 76 2.797 2.944 6.257 473 HA VAL 76 HA VAL 76 4.304 3.876 8.467 474 HB VAL 76 HB VAL 76 4.148 1.564 8.290 475 HG11 VAL 76 HG11 VAL 76 3.667 1.173 6.014 476 HG12 VAL 76 HG12 VAL 76 5.302 1.671 5.503 477 HG13 VAL 76 HG13 VAL 76 5.053 0.195 6.463 478 HG21 VAL 76 HG21 VAL 76 6.993 2.354 7.557 479 HG22 VAL 76 HG22 VAL 76 6.284 2.250 9.175 480 HG23 VAL 76 HG23 VAL 76 6.527 0.792 8.187 481 H MET 77 H MET 77 4.892 4.269 4.992 482 HA MET 77 HA MET 77 7.519 5.318 5.098 483 HB3 MET 77 HB3 MET 77 6.751 6.727 3.139 484 HG3 MET 77 HG3 MET 77 6.049 3.814 2.979 485 HE1 MET 77 HE1 MET 77 6.156 3.250 -0.746 486 HE2 MET 77 HE2 MET 77 7.166 2.734 0.631 487 HE3 MET 77 HE3 MET 77 5.386 2.810 0.798 488 H LYS 78 H LYS 78 4.441 7.162 5.361 489 HA LYS 78 HA LYS 78 5.797 9.615 6.089 490 HB3 LYS 78 HB3 LYS 78 3.362 10.012 7.148 491 HG3 LYS 78 HG3 LYS 78 4.530 10.349 4.487 492 HD3 LYS 78 HD3 LYS 78 2.638 9.118 3.632 493 HE3 LYS 78 HE3 LYS 78 1.015 9.385 5.498 494 HZ1 LYS 78 HZ1 LYS 78 -0.326 11.384 5.478 495 HZ2 LYS 78 HZ2 LYS 78 0.700 12.160 4.474 496 HZ3 LYS 78 HZ3 LYS 78 1.195 11.700 6.000 497 H THR 79 H THR 79 4.914 6.782 8.089 498 HA THR 79 HA THR 79 5.250 8.195 10.565 499 HB THR 79 HB THR 79 5.757 5.230 10.029 500 HG1 THR 79 HG1 THR 79 3.316 6.663 10.251 501 HG21 THR 79 HG21 THR 79 4.948 4.924 12.308 502 HG22 THR 79 HG22 THR 79 4.695 6.667 12.493 503 HG23 THR 79 HG23 THR 79 6.339 6.013 12.299 504 H TYR 80 H TYR 80 7.568 5.998 8.726 505 HA TYR 80 HA TYR 80 9.547 6.554 10.712 506 HB3 TYR 80 HB3 TYR 80 9.301 4.603 8.914 507 HD1 TYR 80 HD1 TYR 80 8.867 5.541 6.630 508 HD2 TYR 80 HD2 TYR 80 12.745 5.700 8.457 509 HE1 TYR 80 HE1 TYR 80 9.892 6.094 4.398 510 HE2 TYR 80 HE2 TYR 80 13.771 6.171 6.279 511 HH TYR 80 HH TYR 80 13.157 7.201 4.209 512 H ARG 81 H ARG 81 8.791 8.164 7.634 513 HA ARG 81 HA ARG 81 11.069 9.807 7.339 514 HB3 ARG 81 HB3 ARG 81 9.420 11.422 6.270 515 HG3 ARG 81 HG3 ARG 81 9.516 8.506 5.417 516 HD3 ARG 81 HD3 ARG 81 8.602 10.951 3.888 517 HE ARG 81 HE ARG 81 9.199 8.195 2.999 518 HH11 ARG 81 HH11 ARG 81 8.456 11.371 1.979 519 HH12 ARG 81 HH12 ARG 81 7.497 11.029 0.587 520 HH21 ARG 81 HH21 ARG 81 8.574 7.624 0.755 521 HH22 ARG 81 HH22 ARG 81 7.721 8.813 -0.190 522 H GLN 82 H GLN 82 8.558 10.050 9.839 523 HA GLN 82 HA GLN 82 9.199 12.764 10.507 524 HB3 GLN 82 HB3 GLN 82 7.130 11.350 11.130 525 HG3 GLN 82 HG3 GLN 82 8.547 11.036 13.773 526 HE21 GLN 82 HE21 GLN 82 7.413 8.168 13.427 527 HE22 GLN 82 HE22 GLN 82 5.862 8.447 14.193 528 H ARG 83 H ARG 83 10.771 9.675 11.203 529 HA ARG 83 HA ARG 83 12.603 10.929 13.185 530 HB3 ARG 83 HB3 ARG 83 11.363 9.353 14.308 531 HG3 ARG 83 HG3 ARG 83 11.921 7.431 12.037 532 HD3 ARG 83 HD3 ARG 83 12.375 6.344 14.202 533 HE ARG 83 HE ARG 83 10.878 7.488 15.717 534 HH11 ARG 83 HH11 ARG 83 9.634 4.533 14.178 535 HH12 ARG 83 HH12 ARG 83 8.298 4.388 15.230 536 HH21 ARG 83 HH21 ARG 83 9.307 7.134 17.224 537 HH22 ARG 83 HH22 ARG 83 8.158 5.858 17.084 538 H GLU 84 H GLU 84 12.576 9.879 9.953 539 HA GLU 84 HA GLU 84 15.102 8.860 9.467 540 HB3 GLU 84 HB3 GLU 84 15.043 10.566 7.447 541 HG3 GLU 84 HG3 GLU 84 12.830 8.528 7.601 542 H LYS 85 H LYS 85 14.469 12.334 9.164 543 HA LYS 85 HA LYS 85 17.205 12.985 10.100 544 HB3 LYS 85 HB3 LYS 85 15.997 13.821 7.418 545 HG3 LYS 85 HG3 LYS 85 18.899 13.620 8.351 546 HD3 LYS 85 HD3 LYS 85 17.797 14.919 5.800 547 HE3 LYS 85 HE3 LYS 85 20.184 14.420 5.057 548 HZ1 LYS 85 HZ1 LYS 85 20.126 16.598 5.682 549 HZ2 LYS 85 HZ2 LYS 85 21.213 16.018 6.756 550 HZ3 LYS 85 HZ3 LYS 85 19.664 16.303 7.244 551 H GLN 86 H GLN 86 17.398 15.423 10.231 552 HA GLN 86 HA GLN 86 14.844 16.552 11.268 553 HB3 GLN 86 HB3 GLN 86 17.729 17.324 11.854 554 HG3 GLN 86 HG3 GLN 86 15.516 17.538 13.869 555 HE21 GLN 86 HE21 GLN 86 18.484 17.384 14.150 556 HE22 GLN 86 HE22 GLN 86 19.033 18.975 14.592 557 H GLY 87 H GLY 87 14.379 16.953 8.822 558 HA2 GLY 87 HA2 GLY 87 15.375 19.677 8.151 559 HA3 GLY 87 HA3 GLY 87 15.482 18.342 7.004 560 H THR 88 H THR 88 12.545 17.795 8.663 561 HA THR 88 HA THR 88 11.019 19.351 6.655 562 HB THR 88 HB THR 88 10.981 16.363 7.226 563 HG1 THR 88 HG1 THR 88 11.644 17.843 4.893 564 HG21 THR 88 HG21 THR 88 8.696 17.087 6.745 565 HG22 THR 88 HG22 THR 88 9.336 16.246 5.338 566 HG23 THR 88 HG23 THR 88 9.231 18.017 5.336 567 H LYS 89 H LYS 89 9.317 20.269 7.487 568 HA LYS 89 HA LYS 89 7.892 19.068 9.828 569 HB3 LYS 89 HB3 LYS 89 6.564 21.315 9.646 570 HG3 LYS 89 HG3 LYS 89 9.333 21.464 10.872 571 HD3 LYS 89 HD3 LYS 89 6.696 22.890 11.374 572 HE3 LYS 89 HE3 LYS 89 9.301 23.214 12.907 573 HZ1 LYS 89 HZ1 LYS 89 7.627 25.075 12.896 574 HZ2 LYS 89 HZ2 LYS 89 8.058 24.514 14.354 575 HZ3 LYS 89 HZ3 LYS 89 6.595 24.087 13.745 576 H VAL 90 H VAL 90 5.716 18.621 9.485 577 HA VAL 90 HA VAL 90 4.327 19.519 7.102 578 HB VAL 90 HB VAL 90 4.399 16.559 7.802 579 HG11 VAL 90 HG11 VAL 90 2.178 17.265 7.041 580 HG12 VAL 90 HG12 VAL 90 2.892 18.061 5.625 581 HG13 VAL 90 HG13 VAL 90 2.956 16.298 5.787 582 HG21 VAL 90 HG21 VAL 90 5.304 16.237 5.479 583 HG22 VAL 90 HG22 VAL 90 5.522 17.993 5.354 584 HG23 VAL 90 HG23 VAL 90 6.419 17.047 6.560 585 H ALA 91 H ALA 91 2.959 20.700 8.345 586 HA ALA 91 HA ALA 91 2.307 19.730 11.069 587 HB1 ALA 91 HB1 ALA 91 4.025 21.492 10.768 588 HB2 ALA 91 HB2 ALA 91 2.791 22.518 10.015 589 HB3 ALA 91 HB3 ALA 91 2.638 22.047 11.725 590 H ASP 92 H ASP 92 0.492 19.682 8.499 591 HA ASP 92 HA ASP 92 -1.768 21.353 9.512 592 HB3 ASP 92 HB3 ASP 92 -2.317 21.857 7.313 593 H SER 93 H SER 93 -3.798 20.388 9.724 594 HA SER 93 HA SER 93 -4.232 17.590 8.960 595 HB3 SER 93 HB3 SER 93 -2.952 17.104 10.701 596 HG SER 93 HG SER 93 -3.793 19.475 11.913 597 H SER 94 H SER 94 -5.760 19.035 7.866 598 HA SER 94 HA SER 94 -7.988 20.012 9.562 599 HB3 SER 94 HB3 SER 94 -6.773 21.784 8.705 600 HG SER 94 HG SER 94 -5.982 21.949 6.737 601 H LYS 95 H LYS 95 -8.926 17.900 9.495 602 HA LYS 95 HA LYS 95 -10.287 17.097 6.987 603 HB3 LYS 95 HB3 LYS 95 -11.157 15.230 8.531 604 HG3 LYS 95 HG3 LYS 95 -8.151 15.428 8.137 605 HD3 LYS 95 HD3 LYS 95 -10.166 13.200 8.501 606 HE3 LYS 95 HE3 LYS 95 -7.364 12.742 7.428 607 HZ1 LYS 95 HZ1 LYS 95 -8.384 10.659 6.792 608 HZ2 LYS 95 HZ2 LYS 95 -9.854 11.161 7.342 609 HZ3 LYS 95 HZ3 LYS 95 -8.625 10.909 8.419 610 H GLY 96 H GLY 96 -12.689 16.148 8.257 611 HA2 GLY 96 HA2 GLY 96 -14.306 17.603 9.709 612 HA3 GLY 96 HA3 GLY 96 -14.283 18.611 8.256 613 HA PRO 97 HA PRO 97 -17.351 15.783 6.780 614 HB3 PRO 97 HB3 PRO 97 -17.895 17.483 5.280 615 HG3 PRO 97 HG3 PRO 97 -16.200 18.651 4.041 616 HD3 PRO 97 HD3 PRO 97 -15.702 18.937 6.333 617 H ASP 98 H ASP 98 -17.622 13.716 5.814 618 HA ASP 98 HA ASP 98 -15.292 12.376 4.537 619 HB3 ASP 98 HB3 ASP 98 -16.813 11.171 6.877 620 H GLU 99 H GLU 99 -18.025 13.358 3.697 621 HA GLU 99 HA GLU 99 -19.951 11.275 4.003 622 HB3 GLU 99 HB3 GLU 99 -20.000 13.776 2.239 623 HG3 GLU 99 HG3 GLU 99 -22.164 11.905 3.323 624 H ALA 100 H ALA 100 -20.860 9.864 2.588 625 HA ALA 100 HA ALA 100 -19.810 9.574 -0.161 626 HB1 ALA 100 HB1 ALA 100 -18.340 8.286 1.424 627 HB2 ALA 100 HB2 ALA 100 -19.776 7.351 1.919 628 HB3 ALA 100 HB3 ALA 100 -19.203 7.278 0.248 629 H LYS 101 H LYS 101 -22.536 9.448 1.941 630 HA LYS 101 HA LYS 101 -24.091 7.681 0.115 631 HB3 LYS 101 HB3 LYS 101 -25.848 7.944 1.883 632 HG3 LYS 101 HG3 LYS 101 -23.116 6.883 2.790 633 HD3 LYS 101 HD3 LYS 101 -24.685 7.393 4.698 634 HE3 LYS 101 HE3 LYS 101 -26.310 5.010 3.718 635 HZ1 LYS 101 HZ1 LYS 101 -26.904 7.250 5.542 636 HZ2 LYS 101 HZ2 LYS 101 -26.630 5.668 6.037 637 HZ3 LYS 101 HZ3 LYS 101 -27.950 6.100 5.155 638 H ILE 102 H ILE 102 -24.205 9.100 -1.712 639 HA ILE 102 HA ILE 102 -25.956 11.455 -1.379 640 HB ILE 102 HB ILE 102 -23.618 12.048 -0.848 641 HG13 ILE 102 HG13 ILE 102 -25.376 13.650 -1.664 642 HG21 ILE 102 HG21 ILE 102 -22.930 11.715 -3.773 643 HG22 ILE 102 HG22 ILE 102 -21.874 12.269 -2.456 644 HG23 ILE 102 HG23 ILE 102 -22.431 10.606 -2.478 645 HD11 ILE 102 HD11 ILE 102 -22.560 14.487 -2.463 646 HD12 ILE 102 HD12 ILE 102 -23.920 15.528 -2.009 647 HD13 ILE 102 HD13 ILE 102 -23.184 14.474 -0.793 648 H LYS 103 H LYS 103 -24.146 9.396 -3.612 649 HA LYS 103 HA LYS 103 -25.666 10.305 -5.964 650 HB3 LYS 103 HB3 LYS 103 -24.666 7.786 -6.652 651 HG3 LYS 103 HG3 LYS 103 -24.485 10.040 -7.860 652 HD3 LYS 103 HD3 LYS 103 -21.948 10.094 -6.216 653 HE3 LYS 103 HE3 LYS 103 -22.640 12.060 -8.382 654 HZ1 LYS 103 HZ1 LYS 103 -20.672 12.161 -6.692 655 HZ2 LYS 103 HZ2 LYS 103 -20.431 12.621 -8.221 656 HZ3 LYS 103 HZ3 LYS 103 -19.937 11.133 -7.759 657 H ALA 104 H ALA 104 -25.738 7.356 -3.940 658 HA ALA 104 HA ALA 104 -27.902 6.175 -5.395 659 HB1 ALA 104 HB1 ALA 104 -26.721 5.481 -2.673 660 HB2 ALA 104 HB2 ALA 104 -27.786 4.448 -3.639 661 HB3 ALA 104 HB3 ALA 104 -26.185 4.850 -4.252 662 H LEU 105 H LEU 105 -28.672 8.848 -4.410 663 HA LEU 105 HA LEU 105 -30.109 8.582 -1.939 664 HB3 LEU 105 HB3 LEU 105 -30.772 10.826 -3.797 665 HG LEU 105 HG LEU 105 -31.306 10.781 -1.276 666 HD11 LEU 105 HD11 LEU 105 -28.276 11.198 -1.097 667 HD12 LEU 105 HD12 LEU 105 -29.175 9.818 -0.432 668 HD13 LEU 105 HD13 LEU 105 -29.413 11.433 0.233 669 HD21 LEU 105 HD21 LEU 105 -30.664 13.149 -0.963 670 HD22 LEU 105 HD22 LEU 105 -31.306 12.862 -2.590 671 HD23 LEU 105 HD23 LEU 105 -29.547 13.037 -2.340 672 H LEU 106 H LEU 106 -31.032 7.636 -5.129 673 HA LEU 106 HA LEU 106 -33.653 6.914 -4.148 674 HB3 LEU 106 HB3 LEU 106 -34.579 7.511 -6.463 675 HG LEU 106 HG LEU 106 -34.914 8.906 -4.173 676 HD11 LEU 106 HD11 LEU 106 -33.809 10.951 -6.168 677 HD12 LEU 106 HD12 LEU 106 -33.019 10.472 -4.653 678 HD13 LEU 106 HD13 LEU 106 -34.570 11.305 -4.601 679 HD21 LEU 106 HD21 LEU 106 -35.901 9.762 -6.928 680 HD22 LEU 106 HD22 LEU 106 -36.631 10.205 -5.369 681 HD23 LEU 106 HD23 LEU 106 -36.628 8.516 -5.886 682 H GLU 107 H GLU 107 -34.540 5.237 -5.649 683 HA GLU 107 HA GLU 107 -32.930 4.386 -7.868 684 HB3 GLU 107 HB3 GLU 107 -33.411 1.931 -7.281 685 HG3 GLU 107 HG3 GLU 107 -31.351 3.228 -5.465 686 H ARG 108 H ARG 108 -34.404 2.715 -9.097 687 HA ARG 108 HA ARG 108 -37.268 3.039 -8.768 688 HB3 ARG 108 HB3 ARG 108 -36.933 5.250 -9.619 689 HG3 ARG 108 HG3 ARG 108 -34.831 4.057 -11.342 690 HD3 ARG 108 HD3 ARG 108 -35.197 5.695 -13.185 691 HE ARG 108 HE ARG 108 -36.564 3.246 -12.797 692 HH11 ARG 108 HH11 ARG 108 -36.679 5.988 -15.028 693 HH12 ARG 108 HH12 ARG 108 -37.308 5.093 -16.363 694 HH21 ARG 108 HH21 ARG 108 -37.372 2.034 -14.497 695 HH22 ARG 108 HH22 ARG 108 -37.725 2.717 -16.044 696 H THR 109 H THR 109 -36.205 0.558 -8.756 697 HA THR 109 HA THR 109 -36.620 -0.619 -11.282 698 HB THR 109 HB THR 109 -34.367 0.255 -11.641 699 HG1 THR 109 HG1 THR 109 -33.318 -1.881 -11.739 700 HG21 THR 109 HG21 THR 109 -33.529 -1.164 -9.073 701 HG22 THR 109 HG22 THR 109 -33.550 0.588 -9.355 702 HG23 THR 109 HG23 THR 109 -32.439 -0.430 -10.266 703 H GLY 110 H GLY 110 -36.858 -2.786 -10.907 704 HA2 GLY 110 HA2 GLY 110 -36.242 -4.166 -8.525 705 HA3 GLY 110 HA3 GLY 110 -37.994 -3.941 -8.699 706 H TYR 111 H TYR 111 -36.914 -6.485 -8.897 707 HA TYR 111 HA TYR 111 -37.598 -7.307 -11.601 708 HB3 TYR 111 HB3 TYR 111 -35.496 -9.036 -10.838 709 HD1 TYR 111 HD1 TYR 111 -35.105 -5.682 -12.500 710 HD2 TYR 111 HD2 TYR 111 -35.390 -9.962 -13.019 711 HE1 TYR 111 HE1 TYR 111 -34.616 -5.427 -14.912 712 HE2 TYR 111 HE2 TYR 111 -34.878 -9.709 -15.405 713 HH TYR 111 HH TYR 111 -34.549 -8.223 -17.139 714 H THR 112 H THR 112 -37.982 -9.858 -11.457 715 HA THR 112 HA THR 112 -38.439 -10.890 -8.842 716 HB THR 112 HB THR 112 -40.347 -9.469 -8.866 717 HG1 THR 112 HG1 THR 112 -41.801 -11.653 -9.560 718 HG21 THR 112 HG21 THR 112 -41.090 -10.586 -11.572 719 HG22 THR 112 HG22 THR 112 -40.641 -8.899 -11.194 720 HG23 THR 112 HG23 THR 112 -42.139 -9.590 -10.569 721 H LEU 113 H LEU 113 -39.734 -13.038 -9.239 722 HA LEU 113 HA LEU 113 -37.950 -14.489 -11.134 723 HB3 LEU 113 HB3 LEU 113 -38.742 -16.420 -9.444 724 HG LEU 113 HG LEU 113 -36.645 -14.279 -9.104 725 HD11 LEU 113 HD11 LEU 113 -37.356 -14.738 -6.807 726 HD12 LEU 113 HD12 LEU 113 -35.756 -15.440 -7.125 727 HD13 LEU 113 HD13 LEU 113 -37.192 -16.488 -7.087 728 HD21 LEU 113 HD21 LEU 113 -36.360 -16.208 -10.714 729 HD22 LEU 113 HD22 LEU 113 -36.452 -17.309 -9.349 730 HD23 LEU 113 HD23 LEU 113 -35.110 -16.142 -9.449 731 H ASP 114 H ASP 114 -41.151 -13.513 -11.095 732 HA ASP 114 HA ASP 114 -42.267 -16.032 -12.103 733 HB3 ASP 114 HB3 ASP 114 -43.236 -15.001 -10.081 734 H VAL 115 H VAL 115 -41.887 -12.615 -12.998 735 HA VAL 115 HA VAL 115 -43.126 -13.242 -15.636 736 HB VAL 115 HB VAL 115 -44.589 -12.196 -13.953 737 HG11 VAL 115 HG11 VAL 115 -42.817 -9.752 -14.234 738 HG12 VAL 115 HG12 VAL 115 -44.397 -9.807 -13.418 739 HG13 VAL 115 HG13 VAL 115 -43.054 -10.740 -12.764 740 HG21 VAL 115 HG21 VAL 115 -44.211 -10.370 -16.319 741 HG22 VAL 115 HG22 VAL 115 -45.027 -11.952 -16.376 742 HG23 VAL 115 HG23 VAL 115 -45.686 -10.638 -15.371 743 H THR 116 H THR 116 -40.151 -12.354 -14.458 744 HA THR 116 HA THR 116 -39.518 -10.922 -16.966 745 HB THR 116 HB THR 116 -40.262 -9.206 -15.400 746 HG1 THR 116 HG1 THR 116 -37.531 -9.238 -16.008 747 HG21 THR 116 HG21 THR 116 -39.636 -10.214 -13.252 748 HG22 THR 116 HG22 THR 116 -38.964 -8.584 -13.434 749 HG23 THR 116 HG23 THR 116 -37.915 -10.005 -13.641 750 H THR 117 H THR 117 -38.753 -13.658 -15.777 751 HA THR 117 HA THR 117 -36.019 -13.389 -16.528 752 HB THR 117 HB THR 117 -36.138 -12.937 -13.986 753 HG1 THR 117 HG1 THR 117 -34.245 -13.638 -15.198 754 HG21 THR 117 HG21 THR 117 -37.742 -14.762 -13.412 755 HG22 THR 117 HG22 THR 117 -36.200 -14.806 -12.499 756 HG23 THR 117 HG23 THR 117 -36.481 -15.938 -13.810 757 H GLY 118 H GLY 118 -35.058 -15.839 -16.549 758 HA2 GLY 118 HA2 GLY 118 -36.493 -18.117 -16.788 759 HA3 GLY 118 HA3 GLY 118 -36.693 -17.243 -18.317 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 28.581 -7.756 -9.273 2 HA2 GLY 1 HA2 GLY 1 27.469 -9.396 -7.058 3 HA3 GLY 1 HA3 GLY 1 29.122 -9.593 -7.719 4 H SER 2 H SER 2 27.550 -8.283 -5.109 5 HA SER 2 HA SER 2 28.686 -5.558 -5.413 6 HB3 SER 2 HB3 SER 2 26.536 -4.729 -5.109 7 HG SER 2 HG SER 2 25.059 -6.093 -6.332 8 H GLU 3 H GLU 3 28.481 -4.274 -3.396 9 HA GLU 3 HA GLU 3 28.930 -5.744 -0.850 10 HB3 GLU 3 HB3 GLU 3 30.379 -3.965 -0.919 11 HG3 GLU 3 HG3 GLU 3 28.560 -2.559 -2.651 12 H ASN 4 H ASN 4 26.967 -2.883 -1.338 13 HA ASN 4 HA ASN 4 25.142 -2.085 -0.851 14 HB3 ASN 4 HB3 ASN 4 24.534 -4.044 -2.743 15 HD21 ASN 4 HD21 ASN 4 21.737 -2.871 -1.151 16 HD22 ASN 4 HD22 ASN 4 21.168 -4.384 -0.449 17 H PHE 5 H PHE 5 25.282 -5.318 0.431 18 HA PHE 5 HA PHE 5 23.224 -5.246 2.328 19 HB3 PHE 5 HB3 PHE 5 25.922 -6.661 2.366 20 HD1 PHE 5 HD1 PHE 5 22.386 -7.595 3.251 21 HD2 PHE 5 HD2 PHE 5 26.484 -7.253 4.579 22 HE1 PHE 5 HE1 PHE 5 21.771 -8.535 5.465 23 HE2 PHE 5 HE2 PHE 5 25.873 -8.287 6.745 24 HZ PHE 5 HZ PHE 5 23.530 -8.923 7.200 25 H GLN 6 H GLN 6 26.614 -4.389 2.786 26 HA GLN 6 HA GLN 6 26.310 -3.507 5.474 27 HB3 GLN 6 HB3 GLN 6 28.453 -2.916 3.375 28 HG3 GLN 6 HG3 GLN 6 28.650 -1.327 5.319 29 HE21 GLN 6 HE21 GLN 6 27.053 -1.480 7.036 30 HE22 GLN 6 HE22 GLN 6 27.311 -2.533 8.435 31 H THR 7 H THR 7 25.864 -1.742 2.346 32 HA THR 7 HA THR 7 26.284 0.795 3.657 33 HB THR 7 HB THR 7 26.648 0.070 1.187 34 HG1 THR 7 HG1 THR 7 26.935 2.019 0.766 35 HG21 THR 7 HG21 THR 7 25.047 0.587 -0.433 36 HG22 THR 7 HG22 THR 7 23.931 1.331 0.749 37 HG23 THR 7 HG23 THR 7 24.167 -0.409 0.708 38 H LEU 8 H LEU 8 23.452 -1.191 2.831 39 HA LEU 8 HA LEU 8 21.413 0.681 3.572 40 HB3 LEU 8 HB3 LEU 8 20.009 -1.446 3.871 41 HG LEU 8 HG LEU 8 21.780 -1.335 1.365 42 HD11 LEU 8 HD11 LEU 8 19.306 -2.905 2.106 43 HD12 LEU 8 HD12 LEU 8 20.895 -3.483 1.626 44 HD13 LEU 8 HD13 LEU 8 19.873 -2.674 0.422 45 HD21 LEU 8 HD21 LEU 8 19.031 -0.166 1.895 46 HD22 LEU 8 HD22 LEU 8 19.823 -0.278 0.308 47 HD23 LEU 8 HD23 LEU 8 20.545 0.726 1.559 48 H LEU 9 H LEU 9 23.277 -1.708 5.368 49 HA LEU 9 HA LEU 9 22.047 -1.360 7.932 50 HB3 LEU 9 HB3 LEU 9 24.586 -2.245 8.452 51 HG LEU 9 HG LEU 9 22.187 -3.745 7.335 52 HD11 LEU 9 HD11 LEU 9 24.193 -4.957 6.642 53 HD12 LEU 9 HD12 LEU 9 23.303 -5.870 7.874 54 HD13 LEU 9 HD13 LEU 9 24.796 -4.971 8.304 55 HD21 LEU 9 HD21 LEU 9 21.871 -2.900 9.564 56 HD22 LEU 9 HD22 LEU 9 23.496 -3.454 10.081 57 HD23 LEU 9 HD23 LEU 9 22.239 -4.625 9.722 58 H ASP 10 H ASP 10 24.200 0.605 6.159 59 HA ASP 10 HA ASP 10 24.764 2.383 8.496 60 HB3 ASP 10 HB3 ASP 10 25.946 2.632 5.727 61 H ALA 11 H ALA 11 22.356 2.046 6.239 62 HA ALA 11 HA ALA 11 22.022 4.958 5.731 63 HB1 ALA 11 HB1 ALA 11 20.755 2.582 4.358 64 HB2 ALA 11 HB2 ALA 11 20.638 4.282 3.881 65 HB3 ALA 11 HB3 ALA 11 22.202 3.453 3.814 66 H GLY 12 H GLY 12 21.037 2.925 8.076 67 HA2 GLY 12 HA2 GLY 12 19.438 3.940 9.671 68 HA3 GLY 12 HA3 GLY 12 18.341 4.190 8.333 69 H LEU 13 H LEU 13 19.463 1.301 7.365 70 HA LEU 13 HA LEU 13 16.911 0.239 8.351 71 HB3 LEU 13 HB3 LEU 13 17.032 -1.286 6.499 72 HG LEU 13 HG LEU 13 16.622 0.046 4.739 73 HD11 LEU 13 HD11 LEU 13 15.349 1.167 6.572 74 HD12 LEU 13 HD12 LEU 13 15.834 2.287 5.299 75 HD13 LEU 13 HD13 LEU 13 16.694 2.293 6.816 76 HD21 LEU 13 HD21 LEU 13 18.837 1.975 5.489 77 HD22 LEU 13 HD22 LEU 13 17.858 2.014 4.016 78 HD23 LEU 13 HD23 LEU 13 18.958 0.665 4.299 79 HA PRO 14 HA PRO 14 18.888 -2.792 10.895 80 HB3 PRO 14 HB3 PRO 14 16.759 -3.085 11.815 81 HG3 PRO 14 HG3 PRO 14 14.809 -3.225 10.474 82 HD3 PRO 14 HD3 PRO 14 15.839 -1.139 9.955 83 H GLN 15 H GLN 15 19.710 -4.948 10.838 84 HA GLN 15 HA GLN 15 20.874 -5.868 8.493 85 HB3 GLN 15 HB3 GLN 15 20.056 -7.322 11.058 86 HG3 GLN 15 HG3 GLN 15 22.191 -8.594 10.529 87 HE21 GLN 15 HE21 GLN 15 22.009 -10.349 8.307 88 HE22 GLN 15 HE22 GLN 15 20.476 -11.168 8.373 89 H LYS 16 H LYS 16 18.009 -7.185 10.070 90 HA LYS 16 HA LYS 16 17.538 -9.148 8.215 91 HB3 LYS 16 HB3 LYS 16 16.382 -9.204 10.291 92 HG3 LYS 16 HG3 LYS 16 14.517 -7.083 9.220 93 HD3 LYS 16 HD3 LYS 16 13.721 -8.743 11.018 94 HE3 LYS 16 HE3 LYS 16 15.493 -7.017 12.799 95 HZ1 LYS 16 HZ1 LYS 16 13.719 -8.337 13.924 96 HZ2 LYS 16 HZ2 LYS 16 15.249 -8.846 14.319 97 HZ3 LYS 16 HZ3 LYS 16 14.318 -9.685 13.240 98 H VAL 17 H VAL 17 16.570 -5.787 7.848 99 HA VAL 17 HA VAL 17 14.818 -6.225 5.585 100 HB VAL 17 HB VAL 17 16.234 -3.804 6.763 101 HG11 VAL 17 HG11 VAL 17 16.295 -3.235 4.466 102 HG12 VAL 17 HG12 VAL 17 14.619 -3.817 4.217 103 HG13 VAL 17 HG13 VAL 17 14.952 -2.373 5.204 104 HG21 VAL 17 HG21 VAL 17 14.197 -4.813 7.917 105 HG22 VAL 17 HG22 VAL 17 14.078 -3.104 7.440 106 HG23 VAL 17 HG23 VAL 17 13.305 -4.368 6.494 107 H ALA 18 H ALA 18 18.345 -5.505 6.060 108 HA ALA 18 HA ALA 18 18.977 -5.128 3.344 109 HB1 ALA 18 HB1 ALA 18 20.428 -4.481 5.270 110 HB2 ALA 18 HB2 ALA 18 20.790 -6.193 5.551 111 HB3 ALA 18 HB3 ALA 18 21.279 -5.421 4.034 112 H GLU 19 H GLU 19 18.842 -8.204 5.270 113 HA GLU 19 HA GLU 19 19.839 -9.798 3.087 114 HB3 GLU 19 HB3 GLU 19 18.750 -11.722 4.285 115 HG3 GLU 19 HG3 GLU 19 20.310 -10.020 6.218 116 H LYS 20 H LYS 20 16.643 -8.379 3.488 117 HA LYS 20 HA LYS 20 15.586 -10.258 1.429 118 HB3 LYS 20 HB3 LYS 20 13.454 -8.821 1.793 119 HG3 LYS 20 HG3 LYS 20 13.717 -11.245 2.265 120 HD3 LYS 20 HD3 LYS 20 13.874 -11.310 5.066 121 HE3 LYS 20 HE3 LYS 20 16.229 -12.286 4.700 122 HZ1 LYS 20 HZ1 LYS 20 14.283 -13.725 4.776 123 HZ2 LYS 20 HZ2 LYS 20 15.365 -14.239 3.640 124 HZ3 LYS 20 HZ3 LYS 20 14.035 -13.502 3.140 125 H LEU 21 H LEU 21 17.431 -7.528 1.497 126 HA LEU 21 HA LEU 21 16.171 -6.320 -0.896 127 HB3 LEU 21 HB3 LEU 21 18.092 -5.099 1.110 128 HG LEU 21 HG LEU 21 18.222 -3.648 -0.715 129 HD11 LEU 21 HD11 LEU 21 15.277 -4.136 -1.233 130 HD12 LEU 21 HD12 LEU 21 16.646 -4.415 -2.332 131 HD13 LEU 21 HD13 LEU 21 16.156 -2.770 -1.946 132 HD21 LEU 21 HD21 LEU 21 17.303 -2.694 1.511 133 HD22 LEU 21 HD22 LEU 21 15.740 -2.603 0.708 134 HD23 LEU 21 HD23 LEU 21 17.119 -1.673 0.068 135 H ASP 22 H ASP 22 19.165 -7.513 0.474 136 HA ASP 22 HA ASP 22 21.060 -6.841 -1.371 137 HB3 ASP 22 HB3 ASP 22 20.614 -9.456 0.139 138 H GLU 23 H GLU 23 18.975 -9.706 -1.685 139 HA GLU 23 HA GLU 23 19.986 -10.763 -3.966 140 HB3 GLU 23 HB3 GLU 23 17.094 -10.958 -4.140 141 HG3 GLU 23 HG3 GLU 23 19.280 -12.738 -3.011 142 H ILE 24 H ILE 24 17.988 -7.908 -3.721 143 HA ILE 24 HA ILE 24 17.237 -7.779 -6.496 144 HB ILE 24 HB ILE 24 17.141 -5.710 -4.267 145 HG13 ILE 24 HG13 ILE 24 15.719 -7.899 -3.982 146 HG21 ILE 24 HG21 ILE 24 15.503 -5.647 -6.796 147 HG22 ILE 24 HG22 ILE 24 15.708 -4.379 -5.570 148 HG23 ILE 24 HG23 ILE 24 17.057 -4.816 -6.610 149 HD11 ILE 24 HD11 ILE 24 13.607 -6.672 -3.412 150 HD12 ILE 24 HD12 ILE 24 15.064 -6.077 -2.635 151 HD13 ILE 24 HD13 ILE 24 14.372 -5.184 -3.992 152 H TYR 25 H TYR 25 19.883 -6.472 -4.458 153 HA TYR 25 HA TYR 25 20.973 -4.730 -6.568 154 HB3 TYR 25 HB3 TYR 25 22.898 -4.605 -4.862 155 HD1 TYR 25 HD1 TYR 25 19.470 -4.501 -3.362 156 HD2 TYR 25 HD2 TYR 25 22.784 -2.249 -4.956 157 HE1 TYR 25 HE1 TYR 25 18.367 -2.437 -2.697 158 HE2 TYR 25 HE2 TYR 25 21.699 -0.147 -4.228 159 HH TYR 25 HH TYR 25 18.402 -0.108 -2.851 160 H VAL 26 H VAL 26 21.186 -8.085 -5.739 161 HA VAL 26 HA VAL 26 23.827 -8.359 -7.033 162 HB VAL 26 HB VAL 26 22.070 -10.326 -5.522 163 HG11 VAL 26 HG11 VAL 26 24.061 -11.824 -5.591 164 HG12 VAL 26 HG12 VAL 26 23.423 -11.534 -7.208 165 HG13 VAL 26 HG13 VAL 26 24.886 -10.679 -6.669 166 HG21 VAL 26 HG21 VAL 26 23.121 -8.620 -4.067 167 HG22 VAL 26 HG22 VAL 26 23.940 -10.154 -3.845 168 HG23 VAL 26 HG23 VAL 26 24.676 -8.870 -4.849 169 H ALA 27 H ALA 27 20.363 -9.458 -7.527 170 HA ALA 27 HA ALA 27 21.402 -10.957 -9.830 171 HB1 ALA 27 HB1 ALA 27 20.119 -12.267 -8.372 172 HB2 ALA 27 HB2 ALA 27 18.785 -11.119 -8.337 173 HB3 ALA 27 HB3 ALA 27 19.133 -12.019 -9.825 174 H GLY 28 H GLY 28 21.282 -8.098 -9.978 175 HA2 GLY 28 HA2 GLY 28 20.951 -6.542 -11.670 176 HA3 GLY 28 HA3 GLY 28 20.505 -7.906 -12.679 177 H LEU 29 H LEU 29 18.504 -7.040 -9.766 178 HA LEU 29 HA LEU 29 16.332 -6.258 -11.545 179 HB3 LEU 29 HB3 LEU 29 15.353 -5.580 -9.199 180 HG LEU 29 HG LEU 29 15.856 -8.423 -10.100 181 HD11 LEU 29 HD11 LEU 29 15.577 -8.602 -7.701 182 HD12 LEU 29 HD12 LEU 29 14.060 -9.078 -8.445 183 HD13 LEU 29 HD13 LEU 29 14.229 -7.463 -7.707 184 HD21 LEU 29 HD21 LEU 29 13.511 -6.524 -10.258 185 HD22 LEU 29 HD22 LEU 29 13.341 -8.279 -10.497 186 HD23 LEU 29 HD23 LEU 29 14.381 -7.330 -11.559 187 H VAL 30 H VAL 30 18.866 -4.539 -9.684 188 HA VAL 30 HA VAL 30 17.493 -1.997 -10.440 189 HB VAL 30 HB VAL 30 18.169 -1.030 -8.304 190 HG11 VAL 30 HG11 VAL 30 15.846 -1.881 -8.588 191 HG12 VAL 30 HG12 VAL 30 16.311 -3.479 -8.140 192 HG13 VAL 30 HG13 VAL 30 16.360 -2.176 -6.924 193 HG21 VAL 30 HG21 VAL 30 19.943 -2.397 -7.499 194 HG22 VAL 30 HG22 VAL 30 18.631 -2.502 -6.337 195 HG23 VAL 30 HG23 VAL 30 18.920 -3.837 -7.467 196 H ALA 31 H ALA 31 18.792 0.001 -10.159 197 HA ALA 31 HA ALA 31 21.556 -0.462 -10.984 198 HB1 ALA 31 HB1 ALA 31 19.507 1.589 -11.898 199 HB2 ALA 31 HB2 ALA 31 21.182 1.544 -12.484 200 HB3 ALA 31 HB3 ALA 31 20.091 0.191 -12.844 201 H HIS 32 H HIS 32 21.213 -0.077 -8.333 202 HA HIS 32 HA HIS 32 21.529 0.955 -6.474 203 HB3 HIS 32 HB3 HIS 32 23.731 1.595 -7.804 204 HD1 HIS 32 HD1 HIS 32 22.820 4.716 -5.774 205 HD2 HIS 32 HD2 HIS 32 24.120 3.544 -9.580 206 HE1 HIS 32 HE1 HIS 32 23.410 6.845 -6.962 207 H SER 33 H SER 33 20.613 3.346 -9.016 208 HA SER 33 HA SER 33 19.430 5.012 -6.963 209 HB3 SER 33 HB3 SER 33 19.810 6.032 -9.739 210 HG SER 33 HG SER 33 19.258 7.554 -8.406 211 H ASP 34 H ASP 34 18.133 2.655 -8.076 212 HA ASP 34 HA ASP 34 16.249 3.214 -10.113 213 HB3 ASP 34 HB3 ASP 34 16.061 0.968 -8.133 214 H LEU 35 H LEU 35 16.015 4.807 -7.476 215 HA LEU 35 HA LEU 35 13.119 4.544 -7.040 216 HB3 LEU 35 HB3 LEU 35 13.465 4.997 -4.565 217 HG LEU 35 HG LEU 35 14.616 2.330 -5.471 218 HD11 LEU 35 HD11 LEU 35 13.894 1.484 -3.295 219 HD12 LEU 35 HD12 LEU 35 13.270 3.088 -2.840 220 HD13 LEU 35 HD13 LEU 35 15.009 2.829 -3.070 221 HD21 LEU 35 HD21 LEU 35 12.320 1.519 -5.082 222 HD22 LEU 35 HD22 LEU 35 12.400 2.654 -6.411 223 HD23 LEU 35 HD23 LEU 35 11.747 3.183 -4.839 224 H ASP 36 H ASP 36 12.195 6.497 -6.230 225 HA ASP 36 HA ASP 36 13.776 8.970 -6.690 226 HB3 ASP 36 HB3 ASP 36 11.612 10.132 -6.435 227 H GLU 37 H GLU 37 13.637 10.521 -4.873 228 HA GLU 37 HA GLU 37 14.446 9.397 -2.420 229 HB3 GLU 37 HB3 GLU 37 13.354 12.187 -2.944 230 HG3 GLU 37 HG3 GLU 37 14.933 10.923 -0.698 231 H ARG 38 H ARG 38 11.360 10.250 -3.595 232 HA ARG 38 HA ARG 38 9.778 10.477 -1.276 233 HB3 ARG 38 HB3 ARG 38 7.898 9.934 -2.817 234 HG3 ARG 38 HG3 ARG 38 10.091 11.538 -4.249 235 HD3 ARG 38 HD3 ARG 38 7.157 11.128 -4.918 236 HE ARG 38 HE ARG 38 8.989 13.259 -5.651 237 HH11 ARG 38 HH11 ARG 38 6.654 11.100 -7.183 238 HH12 ARG 38 HH12 ARG 38 5.950 12.313 -8.195 239 HH21 ARG 38 HH21 ARG 38 8.058 14.892 -6.938 240 HH22 ARG 38 HH22 ARG 38 6.809 14.551 -8.096 241 H ALA 39 H ALA 39 10.872 7.589 -3.086 242 HA ALA 39 HA ALA 39 9.323 5.763 -1.397 243 HB1 ALA 39 HB1 ALA 39 10.561 3.978 -2.557 244 HB2 ALA 39 HB2 ALA 39 9.864 5.083 -3.732 245 HB3 ALA 39 HB3 ALA 39 11.598 5.185 -3.345 246 H ILE 40 H ILE 40 12.688 7.071 -1.586 247 HA ILE 40 HA ILE 40 13.846 5.357 0.328 248 HB ILE 40 HB ILE 40 14.624 8.257 -0.170 249 HG13 ILE 40 HG13 ILE 40 16.357 7.248 -1.690 250 HG21 ILE 40 HG21 ILE 40 16.223 5.937 1.004 251 HG22 ILE 40 HG22 ILE 40 16.871 7.539 0.585 252 HG23 ILE 40 HG23 ILE 40 15.672 7.375 1.867 253 HD11 ILE 40 HD11 ILE 40 14.464 4.899 -1.934 254 HD12 ILE 40 HD12 ILE 40 16.041 5.136 -2.712 255 HD13 ILE 40 HD13 ILE 40 15.948 4.811 -0.969 256 H GLU 41 H GLU 41 12.376 8.610 0.890 257 HA GLU 41 HA GLU 41 12.728 8.726 3.695 258 HB3 GLU 41 HB3 GLU 41 10.404 9.898 3.546 259 HG3 GLU 41 HG3 GLU 41 12.484 11.224 1.795 260 H ALA 42 H ALA 42 10.003 7.315 1.847 261 HA ALA 42 HA ALA 42 8.609 6.471 4.210 262 HB1 ALA 42 HB1 ALA 42 7.485 6.881 2.052 263 HB2 ALA 42 HB2 ALA 42 8.379 5.530 1.323 264 HB3 ALA 42 HB3 ALA 42 7.197 5.222 2.619 265 H LEU 43 H LEU 43 11.276 5.126 2.500 266 HA LEU 43 HA LEU 43 10.923 2.428 3.615 267 HB3 LEU 43 HB3 LEU 43 12.926 1.949 2.059 268 HG LEU 43 HG LEU 43 10.306 2.922 0.942 269 HD11 LEU 43 HD11 LEU 43 12.476 1.385 -0.534 270 HD12 LEU 43 HD12 LEU 43 12.161 3.120 -0.721 271 HD13 LEU 43 HD13 LEU 43 10.904 1.963 -1.161 272 HD21 LEU 43 HD21 LEU 43 10.069 0.882 2.276 273 HD22 LEU 43 HD22 LEU 43 11.392 0.110 1.367 274 HD23 LEU 43 HD23 LEU 43 9.863 0.516 0.564 275 H LYS 44 H LYS 44 12.187 5.196 4.937 276 HA LYS 44 HA LYS 44 14.590 3.883 6.097 277 HB3 LYS 44 HB3 LYS 44 14.582 6.098 7.415 278 HG3 LYS 44 HG3 LYS 44 15.095 6.469 4.452 279 HD3 LYS 44 HD3 LYS 44 16.405 7.389 7.051 280 HE3 LYS 44 HE3 LYS 44 16.879 8.266 4.180 281 HZ1 LYS 44 HZ1 LYS 44 16.725 10.200 5.575 282 HZ2 LYS 44 HZ2 LYS 44 18.338 9.914 5.333 283 HZ3 LYS 44 HZ3 LYS 44 17.629 9.517 6.744 284 H GLU 45 H GLU 45 11.294 4.930 7.007 285 HA GLU 45 HA GLU 45 11.718 3.709 9.686 286 HB3 GLU 45 HB3 GLU 45 11.092 5.960 9.977 287 HG3 GLU 45 HG3 GLU 45 8.704 5.549 8.135 288 H PHE 46 H PHE 46 11.171 1.521 9.524 289 HA PHE 46 HA PHE 46 8.387 1.063 9.096 290 HB3 PHE 46 HB3 PHE 46 8.706 0.463 6.939 291 HD1 PHE 46 HD1 PHE 46 11.976 -0.673 8.556 292 HD2 PHE 46 HD2 PHE 46 9.859 0.384 4.937 293 HE1 PHE 46 HE1 PHE 46 14.082 -0.717 7.321 294 HE2 PHE 46 HE2 PHE 46 12.006 0.264 3.693 295 HZ PHE 46 HZ PHE 46 14.110 -0.252 4.869 296 H ASN 47 H ASN 47 7.790 -1.027 9.916 297 HA ASN 47 HA ASN 47 9.462 -1.996 12.109 298 HB3 ASN 47 HB3 ASN 47 7.089 -1.737 12.489 299 HD21 ASN 47 HD21 ASN 47 6.083 -4.798 11.523 300 HD22 ASN 47 HD22 ASN 47 5.129 -4.330 10.166 301 H GLU 48 H GLU 48 9.514 -4.375 12.320 302 HA GLU 48 HA GLU 48 11.157 -5.600 10.380 303 HB3 GLU 48 HB3 GLU 48 9.846 -6.295 13.017 304 HG3 GLU 48 HG3 GLU 48 11.465 -8.220 11.336 305 H ASP 49 H ASP 49 7.728 -5.478 10.297 306 HA ASP 49 HA ASP 49 7.827 -7.605 8.211 307 HB3 ASP 49 HB3 ASP 49 5.339 -7.026 9.719 308 H GLY 50 H GLY 50 7.892 -4.479 8.651 309 HA2 GLY 50 HA2 GLY 50 5.905 -3.540 6.716 310 HA3 GLY 50 HA3 GLY 50 7.235 -2.604 7.422 311 H ALA 51 H ALA 51 9.393 -3.012 6.632 312 HA ALA 51 HA ALA 51 9.544 -2.714 3.905 313 HB1 ALA 51 HB1 ALA 51 12.013 -3.964 4.993 314 HB2 ALA 51 HB2 ALA 51 11.801 -2.449 4.180 315 HB3 ALA 51 HB3 ALA 51 11.448 -2.565 5.926 316 H LEU 52 H LEU 52 10.116 -5.631 5.752 317 HA LEU 52 HA LEU 52 11.092 -7.416 3.855 318 HB3 LEU 52 HB3 LEU 52 9.940 -9.124 5.407 319 HG LEU 52 HG LEU 52 11.214 -8.788 7.424 320 HD11 LEU 52 HD11 LEU 52 13.440 -8.831 6.563 321 HD12 LEU 52 HD12 LEU 52 12.928 -8.012 5.070 322 HD13 LEU 52 HD13 LEU 52 12.337 -9.651 5.455 323 HD21 LEU 52 HD21 LEU 52 10.920 -6.325 7.691 324 HD22 LEU 52 HD22 LEU 52 12.168 -6.128 6.435 325 HD23 LEU 52 HD23 LEU 52 12.564 -6.946 7.973 326 H ALA 53 H ALA 53 7.685 -6.449 4.444 327 HA ALA 53 HA ALA 53 6.603 -8.645 2.842 328 HB1 ALA 53 HB1 ALA 53 4.454 -7.515 3.324 329 HB2 ALA 53 HB2 ALA 53 5.393 -7.748 4.809 330 HB3 ALA 53 HB3 ALA 53 5.310 -6.144 4.063 331 H VAL 54 H VAL 54 7.574 -5.283 2.503 332 HA VAL 54 HA VAL 54 6.087 -4.858 0.039 333 HB VAL 54 HB VAL 54 8.447 -3.170 1.010 334 HG11 VAL 54 HG11 VAL 54 7.339 -2.849 -1.271 335 HG12 VAL 54 HG12 VAL 54 5.896 -2.351 -0.386 336 HG13 VAL 54 HG13 VAL 54 7.401 -1.418 -0.215 337 HG21 VAL 54 HG21 VAL 54 7.081 -3.139 2.951 338 HG22 VAL 54 HG22 VAL 54 6.662 -1.679 2.093 339 HG23 VAL 54 HG23 VAL 54 5.581 -3.095 2.015 340 H LEU 55 H LEU 55 9.491 -5.388 0.963 341 HA LEU 55 HA LEU 55 10.617 -5.378 -1.640 342 HB3 LEU 55 HB3 LEU 55 12.459 -6.689 -0.470 343 HG LEU 55 HG LEU 55 11.541 -4.216 1.079 344 HD11 LEU 55 HD11 LEU 55 14.238 -5.564 0.757 345 HD12 LEU 55 HD12 LEU 55 13.252 -5.545 2.222 346 HD13 LEU 55 HD13 LEU 55 13.950 -4.035 1.620 347 HD21 LEU 55 HD21 LEU 55 13.104 -4.463 -1.504 348 HD22 LEU 55 HD22 LEU 55 13.198 -3.028 -0.448 349 HD23 LEU 55 HD23 LEU 55 11.659 -3.492 -1.177 350 H GLN 56 H GLN 56 9.180 -8.014 0.302 351 HA GLN 56 HA GLN 56 9.934 -10.131 -1.337 352 HB3 GLN 56 HB3 GLN 56 7.381 -9.701 0.269 353 HG3 GLN 56 HG3 GLN 56 6.981 -11.625 -1.152 354 HE21 GLN 56 HE21 GLN 56 8.704 -11.824 -2.825 355 HE22 GLN 56 HE22 GLN 56 10.059 -12.857 -2.617 356 H GLN 57 H GLN 57 6.824 -8.441 -1.496 357 HA GLN 57 HA GLN 57 5.935 -9.411 -4.020 358 HB3 GLN 57 HB3 GLN 57 4.753 -6.985 -3.982 359 HG3 GLN 57 HG3 GLN 57 3.264 -7.870 -2.102 360 HE21 GLN 57 HE21 GLN 57 3.206 -7.461 -5.111 361 HE22 GLN 57 HE22 GLN 57 2.122 -8.714 -5.624 362 H PHE 58 H PHE 58 8.090 -6.583 -3.313 363 HA PHE 58 HA PHE 58 8.109 -5.540 -5.941 364 HB3 PHE 58 HB3 PHE 58 10.352 -5.550 -3.913 365 HD1 PHE 58 HD1 PHE 58 8.709 -3.172 -6.427 366 HD2 PHE 58 HD2 PHE 58 12.360 -4.778 -4.767 367 HE1 PHE 58 HE1 PHE 58 9.984 -1.723 -7.876 368 HE2 PHE 58 HE2 PHE 58 13.661 -3.241 -6.218 369 HZ PHE 58 HZ PHE 58 12.486 -1.775 -7.836 370 H LYS 59 H LYS 59 10.268 -8.043 -4.495 371 HA LYS 59 HA LYS 59 11.784 -8.650 -6.825 372 HB3 LYS 59 HB3 LYS 59 12.072 -10.911 -5.759 373 HG3 LYS 59 HG3 LYS 59 12.390 -8.403 -4.086 374 HD3 LYS 59 HD3 LYS 59 12.149 -10.431 -2.558 375 HE3 LYS 59 HE3 LYS 59 14.773 -11.111 -3.983 376 HZ1 LYS 59 HZ1 LYS 59 15.009 -11.465 -1.594 377 HZ2 LYS 59 HZ2 LYS 59 14.923 -12.869 -2.400 378 HZ3 LYS 59 HZ3 LYS 59 13.609 -12.328 -1.553 379 H ASP 60 H ASP 60 8.543 -9.680 -5.838 380 HA ASP 60 HA ASP 60 8.331 -11.591 -8.041 381 HB3 ASP 60 HB3 ASP 60 6.094 -10.962 -6.102 382 H SER 61 H SER 61 8.126 -8.382 -8.210 383 HA SER 61 HA SER 61 5.444 -8.057 -9.311 384 HB3 SER 61 HB3 SER 61 6.194 -5.779 -9.821 385 HG SER 61 HG SER 61 6.716 -6.933 -7.285 386 H ASP 62 H ASP 62 4.953 -7.488 -11.333 387 HA ASP 62 HA ASP 62 6.273 -8.865 -13.555 388 HB3 ASP 62 HB3 ASP 62 3.779 -7.121 -13.311 389 H LEU 63 H LEU 63 8.275 -7.744 -13.641 390 HA LEU 63 HA LEU 63 8.202 -4.790 -14.017 391 HB3 LEU 63 HB3 LEU 63 10.658 -4.953 -13.550 392 HG LEU 63 HG LEU 63 8.924 -6.219 -11.391 393 HD11 LEU 63 HD11 LEU 63 11.684 -4.912 -11.243 394 HD12 LEU 63 HD12 LEU 63 11.270 -6.610 -10.931 395 HD13 LEU 63 HD13 LEU 63 10.665 -5.341 -9.854 396 HD21 LEU 63 HD21 LEU 63 8.081 -3.976 -12.029 397 HD22 LEU 63 HD22 LEU 63 9.706 -3.299 -11.764 398 HD23 LEU 63 HD23 LEU 63 8.781 -3.976 -10.416 399 H SER 64 H SER 64 8.174 -7.487 -16.030 400 HA SER 64 HA SER 64 10.336 -7.183 -17.691 401 HB3 SER 64 HB3 SER 64 8.902 -8.272 -19.435 402 HG SER 64 HG SER 64 9.774 -9.675 -18.013 403 H HIS 65 H HIS 65 7.656 -4.845 -17.598 404 HA HIS 65 HA HIS 65 8.866 -3.582 -20.017 405 HB3 HIS 65 HB3 HIS 65 6.762 -3.093 -20.954 406 HD1 HIS 65 HD1 HIS 65 8.316 -6.054 -21.199 407 HD2 HIS 65 HD2 HIS 65 4.256 -5.218 -20.415 408 HE1 HIS 65 HE1 HIS 65 7.004 -8.161 -21.783 409 H VAL 66 H VAL 66 8.591 -3.135 -16.789 410 HA VAL 66 HA VAL 66 7.243 -0.651 -16.546 411 HB VAL 66 HB VAL 66 7.894 -2.286 -14.716 412 HG11 VAL 66 HG11 VAL 66 10.031 -2.166 -13.673 413 HG12 VAL 66 HG12 VAL 66 10.308 -2.471 -15.402 414 HG13 VAL 66 HG13 VAL 66 10.565 -0.848 -14.742 415 HG21 VAL 66 HG21 VAL 66 8.676 0.599 -14.115 416 HG22 VAL 66 HG22 VAL 66 7.015 -0.024 -14.166 417 HG23 VAL 66 HG23 VAL 66 8.152 -0.629 -12.958 418 H GLN 67 H GLN 67 8.099 1.479 -16.266 419 HA GLN 67 HA GLN 67 10.710 1.958 -17.622 420 HB3 GLN 67 HB3 GLN 67 8.731 4.116 -16.985 421 HG3 GLN 67 HG3 GLN 67 11.016 4.626 -18.054 422 HE21 GLN 67 HE21 GLN 67 12.256 3.174 -19.323 423 HE22 GLN 67 HE22 GLN 67 11.885 2.767 -20.993 424 H ASN 68 H ASN 68 8.867 3.659 -14.975 425 HA ASN 68 HA ASN 68 11.398 4.029 -13.487 426 HB3 ASN 68 HB3 ASN 68 8.587 5.013 -12.810 427 HD21 ASN 68 HD21 ASN 68 9.244 7.494 -11.878 428 HD22 ASN 68 HD22 ASN 68 10.218 7.297 -10.436 429 H LYS 69 H LYS 69 11.959 2.367 -12.126 430 HA LYS 69 HA LYS 69 10.100 0.368 -11.241 431 HB3 LYS 69 HB3 LYS 69 12.303 0.407 -9.414 432 HG3 LYS 69 HG3 LYS 69 11.236 -1.461 -11.119 433 HD3 LYS 69 HD3 LYS 69 13.912 -0.593 -12.306 434 HE3 LYS 69 HE3 LYS 69 11.969 -2.746 -13.211 435 HZ1 LYS 69 HZ1 LYS 69 13.567 -1.513 -14.841 436 HZ2 LYS 69 HZ2 LYS 69 13.429 -3.156 -14.886 437 HZ3 LYS 69 HZ3 LYS 69 14.716 -2.478 -14.154 438 H SER 70 H SER 70 11.271 3.367 -9.662 439 HA SER 70 HA SER 70 10.398 2.964 -7.126 440 HB3 SER 70 HB3 SER 70 11.487 5.076 -8.247 441 HG SER 70 HG SER 70 10.024 6.813 -8.467 442 H ALA 71 H ALA 71 8.338 3.863 -9.852 443 HA ALA 71 HA ALA 71 6.002 4.514 -8.491 444 HB1 ALA 71 HB1 ALA 71 4.932 4.039 -10.690 445 HB2 ALA 71 HB2 ALA 71 6.549 4.774 -10.942 446 HB3 ALA 71 HB3 ALA 71 6.321 3.043 -11.160 447 H PHE 72 H PHE 72 7.294 1.268 -9.153 448 HA PHE 72 HA PHE 72 4.883 -0.165 -8.467 449 HB3 PHE 72 HB3 PHE 72 7.370 -1.691 -8.185 450 HD1 PHE 72 HD1 PHE 72 4.924 -2.948 -7.775 451 HD2 PHE 72 HD2 PHE 72 6.601 -1.781 -11.576 452 HE1 PHE 72 HE1 PHE 72 3.552 -4.666 -8.926 453 HE2 PHE 72 HE2 PHE 72 5.245 -3.497 -12.707 454 HZ PHE 72 HZ PHE 72 3.725 -4.960 -11.389 455 H LEU 73 H LEU 73 7.850 0.907 -6.651 456 HA LEU 73 HA LEU 73 7.125 -0.820 -4.414 457 HB3 LEU 73 HB3 LEU 73 9.387 1.162 -4.832 458 HG LEU 73 HG LEU 73 9.047 0.364 -2.441 459 HD11 LEU 73 HD11 LEU 73 9.614 -1.914 -1.839 460 HD12 LEU 73 HD12 LEU 73 9.980 -2.309 -3.529 461 HD13 LEU 73 HD13 LEU 73 8.312 -1.996 -3.047 462 HD21 LEU 73 HD21 LEU 73 11.582 -0.482 -3.899 463 HD22 LEU 73 HD22 LEU 73 11.447 -0.270 -2.140 464 HD23 LEU 73 HD23 LEU 73 11.224 1.117 -3.223 465 H CYS 74 H CYS 74 7.094 2.640 -5.226 466 HA CYS 74 HA CYS 74 5.743 3.579 -2.851 467 HB3 CYS 74 HB3 CYS 74 4.878 5.263 -4.806 468 HG CYS 74 HG CYS 74 6.245 6.077 -2.732 469 H GLY 75 H GLY 75 4.740 1.318 -5.197 470 HA2 GLY 75 HA2 GLY 75 1.858 1.808 -4.918 471 HA3 GLY 75 HA3 GLY 75 2.672 0.557 -5.881 472 H VAL 76 H VAL 76 4.159 -0.961 -4.400 473 HA VAL 76 HA VAL 76 2.251 -2.349 -2.872 474 HB VAL 76 HB VAL 76 5.255 -2.694 -2.979 475 HG11 VAL 76 HG11 VAL 76 4.969 -4.916 -2.113 476 HG12 VAL 76 HG12 VAL 76 4.265 -3.832 -0.931 477 HG13 VAL 76 HG13 VAL 76 3.200 -4.738 -2.011 478 HG21 VAL 76 HG21 VAL 76 2.915 -4.129 -4.351 479 HG22 VAL 76 HG22 VAL 76 4.042 -3.021 -5.153 480 HG23 VAL 76 HG23 VAL 76 4.613 -4.577 -4.526 481 H MET 77 H MET 77 4.778 -0.009 -1.648 482 HA MET 77 HA MET 77 4.367 -0.716 1.063 483 HB3 MET 77 HB3 MET 77 6.237 0.691 0.267 484 HG3 MET 77 HG3 MET 77 4.107 2.821 0.473 485 HE1 MET 77 HE1 MET 77 8.083 2.358 0.882 486 HE2 MET 77 HE2 MET 77 7.750 2.274 -0.883 487 HE3 MET 77 HE3 MET 77 8.602 3.674 -0.179 488 H LYS 78 H LYS 78 2.060 0.631 -1.036 489 HA LYS 78 HA LYS 78 0.426 1.785 1.170 490 HB3 LYS 78 HB3 LYS 78 -1.208 2.000 -0.883 491 HG3 LYS 78 HG3 LYS 78 -0.291 3.933 0.261 492 HD3 LYS 78 HD3 LYS 78 2.179 3.326 -1.340 493 HE3 LYS 78 HE3 LYS 78 1.432 5.509 -2.192 494 HZ1 LYS 78 HZ1 LYS 78 0.403 6.227 0.047 495 HZ2 LYS 78 HZ2 LYS 78 1.212 7.334 -0.854 496 HZ3 LYS 78 HZ3 LYS 78 1.938 6.686 0.451 497 H THR 79 H THR 79 0.160 -0.652 -1.528 498 HA THR 79 HA THR 79 -2.229 -1.746 -0.697 499 HB THR 79 HB THR 79 0.110 -3.157 -2.069 500 HG1 THR 79 HG1 THR 79 -0.353 -2.142 -3.837 501 HG21 THR 79 HG21 THR 79 -1.769 -4.664 -1.494 502 HG22 THR 79 HG22 THR 79 -1.647 -4.424 -3.244 503 HG23 THR 79 HG23 THR 79 -2.903 -3.569 -2.313 504 H TYR 80 H TYR 80 1.078 -2.850 0.275 505 HA TYR 80 HA TYR 80 0.164 -5.234 1.434 506 HB3 TYR 80 HB3 TYR 80 2.572 -4.258 0.894 507 HD1 TYR 80 HD1 TYR 80 2.849 -1.908 1.810 508 HD2 TYR 80 HD2 TYR 80 2.813 -5.327 4.402 509 HE1 TYR 80 HE1 TYR 80 3.960 -0.542 3.539 510 HE2 TYR 80 HE2 TYR 80 3.764 -3.978 6.203 511 HH TYR 80 HH TYR 80 3.698 -1.421 6.730 512 H ARG 81 H ARG 81 0.169 -1.936 2.676 513 HA ARG 81 HA ARG 81 -0.009 -2.567 5.406 514 HB3 ARG 81 HB3 ARG 81 -0.783 -0.263 5.754 515 HG3 ARG 81 HG3 ARG 81 1.260 -0.305 3.520 516 HD3 ARG 81 HD3 ARG 81 0.817 1.510 5.921 517 HE ARG 81 HE ARG 81 2.917 1.884 3.849 518 HH11 ARG 81 HH11 ARG 81 2.462 0.515 7.091 519 HH12 ARG 81 HH12 ARG 81 3.832 1.229 7.780 520 HH21 ARG 81 HH21 ARG 81 4.738 2.995 4.785 521 HH22 ARG 81 HH22 ARG 81 5.230 2.603 6.402 522 H GLN 82 H GLN 82 -2.400 -2.964 2.947 523 HA GLN 82 HA GLN 82 -4.730 -2.568 4.521 524 HB3 GLN 82 HB3 GLN 82 -4.505 -2.953 2.004 525 HG3 GLN 82 HG3 GLN 82 -4.805 -5.851 2.858 526 HE21 GLN 82 HE21 GLN 82 -3.441 -4.618 -0.119 527 HE22 GLN 82 HE22 GLN 82 -4.768 -5.159 -1.167 528 H ARG 83 H ARG 83 -2.279 -5.128 4.543 529 HA ARG 83 HA ARG 83 -3.833 -6.750 6.466 530 HB3 ARG 83 HB3 ARG 83 -1.778 -8.192 6.447 531 HG3 ARG 83 HG3 ARG 83 -3.803 -8.185 4.644 532 HD3 ARG 83 HD3 ARG 83 -2.445 -6.887 2.957 533 HE ARG 83 HE ARG 83 -0.399 -8.682 3.698 534 HH11 ARG 83 HH11 ARG 83 -1.698 -7.514 0.572 535 HH12 ARG 83 HH12 ARG 83 -0.095 -7.261 -0.063 536 HH21 ARG 83 HH21 ARG 83 1.515 -8.638 2.770 537 HH22 ARG 83 HH22 ARG 83 1.822 -8.075 1.157 538 H GLU 84 H GLU 84 -1.960 -3.930 6.968 539 HA GLU 84 HA GLU 84 -1.540 -4.834 9.784 540 HB3 GLU 84 HB3 GLU 84 0.577 -4.083 8.688 541 HG3 GLU 84 HG3 GLU 84 -0.754 -1.333 8.782 542 H LYS 85 H LYS 85 -3.623 -3.246 7.772 543 HA LYS 85 HA LYS 85 -4.374 -0.969 9.295 544 HB3 LYS 85 HB3 LYS 85 -6.589 -2.177 7.791 545 HG3 LYS 85 HG3 LYS 85 -5.962 0.332 8.155 546 HD3 LYS 85 HD3 LYS 85 -4.417 -0.343 5.604 547 HE3 LYS 85 HE3 LYS 85 -4.958 2.326 6.976 548 HZ1 LYS 85 HZ1 LYS 85 -4.080 3.200 4.922 549 HZ2 LYS 85 HZ2 LYS 85 -3.733 1.692 4.371 550 HZ3 LYS 85 HZ3 LYS 85 -2.935 2.296 5.725 551 H GLN 86 H GLN 86 -6.617 -0.719 10.120 552 HA GLN 86 HA GLN 86 -7.622 -2.569 12.091 553 HB3 GLN 86 HB3 GLN 86 -9.638 -1.133 11.891 554 HG3 GLN 86 HG3 GLN 86 -6.976 0.278 12.093 555 HE21 GLN 86 HE21 GLN 86 -10.350 1.436 12.468 556 HE22 GLN 86 HE22 GLN 86 -10.217 2.741 11.297 557 H GLY 87 H GLY 87 -8.103 -4.561 11.449 558 HA2 GLY 87 HA2 GLY 87 -10.121 -5.182 9.473 559 HA3 GLY 87 HA3 GLY 87 -8.483 -5.659 8.977 560 H THR 88 H THR 88 -9.833 -5.528 12.334 561 HA THR 88 HA THR 88 -9.966 -8.407 12.517 562 HB THR 88 HB THR 88 -7.553 -7.985 12.769 563 HG1 THR 88 HG1 THR 88 -8.070 -8.646 15.356 564 HG21 THR 88 HG21 THR 88 -8.280 -6.270 15.173 565 HG22 THR 88 HG22 THR 88 -7.492 -5.722 13.680 566 HG23 THR 88 HG23 THR 88 -6.660 -6.846 14.766 567 H LYS 89 H LYS 89 -10.314 -8.817 14.958 568 HA LYS 89 HA LYS 89 -12.768 -7.427 15.770 569 HB3 LYS 89 HB3 LYS 89 -12.301 -9.152 17.811 570 HG3 LYS 89 HG3 LYS 89 -13.363 -10.997 16.369 571 HD3 LYS 89 HD3 LYS 89 -15.517 -9.641 16.000 572 HE3 LYS 89 HE3 LYS 89 -15.552 -8.880 18.568 573 HZ1 LYS 89 HZ1 LYS 89 -16.712 -10.742 17.967 574 HZ2 LYS 89 HZ2 LYS 89 -15.702 -11.318 19.141 575 HZ3 LYS 89 HZ3 LYS 89 -15.404 -11.619 17.539 576 H VAL 90 H VAL 90 -11.971 -5.357 16.119 577 HA VAL 90 HA VAL 90 -10.887 -4.956 18.847 578 HB VAL 90 HB VAL 90 -9.910 -2.769 17.848 579 HG11 VAL 90 HG11 VAL 90 -8.504 -4.398 18.898 580 HG12 VAL 90 HG12 VAL 90 -8.545 -5.453 17.471 581 HG13 VAL 90 HG13 VAL 90 -7.719 -3.888 17.401 582 HG21 VAL 90 HG21 VAL 90 -10.764 -3.117 15.530 583 HG22 VAL 90 HG22 VAL 90 -9.002 -2.895 15.596 584 HG23 VAL 90 HG23 VAL 90 -9.670 -4.507 15.358 585 H ALA 91 H ALA 91 -13.093 -5.064 19.312 586 HA ALA 91 HA ALA 91 -15.000 -3.057 18.244 587 HB1 ALA 91 HB1 ALA 91 -16.088 -5.160 18.701 588 HB2 ALA 91 HB2 ALA 91 -15.120 -5.427 20.180 589 HB3 ALA 91 HB3 ALA 91 -16.361 -4.183 20.153 590 H ASP 92 H ASP 92 -14.700 -0.997 19.166 591 HA ASP 92 HA ASP 92 -14.458 -0.942 22.088 592 HB3 ASP 92 HB3 ASP 92 -12.259 0.364 20.450 593 H SER 93 H SER 93 -15.853 0.605 19.371 594 HA SER 93 HA SER 93 -16.313 2.991 20.860 595 HB3 SER 93 HB3 SER 93 -14.109 3.605 20.231 596 HG SER 93 HG SER 93 -13.458 3.740 18.104 597 H SER 94 H SER 94 -17.843 4.310 19.935 598 HA SER 94 HA SER 94 -19.682 3.140 17.965 599 HB3 SER 94 HB3 SER 94 -21.215 2.775 20.078 600 HG SER 94 HG SER 94 -20.428 1.076 18.836 601 H LYS 95 H LYS 95 -20.100 5.121 17.052 602 HA LYS 95 HA LYS 95 -21.430 7.139 18.679 603 HB3 LYS 95 HB3 LYS 95 -19.816 7.387 16.073 604 HG3 LYS 95 HG3 LYS 95 -21.196 9.376 17.851 605 HD3 LYS 95 HD3 LYS 95 -19.510 9.660 15.330 606 HE3 LYS 95 HE3 LYS 95 -21.051 11.950 16.604 607 HZ1 LYS 95 HZ1 LYS 95 -20.567 12.948 14.487 608 HZ2 LYS 95 HZ2 LYS 95 -19.895 11.537 13.902 609 HZ3 LYS 95 HZ3 LYS 95 -19.171 12.362 15.099 610 H GLY 96 H GLY 96 -23.490 7.604 17.803 611 HA2 GLY 96 HA2 GLY 96 -24.395 6.042 15.407 612 HA3 GLY 96 HA3 GLY 96 -25.420 6.598 16.722 613 HA PRO 97 HA PRO 97 -24.595 10.484 13.947 614 HB3 PRO 97 HB3 PRO 97 -22.636 10.315 12.664 615 HG3 PRO 97 HG3 PRO 97 -21.830 8.193 11.932 616 HD3 PRO 97 HD3 PRO 97 -22.122 7.826 14.233 617 H ASP 98 H ASP 98 -26.222 11.168 12.312 618 HA ASP 98 HA ASP 98 -26.526 9.326 10.273 619 HB3 ASP 98 HB3 ASP 98 -29.265 10.312 11.089 620 H GLU 99 H GLU 99 -27.311 10.509 8.342 621 HA GLU 99 HA GLU 99 -28.254 13.132 8.444 622 HB3 GLU 99 HB3 GLU 99 -25.436 13.016 7.297 623 HG3 GLU 99 HG3 GLU 99 -27.007 15.432 8.288 624 H ALA 100 H ALA 100 -29.430 13.349 6.486 625 HA ALA 100 HA ALA 100 -28.808 11.604 4.200 626 HB1 ALA 100 HB1 ALA 100 -30.411 10.424 5.670 627 HB2 ALA 100 HB2 ALA 100 -31.465 11.853 5.692 628 HB3 ALA 100 HB3 ALA 100 -31.203 10.967 4.175 629 H LYS 101 H LYS 101 -28.554 13.034 2.625 630 HA LYS 101 HA LYS 101 -29.835 15.708 2.818 631 HB3 LYS 101 HB3 LYS 101 -27.888 16.561 1.723 632 HG3 LYS 101 HG3 LYS 101 -27.888 15.680 4.285 633 HD3 LYS 101 HD3 LYS 101 -26.811 13.458 3.440 634 HE3 LYS 101 HE3 LYS 101 -25.085 14.530 1.949 635 HZ1 LYS 101 HZ1 LYS 101 -24.288 16.299 3.352 636 HZ2 LYS 101 HZ2 LYS 101 -23.058 15.212 3.200 637 HZ3 LYS 101 HZ3 LYS 101 -23.965 15.277 4.584 638 H ILE 102 H ILE 102 -31.479 15.945 1.452 639 HA ILE 102 HA ILE 102 -32.485 14.362 -0.465 640 HB ILE 102 HB ILE 102 -32.612 17.397 -0.376 641 HG13 ILE 102 HG13 ILE 102 -33.373 16.039 1.679 642 HG21 ILE 102 HG21 ILE 102 -34.399 15.424 -1.871 643 HG22 ILE 102 HG22 ILE 102 -34.773 17.146 -1.638 644 HG23 ILE 102 HG23 ILE 102 -33.384 16.687 -2.588 645 HD11 ILE 102 HD11 ILE 102 -35.383 17.271 2.073 646 HD12 ILE 102 HD12 ILE 102 -34.236 18.333 1.237 647 HD13 ILE 102 HD13 ILE 102 -35.607 17.615 0.356 648 H LYS 103 H LYS 103 -30.663 17.242 -1.531 649 HA LYS 103 HA LYS 103 -29.593 17.856 -3.393 650 HB3 LYS 103 HB3 LYS 103 -28.853 15.954 -5.069 651 HG3 LYS 103 HG3 LYS 103 -26.901 15.413 -3.460 652 HD3 LYS 103 HD3 LYS 103 -27.511 18.305 -4.200 653 HE3 LYS 103 HE3 LYS 103 -24.858 16.863 -3.755 654 HZ1 LYS 103 HZ1 LYS 103 -24.617 18.585 -5.365 655 HZ2 LYS 103 HZ2 LYS 103 -24.020 19.169 -3.972 656 HZ3 LYS 103 HZ3 LYS 103 -25.479 19.677 -4.448 657 H ALA 104 H ALA 104 -31.733 15.125 -4.139 658 HA ALA 104 HA ALA 104 -33.512 16.865 -5.615 659 HB1 ALA 104 HB1 ALA 104 -31.939 16.240 -7.439 660 HB2 ALA 104 HB2 ALA 104 -32.177 14.517 -7.054 661 HB3 ALA 104 HB3 ALA 104 -33.525 15.485 -7.684 662 H LEU 105 H LEU 105 -35.590 15.708 -6.037 663 HA LEU 105 HA LEU 105 -35.869 12.966 -5.352 664 HB3 LEU 105 HB3 LEU 105 -36.065 14.058 -3.102 665 HG LEU 105 HG LEU 105 -37.517 16.092 -4.067 666 HD11 LEU 105 HD11 LEU 105 -39.957 15.723 -3.649 667 HD12 LEU 105 HD12 LEU 105 -39.649 13.988 -3.406 668 HD13 LEU 105 HD13 LEU 105 -39.391 14.741 -4.986 669 HD21 LEU 105 HD21 LEU 105 -36.839 15.820 -1.714 670 HD22 LEU 105 HD22 LEU 105 -38.181 14.692 -1.440 671 HD23 LEU 105 HD23 LEU 105 -38.503 16.395 -1.832 672 H LEU 106 H LEU 106 -37.847 12.189 -6.427 673 HA LEU 106 HA LEU 106 -39.689 14.082 -7.572 674 HB3 LEU 106 HB3 LEU 106 -38.144 12.299 -9.518 675 HG LEU 106 HG LEU 106 -39.904 14.772 -9.914 676 HD11 LEU 106 HD11 LEU 106 -37.931 14.753 -11.397 677 HD12 LEU 106 HD12 LEU 106 -39.426 14.516 -12.308 678 HD13 LEU 106 HD13 LEU 106 -38.365 13.127 -11.966 679 HD21 LEU 106 HD21 LEU 106 -41.253 13.248 -11.420 680 HD22 LEU 106 HD22 LEU 106 -41.385 12.877 -9.707 681 HD23 LEU 106 HD23 LEU 106 -40.346 11.872 -10.743 682 H GLU 107 H GLU 107 -41.553 13.015 -6.976 683 HA GLU 107 HA GLU 107 -41.980 10.365 -7.966 684 HB3 GLU 107 HB3 GLU 107 -42.881 10.690 -5.115 685 HG3 GLU 107 HG3 GLU 107 -42.447 8.284 -4.992 686 H ARG 108 H ARG 108 -44.365 10.067 -8.070 687 HA ARG 108 HA ARG 108 -46.203 12.213 -7.472 688 HB3 ARG 108 HB3 ARG 108 -45.030 13.294 -9.336 689 HG3 ARG 108 HG3 ARG 108 -45.787 10.832 -10.983 690 HD3 ARG 108 HD3 ARG 108 -44.442 13.455 -11.725 691 HE ARG 108 HE ARG 108 -43.961 10.951 -12.792 692 HH11 ARG 108 HH11 ARG 108 -45.270 13.974 -14.031 693 HH12 ARG 108 HH12 ARG 108 -44.680 13.808 -15.646 694 HH21 ARG 108 HH21 ARG 108 -43.103 10.671 -14.930 695 HH22 ARG 108 HH22 ARG 108 -43.388 11.833 -16.171 696 H THR 109 H THR 109 -45.761 8.989 -7.614 697 HA THR 109 HA THR 109 -48.122 8.389 -9.264 698 HB THR 109 HB THR 109 -45.917 6.536 -9.764 699 HG1 THR 109 HG1 THR 109 -44.544 8.269 -9.351 700 HG21 THR 109 HG21 THR 109 -47.320 8.546 -11.589 701 HG22 THR 109 HG22 THR 109 -47.822 6.864 -11.285 702 HG23 THR 109 HG23 THR 109 -46.296 7.188 -12.122 703 H GLY 110 H GLY 110 -47.027 7.967 -6.350 704 HA2 GLY 110 HA2 GLY 110 -47.410 5.150 -5.890 705 HA3 GLY 110 HA3 GLY 110 -47.383 6.403 -4.655 706 H TYR 111 H TYR 111 -49.522 4.766 -7.054 707 HA TYR 111 HA TYR 111 -51.602 4.705 -5.024 708 HB3 TYR 111 HB3 TYR 111 -52.251 6.715 -6.280 709 HD1 TYR 111 HD1 TYR 111 -50.771 7.443 -8.125 710 HD2 TYR 111 HD2 TYR 111 -53.713 4.347 -8.695 711 HE1 TYR 111 HE1 TYR 111 -50.528 7.677 -10.586 712 HE2 TYR 111 HE2 TYR 111 -53.481 4.553 -11.136 713 HH TYR 111 HH TYR 111 -52.412 5.642 -12.856 714 H THR 112 H THR 112 -53.464 3.184 -6.013 715 HA THR 112 HA THR 112 -52.456 1.212 -7.890 716 HB THR 112 HB THR 112 -53.535 -0.208 -5.590 717 HG1 THR 112 HG1 THR 112 -51.922 0.059 -4.172 718 HG21 THR 112 HG21 THR 112 -50.757 -0.275 -6.864 719 HG22 THR 112 HG22 THR 112 -52.170 -1.174 -7.467 720 HG23 THR 112 HG23 THR 112 -51.509 -1.555 -5.874 721 H LEU 113 H LEU 113 -54.532 -0.683 -7.678 722 HA LEU 113 HA LEU 113 -56.841 1.001 -8.542 723 HB3 LEU 113 HB3 LEU 113 -56.155 -1.910 -9.119 724 HG LEU 113 HG LEU 113 -58.558 -1.497 -9.574 725 HD11 LEU 113 HD11 LEU 113 -58.590 0.931 -9.917 726 HD12 LEU 113 HD12 LEU 113 -59.205 0.131 -11.359 727 HD13 LEU 113 HD13 LEU 113 -57.546 0.779 -11.349 728 HD21 LEU 113 HD21 LEU 113 -56.868 -1.618 -12.098 729 HD22 LEU 113 HD22 LEU 113 -58.560 -2.146 -11.925 730 HD23 LEU 113 HD23 LEU 113 -57.280 -2.986 -11.038 731 H ASP 114 H ASP 114 -55.715 -0.743 -6.035 732 HA ASP 114 HA ASP 114 -58.161 -2.134 -5.174 733 HB3 ASP 114 HB3 ASP 114 -56.577 -3.576 -6.249 734 H VAL 115 H VAL 115 -56.315 0.412 -4.197 735 HA VAL 115 HA VAL 115 -56.222 -0.389 -1.336 736 HB VAL 115 HB VAL 115 -54.663 1.531 -1.076 737 HG11 VAL 115 HG11 VAL 115 -53.761 -0.591 -3.066 738 HG12 VAL 115 HG12 VAL 115 -52.709 0.390 -2.017 739 HG13 VAL 115 HG13 VAL 115 -53.840 -0.780 -1.311 740 HG21 VAL 115 HG21 VAL 115 -55.296 2.861 -3.079 741 HG22 VAL 115 HG22 VAL 115 -53.558 2.529 -3.018 742 HG23 VAL 115 HG23 VAL 115 -54.595 1.618 -4.128 743 H THR 116 H THR 116 -56.944 1.130 0.224 744 HA THR 116 HA THR 116 -59.313 2.645 -0.518 745 HB THR 116 HB THR 116 -59.394 1.256 1.412 746 HG1 THR 116 HG1 THR 116 -59.239 3.980 2.057 747 HG21 THR 116 HG21 THR 116 -58.044 1.612 3.453 748 HG22 THR 116 HG22 THR 116 -57.004 2.744 2.569 749 HG23 THR 116 HG23 THR 116 -57.070 1.031 2.101 750 H THR 117 H THR 117 -57.595 3.881 -1.997 751 HA THR 117 HA THR 117 -56.363 6.179 -0.644 752 HB THR 117 HB THR 117 -55.410 5.119 -2.675 753 HG1 THR 117 HG1 THR 117 -56.042 7.806 -3.283 754 HG21 THR 117 HG21 THR 117 -57.446 4.630 -3.977 755 HG22 THR 117 HG22 THR 117 -56.275 5.591 -4.895 756 HG23 THR 117 HG23 THR 117 -57.711 6.373 -4.210 757 H GLY 118 H GLY 118 -57.084 8.327 -1.690 758 HA2 GLY 118 HA2 GLY 118 -59.781 8.451 -2.652 759 HA3 GLY 118 HA3 GLY 118 -59.277 9.733 -1.515 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 29.704 -7.664 1.421 2 HA2 GLY 1 HA2 GLY 1 28.383 -7.138 -0.608 3 HA3 GLY 1 HA3 GLY 1 27.009 -6.864 0.472 4 H SER 2 H SER 2 26.758 -4.740 -0.110 5 HA SER 2 HA SER 2 28.760 -2.713 -0.132 6 HB3 SER 2 HB3 SER 2 26.694 -2.478 -1.369 7 HG SER 2 HG SER 2 25.292 -3.759 -0.148 8 H GLU 3 H GLU 3 28.800 -0.851 1.398 9 HA GLU 3 HA GLU 3 28.696 -1.630 4.220 10 HB3 GLU 3 HB3 GLU 3 30.224 0.149 3.339 11 HG3 GLU 3 HG3 GLU 3 27.745 1.937 3.424 12 H ASN 4 H ASN 4 26.571 -0.075 1.883 13 HA ASN 4 HA ASN 4 24.650 0.907 3.748 14 HB3 ASN 4 HB3 ASN 4 24.982 1.792 1.457 15 HD21 ASN 4 HD21 ASN 4 22.701 -1.106 1.165 16 HD22 ASN 4 HD22 ASN 4 23.309 -1.425 -0.444 17 H PHE 5 H PHE 5 25.336 -2.204 3.493 18 HA PHE 5 HA PHE 5 22.619 -3.368 3.610 19 HB3 PHE 5 HB3 PHE 5 25.492 -4.323 3.983 20 HD1 PHE 5 HD1 PHE 5 22.081 -5.875 3.391 21 HD2 PHE 5 HD2 PHE 5 25.990 -6.219 5.183 22 HE1 PHE 5 HE1 PHE 5 21.478 -8.106 4.311 23 HE2 PHE 5 HE2 PHE 5 25.373 -8.429 6.122 24 HZ PHE 5 HZ PHE 5 23.122 -9.379 5.670 25 H GLN 6 H GLN 6 25.257 -2.254 5.695 26 HA GLN 6 HA GLN 6 24.278 -3.523 8.108 27 HB3 GLN 6 HB3 GLN 6 26.362 -1.334 7.632 28 HG3 GLN 6 HG3 GLN 6 25.804 -1.320 10.020 29 HE21 GLN 6 HE21 GLN 6 24.073 -2.859 10.614 30 HE22 GLN 6 HE22 GLN 6 24.506 -4.393 11.378 31 H THR 7 H THR 7 23.898 -0.250 6.680 32 HA THR 7 HA THR 7 22.899 1.059 8.894 33 HB THR 7 HB THR 7 23.295 2.268 6.843 34 HG1 THR 7 HG1 THR 7 21.380 3.478 6.766 35 HG21 THR 7 HG21 THR 7 22.679 0.566 5.168 36 HG22 THR 7 HG22 THR 7 21.942 2.130 4.822 37 HG23 THR 7 HG23 THR 7 20.958 0.816 5.511 38 H LEU 8 H LEU 8 20.915 -0.953 6.610 39 HA LEU 8 HA LEU 8 18.463 -0.543 7.705 40 HB3 LEU 8 HB3 LEU 8 18.022 -2.807 6.683 41 HG LEU 8 HG LEU 8 18.473 -2.337 4.564 42 HD11 LEU 8 HD11 LEU 8 18.380 0.041 3.969 43 HD12 LEU 8 HD12 LEU 8 18.798 0.461 5.638 44 HD13 LEU 8 HD13 LEU 8 17.282 -0.383 5.296 45 HD21 LEU 8 HD21 LEU 8 21.128 -1.319 4.970 46 HD22 LEU 8 HD22 LEU 8 20.225 -1.354 3.440 47 HD23 LEU 8 HD23 LEU 8 20.567 -2.831 4.271 48 H LEU 9 H LEU 9 20.918 -2.905 8.635 49 HA LEU 9 HA LEU 9 19.447 -4.316 10.622 50 HB3 LEU 9 HB3 LEU 9 21.946 -4.927 11.277 51 HG LEU 9 HG LEU 9 20.338 -5.636 8.835 52 HD11 LEU 9 HD11 LEU 9 22.577 -5.388 7.867 53 HD12 LEU 9 HD12 LEU 9 22.050 -7.062 7.884 54 HD13 LEU 9 HD13 LEU 9 23.242 -6.488 9.093 55 HD21 LEU 9 HD21 LEU 9 21.706 -7.210 11.076 56 HD22 LEU 9 HD22 LEU 9 20.764 -7.928 9.773 57 HD23 LEU 9 HD23 LEU 9 19.969 -6.842 10.930 58 H ASP 10 H ASP 10 21.030 -1.182 10.770 59 HA ASP 10 HA ASP 10 20.868 -1.288 13.750 60 HB3 ASP 10 HB3 ASP 10 22.281 0.945 12.368 61 H ALA 11 H ALA 11 19.365 0.022 11.002 62 HA ALA 11 HA ALA 11 18.448 2.512 12.143 63 HB1 ALA 11 HB1 ALA 11 18.965 2.182 9.760 64 HB2 ALA 11 HB2 ALA 11 17.704 0.942 9.643 65 HB3 ALA 11 HB3 ALA 11 17.265 2.649 9.982 66 H GLY 12 H GLY 12 17.344 -0.733 12.449 67 HA2 GLY 12 HA2 GLY 12 15.481 -0.913 14.068 68 HA3 GLY 12 HA3 GLY 12 14.516 0.065 12.953 69 H LEU 13 H LEU 13 16.481 -1.843 10.925 70 HA LEU 13 HA LEU 13 14.029 -3.432 10.427 71 HB3 LEU 13 HB3 LEU 13 14.713 -3.475 8.102 72 HG LEU 13 HG LEU 13 14.096 -1.443 7.398 73 HD11 LEU 13 HD11 LEU 13 12.491 -2.121 9.283 74 HD12 LEU 13 HD12 LEU 13 12.449 -0.439 8.741 75 HD13 LEU 13 HD13 LEU 13 13.264 -0.864 10.251 76 HD21 LEU 13 HD21 LEU 13 15.525 -0.022 9.658 77 HD22 LEU 13 HD22 LEU 13 14.674 0.732 8.299 78 HD23 LEU 13 HD23 LEU 13 16.127 -0.231 7.997 79 HA PRO 14 HA PRO 14 16.305 -7.125 11.094 80 HB3 PRO 14 HB3 PRO 14 14.225 -8.160 11.121 81 HG3 PRO 14 HG3 PRO 14 12.544 -7.617 9.547 82 HD3 PRO 14 HD3 PRO 14 13.163 -5.588 10.589 83 H GLN 15 H GLN 15 17.506 -8.793 10.120 84 HA GLN 15 HA GLN 15 19.194 -8.114 7.996 85 HB3 GLN 15 HB3 GLN 15 18.562 -10.910 9.055 86 HG3 GLN 15 HG3 GLN 15 20.511 -9.806 7.105 87 HE21 GLN 15 HE21 GLN 15 22.457 -9.032 8.109 88 HE22 GLN 15 HE22 GLN 15 23.357 -10.004 9.239 89 H LYS 16 H LYS 16 16.474 -10.569 7.919 90 HA LYS 16 HA LYS 16 16.569 -11.296 5.314 91 HB3 LYS 16 HB3 LYS 16 14.874 -12.347 6.584 92 HG3 LYS 16 HG3 LYS 16 13.994 -9.547 7.350 93 HD3 LYS 16 HD3 LYS 16 12.368 -12.088 7.625 94 HE3 LYS 16 HE3 LYS 16 12.856 -9.767 9.454 95 HZ1 LYS 16 HZ1 LYS 16 10.673 -9.846 10.329 96 HZ2 LYS 16 HZ2 LYS 16 10.223 -10.977 9.244 97 HZ3 LYS 16 HZ3 LYS 16 10.558 -9.390 8.756 98 H VAL 17 H VAL 17 15.397 -8.130 6.433 99 HA VAL 17 HA VAL 17 14.301 -7.514 3.783 100 HB VAL 17 HB VAL 17 14.704 -5.878 6.327 101 HG11 VAL 17 HG11 VAL 17 13.180 -4.212 5.149 102 HG12 VAL 17 HG12 VAL 17 14.834 -4.292 4.560 103 HG13 VAL 17 HG13 VAL 17 13.525 -5.082 3.649 104 HG21 VAL 17 HG21 VAL 17 12.433 -6.179 6.777 105 HG22 VAL 17 HG22 VAL 17 12.030 -6.711 5.162 106 HG23 VAL 17 HG23 VAL 17 12.897 -7.781 6.259 107 H ALA 18 H ALA 18 17.223 -6.512 5.729 108 HA ALA 18 HA ALA 18 18.386 -4.896 3.725 109 HB1 ALA 18 HB1 ALA 18 19.049 -5.103 6.174 110 HB2 ALA 18 HB2 ALA 18 19.875 -6.615 5.751 111 HB3 ALA 18 HB3 ALA 18 20.397 -5.086 5.010 112 H GLU 19 H GLU 19 18.514 -8.403 4.249 113 HA GLU 19 HA GLU 19 20.507 -9.172 2.430 114 HB3 GLU 19 HB3 GLU 19 19.168 -11.367 2.388 115 HG3 GLU 19 HG3 GLU 19 19.068 -11.057 5.218 116 H LYS 20 H LYS 20 17.318 -7.910 1.768 117 HA LYS 20 HA LYS 20 17.441 -8.813 -1.078 118 HB3 LYS 20 HB3 LYS 20 14.948 -7.836 -0.787 119 HG3 LYS 20 HG3 LYS 20 15.666 -10.121 -1.479 120 HD3 LYS 20 HD3 LYS 20 14.866 -11.288 1.163 121 HE3 LYS 20 HE3 LYS 20 17.003 -12.681 0.426 122 HZ1 LYS 20 HZ1 LYS 20 15.005 -13.746 0.142 123 HZ2 LYS 20 HZ2 LYS 20 15.684 -13.769 -1.357 124 HZ3 LYS 20 HZ3 LYS 20 14.440 -12.737 -1.036 125 H LEU 21 H LEU 21 18.601 -6.323 0.601 126 HA LEU 21 HA LEU 21 17.567 -4.230 -1.247 127 HB3 LEU 21 HB3 LEU 21 18.688 -3.936 1.581 128 HG LEU 21 HG LEU 21 18.982 -1.826 0.521 129 HD11 LEU 21 HD11 LEU 21 16.876 -0.721 -0.606 130 HD12 LEU 21 HD12 LEU 21 16.309 -2.378 -0.793 131 HD13 LEU 21 HD13 LEU 21 17.830 -1.863 -1.548 132 HD21 LEU 21 HD21 LEU 21 17.679 -1.903 2.686 133 HD22 LEU 21 HD22 LEU 21 16.195 -1.704 1.755 134 HD23 LEU 21 HD23 LEU 21 17.446 -0.440 1.735 135 H ASP 22 H ASP 22 20.493 -5.438 0.440 136 HA ASP 22 HA ASP 22 22.500 -3.788 -0.449 137 HB3 ASP 22 HB3 ASP 22 22.301 -6.796 -0.199 138 H GLU 23 H GLU 23 21.063 -6.466 -2.313 139 HA GLU 23 HA GLU 23 22.643 -6.480 -4.526 140 HB3 GLU 23 HB3 GLU 23 20.029 -6.946 -5.544 141 HG3 GLU 23 HG3 GLU 23 21.801 -8.853 -3.978 142 H ILE 24 H ILE 24 19.961 -4.267 -3.887 143 HA ILE 24 HA ILE 24 19.660 -3.408 -6.592 144 HB ILE 24 HB ILE 24 18.727 -2.164 -3.961 145 HG13 ILE 24 HG13 ILE 24 17.917 -4.520 -4.289 146 HG21 ILE 24 HG21 ILE 24 18.609 -0.584 -5.928 147 HG22 ILE 24 HG22 ILE 24 17.472 -1.722 -6.689 148 HG23 ILE 24 HG23 ILE 24 17.062 -0.919 -5.164 149 HD11 ILE 24 HD11 ILE 24 15.611 -4.214 -3.881 150 HD12 ILE 24 HD12 ILE 24 16.451 -2.858 -3.123 151 HD13 ILE 24 HD13 ILE 24 15.582 -2.625 -4.657 152 H TYR 25 H TYR 25 21.500 -2.306 -3.753 153 HA TYR 25 HA TYR 25 22.258 0.262 -4.932 154 HB3 TYR 25 HB3 TYR 25 24.014 0.194 -3.084 155 HD1 TYR 25 HD1 TYR 25 20.746 -1.210 -1.907 156 HD2 TYR 25 HD2 TYR 25 23.180 2.294 -2.422 157 HE1 TYR 25 HE1 TYR 25 19.011 0.158 -0.766 158 HE2 TYR 25 HE2 TYR 25 21.381 3.676 -1.328 159 HH TYR 25 HH TYR 25 18.168 2.373 -0.831 160 H VAL 26 H VAL 26 23.513 -3.025 -5.050 161 HA VAL 26 HA VAL 26 26.209 -2.222 -5.804 162 HB VAL 26 HB VAL 26 24.753 -4.897 -5.661 163 HG11 VAL 26 HG11 VAL 26 26.532 -5.035 -7.382 164 HG12 VAL 26 HG12 VAL 26 27.721 -4.413 -6.217 165 HG13 VAL 26 HG13 VAL 26 26.922 -5.988 -5.963 166 HG21 VAL 26 HG21 VAL 26 25.288 -3.777 -3.463 167 HG22 VAL 26 HG22 VAL 26 26.151 -5.294 -3.688 168 HG23 VAL 26 HG23 VAL 26 26.993 -3.741 -3.923 169 H ALA 27 H ALA 27 23.228 -3.440 -7.380 170 HA ALA 27 HA ALA 27 24.408 -3.819 -9.925 171 HB1 ALA 27 HB1 ALA 27 22.028 -4.025 -10.682 172 HB2 ALA 27 HB2 ALA 27 22.395 -4.999 -9.260 173 HB3 ALA 27 HB3 ALA 27 21.497 -3.467 -9.084 174 H GLY 28 H GLY 28 23.912 -0.861 -8.424 175 HA2 GLY 28 HA2 GLY 28 23.865 1.313 -9.313 176 HA3 GLY 28 HA3 GLY 28 23.953 0.644 -10.922 177 H LEU 29 H LEU 29 21.389 -0.593 -8.827 178 HA LEU 29 HA LEU 29 19.369 0.575 -10.610 179 HB3 LEU 29 HB3 LEU 29 17.869 -0.508 -8.757 180 HG LEU 29 HG LEU 29 19.585 -2.156 -10.635 181 HD11 LEU 29 HD11 LEU 29 19.016 -3.612 -8.777 182 HD12 LEU 29 HD12 LEU 29 17.975 -4.023 -10.140 183 HD13 LEU 29 HD13 LEU 29 17.324 -3.059 -8.800 184 HD21 LEU 29 HD21 LEU 29 17.840 -0.642 -11.641 185 HD22 LEU 29 HD22 LEU 29 16.602 -1.481 -10.687 186 HD23 LEU 29 HD23 LEU 29 17.516 -2.347 -11.924 187 H VAL 30 H VAL 30 21.056 1.667 -7.849 188 HA VAL 30 HA VAL 30 19.310 4.036 -7.862 189 HB VAL 30 HB VAL 30 19.845 4.335 -5.395 190 HG11 VAL 30 HG11 VAL 30 17.557 3.890 -6.267 191 HG12 VAL 30 HG12 VAL 30 17.870 2.141 -6.166 192 HG13 VAL 30 HG13 VAL 30 17.792 3.126 -4.685 193 HG21 VAL 30 HG21 VAL 30 20.042 2.329 -3.996 194 HG22 VAL 30 HG22 VAL 30 20.150 1.296 -5.423 195 HG23 VAL 30 HG23 VAL 30 21.435 2.477 -5.075 196 H ALA 31 H ALA 31 20.297 5.932 -7.206 197 HA ALA 31 HA ALA 31 23.124 6.134 -7.624 198 HB1 ALA 31 HB1 ALA 31 21.425 7.805 -8.471 199 HB2 ALA 31 HB2 ALA 31 21.106 8.265 -6.778 200 HB3 ALA 31 HB3 ALA 31 22.700 8.545 -7.491 201 H HIS 32 H HIS 32 21.953 4.846 -5.039 202 HA HIS 32 HA HIS 32 22.465 4.624 -2.904 203 HB3 HIS 32 HB3 HIS 32 24.693 6.662 -3.158 204 HD1 HIS 32 HD1 HIS 32 26.839 5.496 -1.479 205 HD2 HIS 32 HD2 HIS 32 22.755 5.080 -0.446 206 HE1 HIS 32 HE1 HIS 32 26.743 4.885 0.986 207 H SER 33 H SER 33 22.983 8.202 -3.301 208 HA SER 33 HA SER 33 20.971 8.649 -1.176 209 HB3 SER 33 HB3 SER 33 22.408 10.902 -2.588 210 HG SER 33 HG SER 33 21.148 11.513 -0.839 211 H ASP 34 H ASP 34 19.525 7.476 -2.858 212 HA ASP 34 HA ASP 34 18.472 9.318 -4.940 213 HB3 ASP 34 HB3 ASP 34 17.967 6.390 -5.064 214 H LEU 35 H LEU 35 17.622 7.925 -2.007 215 HA LEU 35 HA LEU 35 14.671 7.993 -2.481 216 HB3 LEU 35 HB3 LEU 35 14.361 7.019 -0.388 217 HG LEU 35 HG LEU 35 16.757 5.374 -1.134 218 HD11 LEU 35 HD11 LEU 35 15.214 3.540 -0.477 219 HD12 LEU 35 HD12 LEU 35 13.922 4.714 -0.228 220 HD13 LEU 35 HD13 LEU 35 15.377 4.754 0.789 221 HD21 LEU 35 HD21 LEU 35 15.531 4.086 -2.814 222 HD22 LEU 35 HD22 LEU 35 15.779 5.731 -3.373 223 HD23 LEU 35 HD23 LEU 35 14.189 5.236 -2.775 224 H ASP 36 H ASP 36 13.579 9.171 -0.344 225 HA ASP 36 HA ASP 36 15.265 11.358 0.590 226 HB3 ASP 36 HB3 ASP 36 13.573 12.272 -1.042 227 H GLU 37 H GLU 37 14.055 12.214 2.603 228 HA GLU 37 HA GLU 37 14.181 10.144 4.554 229 HB3 GLU 37 HB3 GLU 37 12.891 12.907 4.720 230 HG3 GLU 37 HG3 GLU 37 13.718 10.884 6.830 231 H ARG 38 H ARG 38 11.494 11.415 2.689 232 HA ARG 38 HA ARG 38 9.417 10.567 4.492 233 HB3 ARG 38 HB3 ARG 38 7.918 11.201 2.684 234 HG3 ARG 38 HG3 ARG 38 10.286 13.117 2.764 235 HD3 ARG 38 HD3 ARG 38 7.361 13.683 2.217 236 HE ARG 38 HE ARG 38 8.371 15.642 2.977 237 HH11 ARG 38 HH11 ARG 38 10.362 14.323 0.279 238 HH12 ARG 38 HH12 ARG 38 10.923 15.897 -0.193 239 HH21 ARG 38 HH21 ARG 38 9.522 17.532 2.612 240 HH22 ARG 38 HH22 ARG 38 10.523 17.783 1.237 241 H ALA 39 H ALA 39 10.994 9.162 1.554 242 HA ALA 39 HA ALA 39 9.439 6.744 1.628 243 HB1 ALA 39 HB1 ALA 39 10.730 7.191 -0.298 244 HB2 ALA 39 HB2 ALA 39 12.229 7.450 0.642 245 HB3 ALA 39 HB3 ALA 39 11.540 5.825 0.526 246 H ILE 40 H ILE 40 12.414 7.779 3.394 247 HA ILE 40 HA ILE 40 12.943 5.216 4.517 248 HB ILE 40 HB ILE 40 13.823 7.956 5.427 249 HG13 ILE 40 HG13 ILE 40 15.926 7.463 4.331 250 HG21 ILE 40 HG21 ILE 40 14.892 5.244 6.287 251 HG22 ILE 40 HG22 ILE 40 15.674 6.811 6.606 252 HG23 ILE 40 HG23 ILE 40 14.093 6.457 7.295 253 HD11 ILE 40 HD11 ILE 40 15.980 4.964 4.348 254 HD12 ILE 40 HD12 ILE 40 14.675 4.949 3.141 255 HD13 ILE 40 HD13 ILE 40 16.252 5.657 2.752 256 H GLU 41 H GLU 41 10.852 7.877 5.714 257 HA GLU 41 HA GLU 41 10.144 6.727 8.263 258 HB3 GLU 41 HB3 GLU 41 7.963 7.938 7.883 259 HG3 GLU 41 HG3 GLU 41 10.307 9.712 7.145 260 H ALA 42 H ALA 42 8.654 6.302 5.025 261 HA ALA 42 HA ALA 42 6.790 4.320 6.072 262 HB1 ALA 42 HB1 ALA 42 6.219 5.921 4.266 263 HB2 ALA 42 HB2 ALA 42 7.403 5.125 3.192 264 HB3 ALA 42 HB3 ALA 42 5.972 4.238 3.803 265 H LEU 43 H LEU 43 9.997 4.084 5.259 266 HA LEU 43 HA LEU 43 9.885 1.122 4.913 267 HB3 LEU 43 HB3 LEU 43 12.293 1.408 4.214 268 HG LEU 43 HG LEU 43 10.171 2.941 2.693 269 HD11 LEU 43 HD11 LEU 43 11.618 3.246 0.877 270 HD12 LEU 43 HD12 LEU 43 12.942 2.337 1.643 271 HD13 LEU 43 HD13 LEU 43 12.453 3.921 2.278 272 HD21 LEU 43 HD21 LEU 43 10.328 1.056 1.127 273 HD22 LEU 43 HD22 LEU 43 9.897 0.505 2.741 274 HD23 LEU 43 HD23 LEU 43 11.565 0.302 2.166 275 H LYS 44 H LYS 44 9.490 2.701 7.506 276 HA LYS 44 HA LYS 44 11.803 1.758 9.123 277 HB3 LYS 44 HB3 LYS 44 9.502 3.606 9.790 278 HG3 LYS 44 HG3 LYS 44 10.990 2.555 11.719 279 HD3 LYS 44 HD3 LYS 44 12.877 4.396 10.356 280 HE3 LYS 44 HE3 LYS 44 12.423 4.681 13.359 281 HZ1 LYS 44 HZ1 LYS 44 13.865 6.628 13.006 282 HZ2 LYS 44 HZ2 LYS 44 14.215 6.139 11.503 283 HZ3 LYS 44 HZ3 LYS 44 14.647 5.201 12.831 284 H GLU 45 H GLU 45 8.199 1.535 8.858 285 HA GLU 45 HA GLU 45 8.234 -0.564 10.991 286 HB3 GLU 45 HB3 GLU 45 7.625 1.472 12.003 287 HG3 GLU 45 HG3 GLU 45 5.028 1.952 10.786 288 H PHE 46 H PHE 46 8.259 -2.028 9.079 289 HA PHE 46 HA PHE 46 5.572 -2.384 7.812 290 HB3 PHE 46 HB3 PHE 46 7.095 -1.837 6.148 291 HD1 PHE 46 HD1 PHE 46 8.766 -4.853 7.748 292 HD2 PHE 46 HD2 PHE 46 9.239 -0.979 5.900 293 HE1 PHE 46 HE1 PHE 46 11.182 -5.015 8.020 294 HE2 PHE 46 HE2 PHE 46 11.710 -1.243 6.053 295 HZ PHE 46 HZ PHE 46 12.677 -3.256 7.108 296 H ASN 47 H ASN 47 5.824 -4.922 6.858 297 HA ASN 47 HA ASN 47 6.176 -6.707 9.188 298 HB3 ASN 47 HB3 ASN 47 3.840 -6.606 8.355 299 HD21 ASN 47 HD21 ASN 47 3.740 -9.082 6.178 300 HD22 ASN 47 HD22 ASN 47 3.597 -8.127 4.723 301 H GLU 48 H GLU 48 6.555 -8.949 8.353 302 HA GLU 48 HA GLU 48 9.106 -9.242 7.251 303 HB3 GLU 48 HB3 GLU 48 6.818 -11.174 7.744 304 HG3 GLU 48 HG3 GLU 48 9.762 -11.569 7.174 305 H ASP 49 H ASP 49 6.062 -9.241 5.497 306 HA ASP 49 HA ASP 49 7.571 -10.099 3.058 307 HB3 ASP 49 HB3 ASP 49 4.651 -10.078 3.648 308 H GLY 50 H GLY 50 6.288 -7.345 4.656 309 HA2 GLY 50 HA2 GLY 50 5.227 -5.879 2.552 310 HA3 GLY 50 HA3 GLY 50 5.867 -5.180 4.039 311 H ALA 51 H ALA 51 8.333 -5.169 4.140 312 HA ALA 51 HA ALA 51 9.295 -3.513 2.040 313 HB1 ALA 51 HB1 ALA 51 10.292 -3.566 4.304 314 HB2 ALA 51 HB2 ALA 51 10.934 -5.183 3.987 315 HB3 ALA 51 HB3 ALA 51 11.522 -3.800 3.046 316 H LEU 52 H LEU 52 9.440 -7.037 2.439 317 HA LEU 52 HA LEU 52 11.427 -7.570 0.494 318 HB3 LEU 52 HB3 LEU 52 10.113 -9.887 0.515 319 HG LEU 52 HG LEU 52 10.905 -10.643 2.646 320 HD11 LEU 52 HD11 LEU 52 12.944 -8.848 1.261 321 HD12 LEU 52 HD12 LEU 52 12.548 -10.537 0.878 322 HD13 LEU 52 HD13 LEU 52 13.322 -10.124 2.410 323 HD21 LEU 52 HD21 LEU 52 11.877 -9.370 4.355 324 HD22 LEU 52 HD22 LEU 52 10.401 -8.497 3.944 325 HD23 LEU 52 HD23 LEU 52 11.957 -7.902 3.323 326 H ALA 53 H ALA 53 7.918 -7.196 0.166 327 HA ALA 53 HA ALA 53 7.771 -8.281 -2.518 328 HB1 ALA 53 HB1 ALA 53 5.880 -6.508 -0.884 329 HB2 ALA 53 HB2 ALA 53 5.466 -7.336 -2.392 330 HB3 ALA 53 HB3 ALA 53 5.851 -8.276 -0.933 331 H VAL 54 H VAL 54 8.139 -5.170 -1.000 332 HA VAL 54 HA VAL 54 7.471 -3.622 -3.384 333 HB VAL 54 HB VAL 54 8.489 -2.926 -0.595 334 HG11 VAL 54 HG11 VAL 54 8.435 -1.216 -2.902 335 HG12 VAL 54 HG12 VAL 54 7.191 -0.664 -1.795 336 HG13 VAL 54 HG13 VAL 54 8.866 -0.814 -1.242 337 HG21 VAL 54 HG21 VAL 54 6.236 -2.171 -0.121 338 HG22 VAL 54 HG22 VAL 54 5.720 -2.547 -1.787 339 HG23 VAL 54 HG23 VAL 54 6.160 -3.841 -0.684 340 H LEU 55 H LEU 55 10.404 -4.365 -1.477 341 HA LEU 55 HA LEU 55 12.253 -2.799 -2.967 342 HB3 LEU 55 HB3 LEU 55 13.869 -4.692 -2.181 343 HG LEU 55 HG LEU 55 12.329 -3.429 0.103 344 HD11 LEU 55 HD11 LEU 55 15.177 -4.380 -0.200 345 HD12 LEU 55 HD12 LEU 55 13.900 -5.145 0.753 346 HD13 LEU 55 HD13 LEU 55 14.514 -3.555 1.235 347 HD21 LEU 55 HD21 LEU 55 12.760 -1.537 -1.241 348 HD22 LEU 55 HD22 LEU 55 14.350 -2.129 -1.715 349 HD23 LEU 55 HD23 LEU 55 14.063 -1.570 -0.048 350 H GLN 56 H GLN 56 10.858 -6.005 -3.599 351 HA GLN 56 HA GLN 56 12.674 -6.631 -5.731 352 HB3 GLN 56 HB3 GLN 56 9.892 -7.683 -5.058 353 HG3 GLN 56 HG3 GLN 56 10.276 -8.504 -7.220 354 HE21 GLN 56 HE21 GLN 56 11.639 -7.603 -8.680 355 HE22 GLN 56 HE22 GLN 56 13.295 -8.049 -8.919 356 H GLN 57 H GLN 57 9.213 -5.699 -5.919 357 HA GLN 57 HA GLN 57 9.091 -5.302 -8.636 358 HB3 GLN 57 HB3 GLN 57 7.442 -3.314 -7.922 359 HG3 GLN 57 HG3 GLN 57 5.727 -4.905 -7.315 360 HE21 GLN 57 HE21 GLN 57 7.540 -4.126 -9.905 361 HE22 GLN 57 HE22 GLN 57 7.122 -5.409 -11.023 362 H PHE 58 H PHE 58 10.412 -3.000 -6.302 363 HA PHE 58 HA PHE 58 10.895 -0.827 -8.042 364 HB3 PHE 58 HB3 PHE 58 12.436 -1.718 -5.617 365 HD1 PHE 58 HD1 PHE 58 10.858 1.555 -6.542 366 HD2 PHE 58 HD2 PHE 58 14.534 -0.626 -5.985 367 HE1 PHE 58 HE1 PHE 58 12.146 3.686 -6.595 368 HE2 PHE 58 HE2 PHE 58 15.802 1.486 -6.103 369 HZ PHE 58 HZ PHE 58 14.615 3.660 -6.374 370 H LYS 59 H LYS 59 12.741 -3.736 -7.678 371 HA LYS 59 HA LYS 59 15.047 -2.939 -9.183 372 HB3 LYS 59 HB3 LYS 59 15.562 -5.257 -9.353 373 HG3 LYS 59 HG3 LYS 59 14.003 -5.148 -6.774 374 HD3 LYS 59 HD3 LYS 59 16.761 -6.207 -7.310 375 HE3 LYS 59 HE3 LYS 59 14.730 -6.436 -5.069 376 HZ1 LYS 59 HZ1 LYS 59 15.092 -8.696 -5.670 377 HZ2 LYS 59 HZ2 LYS 59 15.980 -8.431 -4.325 378 HZ3 LYS 59 HZ3 LYS 59 16.741 -8.500 -5.744 379 H ASP 60 H ASP 60 12.015 -4.430 -10.135 380 HA ASP 60 HA ASP 60 12.885 -4.738 -12.938 381 HB3 ASP 60 HB3 ASP 60 10.186 -5.385 -11.709 382 H SER 61 H SER 61 11.755 -2.053 -11.383 383 HA SER 61 HA SER 61 9.536 -1.297 -13.104 384 HB3 SER 61 HB3 SER 61 9.779 0.882 -11.874 385 HG SER 61 HG SER 61 9.717 -1.523 -10.343 386 H ASP 62 H ASP 62 9.650 0.837 -14.335 387 HA ASP 62 HA ASP 62 11.914 0.780 -16.202 388 HB3 ASP 62 HB3 ASP 62 9.493 2.629 -16.008 389 H LEU 63 H LEU 63 13.747 1.456 -15.229 390 HA LEU 63 HA LEU 63 13.701 4.127 -13.863 391 HB3 LEU 63 HB3 LEU 63 15.655 3.440 -12.618 392 HG LEU 63 HG LEU 63 13.393 1.411 -12.310 393 HD11 LEU 63 HD11 LEU 63 15.417 0.616 -11.239 394 HD12 LEU 63 HD12 LEU 63 14.235 1.144 -10.023 395 HD13 LEU 63 HD13 LEU 63 15.644 2.167 -10.406 396 HD21 LEU 63 HD21 LEU 63 12.648 2.865 -10.448 397 HD22 LEU 63 HD22 LEU 63 12.565 3.703 -11.996 398 HD23 LEU 63 HD23 LEU 63 13.902 4.053 -10.874 399 H SER 64 H SER 64 13.568 4.553 -16.259 400 HA SER 64 HA SER 64 16.323 4.908 -17.412 401 HB3 SER 64 HB3 SER 64 14.961 5.198 -19.547 402 HG SER 64 HG SER 64 14.710 2.618 -18.322 403 H HIS 65 H HIS 65 13.166 6.542 -16.764 404 HA HIS 65 HA HIS 65 14.468 9.172 -17.120 405 HB3 HIS 65 HB3 HIS 65 11.890 8.347 -18.504 406 HD1 HIS 65 HD1 HIS 65 11.920 9.804 -21.053 407 HD2 HIS 65 HD2 HIS 65 13.694 11.459 -17.594 408 HE1 HIS 65 HE1 HIS 65 11.979 12.310 -21.404 409 H VAL 66 H VAL 66 12.812 7.269 -15.045 410 HA VAL 66 HA VAL 66 10.793 8.695 -13.841 411 HB VAL 66 HB VAL 66 11.666 6.491 -13.133 412 HG11 VAL 66 HG11 VAL 66 13.611 6.220 -11.730 413 HG12 VAL 66 HG12 VAL 66 14.097 6.892 -13.289 414 HG13 VAL 66 HG13 VAL 66 13.997 7.944 -11.859 415 HG21 VAL 66 HG21 VAL 66 10.259 7.660 -11.524 416 HG22 VAL 66 HG22 VAL 66 11.576 6.875 -10.633 417 HG23 VAL 66 HG23 VAL 66 11.640 8.602 -10.920 418 H GLN 67 H GLN 67 10.630 10.588 -12.623 419 HA GLN 67 HA GLN 67 13.002 12.341 -12.642 420 HB3 GLN 67 HB3 GLN 67 10.233 12.978 -11.560 421 HG3 GLN 67 HG3 GLN 67 12.444 14.754 -12.691 422 HE21 GLN 67 HE21 GLN 67 10.555 15.667 -14.084 423 HE22 GLN 67 HE22 GLN 67 9.402 16.685 -13.243 424 H ASN 68 H ASN 68 10.657 11.105 -10.226 425 HA ASN 68 HA ASN 68 12.666 11.678 -8.101 426 HB3 ASN 68 HB3 ASN 68 9.644 11.459 -7.889 427 HD21 ASN 68 HD21 ASN 68 8.867 12.313 -5.702 428 HD22 ASN 68 HD22 ASN 68 9.892 12.090 -4.317 429 H LYS 69 H LYS 69 13.818 9.769 -8.384 430 HA LYS 69 HA LYS 69 12.919 7.131 -8.563 431 HB3 LYS 69 HB3 LYS 69 15.063 6.839 -6.887 432 HG3 LYS 69 HG3 LYS 69 16.452 7.597 -9.109 433 HD3 LYS 69 HD3 LYS 69 14.866 5.005 -8.973 434 HE3 LYS 69 HE3 LYS 69 16.194 5.237 -11.079 435 HZ1 LYS 69 HZ1 LYS 69 18.301 5.969 -9.201 436 HZ2 LYS 69 HZ2 LYS 69 18.050 6.497 -10.727 437 HZ3 LYS 69 HZ3 LYS 69 18.741 5.026 -10.476 438 H SER 70 H SER 70 13.149 9.133 -5.565 439 HA SER 70 HA SER 70 12.658 7.067 -3.826 440 HB3 SER 70 HB3 SER 70 13.407 9.406 -3.281 441 HG SER 70 HG SER 70 11.832 10.690 -4.155 442 H ALA 71 H ALA 71 10.231 9.174 -5.413 443 HA ALA 71 HA ALA 71 8.022 8.094 -3.967 444 HB1 ALA 71 HB1 ALA 71 6.673 9.275 -5.776 445 HB2 ALA 71 HB2 ALA 71 7.870 10.293 -4.961 446 HB3 ALA 71 HB3 ALA 71 8.211 9.652 -6.591 447 H PHE 72 H PHE 72 9.705 6.870 -6.842 448 HA PHE 72 HA PHE 72 7.570 5.276 -7.822 449 HB3 PHE 72 HB3 PHE 72 10.271 4.012 -7.833 450 HD1 PHE 72 HD1 PHE 72 7.303 3.172 -8.770 451 HD2 PHE 72 HD2 PHE 72 10.694 4.941 -10.773 452 HE1 PHE 72 HE1 PHE 72 6.509 2.304 -10.935 453 HE2 PHE 72 HE2 PHE 72 9.783 4.185 -12.932 454 HZ PHE 72 HZ PHE 72 7.741 2.808 -13.017 455 H LEU 73 H LEU 73 9.860 4.806 -5.048 456 HA LEU 73 HA LEU 73 8.946 2.091 -4.573 457 HB3 LEU 73 HB3 LEU 73 10.540 4.023 -2.905 458 HG LEU 73 HG LEU 73 9.875 1.949 -1.636 459 HD11 LEU 73 HD11 LEU 73 9.918 0.355 -3.605 460 HD12 LEU 73 HD12 LEU 73 10.919 -0.189 -2.246 461 HD13 LEU 73 HD13 LEU 73 11.676 0.546 -3.668 462 HD21 LEU 73 HD21 LEU 73 11.992 3.248 -1.232 463 HD22 LEU 73 HD22 LEU 73 12.828 2.221 -2.363 464 HD23 LEU 73 HD23 LEU 73 12.186 1.520 -0.861 465 H CYS 74 H CYS 74 8.134 5.402 -3.493 466 HA CYS 74 HA CYS 74 6.600 4.508 -1.235 467 HB3 CYS 74 HB3 CYS 74 7.578 6.876 -1.670 468 HG CYS 74 HG CYS 74 5.808 8.784 -2.194 469 H GLY 75 H GLY 75 5.967 4.742 -4.649 470 HA2 GLY 75 HA2 GLY 75 3.086 4.691 -4.585 471 HA3 GLY 75 HA3 GLY 75 4.149 4.274 -5.946 472 H VAL 76 H VAL 76 5.566 2.141 -5.315 473 HA VAL 76 HA VAL 76 3.658 0.081 -5.494 474 HB VAL 76 HB VAL 76 5.715 -0.334 -6.520 475 HG11 VAL 76 HG11 VAL 76 7.302 0.975 -5.519 476 HG12 VAL 76 HG12 VAL 76 7.068 0.257 -3.913 477 HG13 VAL 76 HG13 VAL 76 7.849 -0.669 -5.230 478 HG21 VAL 76 HG21 VAL 76 4.588 -2.295 -5.431 479 HG22 VAL 76 HG22 VAL 76 6.309 -2.488 -5.729 480 HG23 VAL 76 HG23 VAL 76 5.735 -2.152 -4.088 481 H MET 77 H MET 77 5.427 1.214 -2.533 482 HA MET 77 HA MET 77 4.447 -0.863 -0.900 483 HB3 MET 77 HB3 MET 77 6.314 0.749 -0.346 484 HG3 MET 77 HG3 MET 77 3.941 2.408 0.543 485 HE1 MET 77 HE1 MET 77 7.600 1.665 1.613 486 HE2 MET 77 HE2 MET 77 7.985 2.602 0.149 487 HE3 MET 77 HE3 MET 77 8.296 3.279 1.783 488 H LYS 78 H LYS 78 2.609 1.755 -2.277 489 HA LYS 78 HA LYS 78 0.441 1.335 -0.275 490 HB3 LYS 78 HB3 LYS 78 0.688 3.821 -1.983 491 HG3 LYS 78 HG3 LYS 78 -0.597 3.034 0.666 492 HD3 LYS 78 HD3 LYS 78 0.740 5.093 1.080 493 HE3 LYS 78 HE3 LYS 78 -1.241 6.380 -0.855 494 HZ1 LYS 78 HZ1 LYS 78 -0.326 7.767 0.994 495 HZ2 LYS 78 HZ2 LYS 78 0.037 8.298 -0.523 496 HZ3 LYS 78 HZ3 LYS 78 1.182 7.537 0.377 497 H THR 79 H THR 79 1.265 -0.139 -2.782 498 HA THR 79 HA THR 79 -1.426 -0.220 -4.056 499 HB THR 79 HB THR 79 1.291 -0.587 -5.393 500 HG1 THR 79 HG1 THR 79 1.119 1.553 -5.107 501 HG21 THR 79 HG21 THR 79 -1.542 -0.456 -6.511 502 HG22 THR 79 HG22 THR 79 -0.488 -1.886 -6.501 503 HG23 THR 79 HG23 THR 79 -0.056 -0.471 -7.484 504 H TYR 80 H TYR 80 1.647 -2.127 -3.479 505 HA TYR 80 HA TYR 80 0.549 -4.585 -4.038 506 HB3 TYR 80 HB3 TYR 80 3.000 -3.890 -3.524 507 HD1 TYR 80 HD1 TYR 80 2.959 -2.281 -1.478 508 HD2 TYR 80 HD2 TYR 80 2.745 -6.562 -1.131 509 HE1 TYR 80 HE1 TYR 80 3.599 -2.098 0.913 510 HE2 TYR 80 HE2 TYR 80 3.295 -6.392 1.253 511 HH TYR 80 HH TYR 80 3.151 -4.850 3.056 512 H ARG 81 H ARG 81 0.488 -3.012 -0.793 513 HA ARG 81 HA ARG 81 -0.746 -4.957 0.716 514 HB3 ARG 81 HB3 ARG 81 -1.902 -2.993 1.932 515 HG3 ARG 81 HG3 ARG 81 1.040 -3.181 1.403 516 HD3 ARG 81 HD3 ARG 81 -0.216 -1.094 3.220 517 HE ARG 81 HE ARG 81 2.638 -1.128 2.459 518 HH11 ARG 81 HH11 ARG 81 0.234 -1.472 5.101 519 HH12 ARG 81 HH12 ARG 81 1.433 -1.863 6.287 520 HH21 ARG 81 HH21 ARG 81 4.145 -1.792 4.056 521 HH22 ARG 81 HH22 ARG 81 3.727 -1.584 5.743 522 H GLN 82 H GLN 82 -2.372 -2.982 -1.775 523 HA GLN 82 HA GLN 82 -5.062 -3.611 -0.875 524 HB3 GLN 82 HB3 GLN 82 -5.780 -2.542 -2.891 525 HG3 GLN 82 HG3 GLN 82 -3.167 -1.187 -2.170 526 HE21 GLN 82 HE21 GLN 82 -3.018 0.995 -2.958 527 HE22 GLN 82 HE22 GLN 82 -4.324 1.715 -3.891 528 H ARG 83 H ARG 83 -2.728 -4.874 -3.143 529 HA ARG 83 HA ARG 83 -4.443 -7.012 -4.198 530 HB3 ARG 83 HB3 ARG 83 -2.259 -8.128 -4.802 531 HG3 ARG 83 HG3 ARG 83 -3.499 -5.876 -6.020 532 HD3 ARG 83 HD3 ARG 83 -0.450 -5.728 -6.014 533 HE ARG 83 HE ARG 83 -2.074 -4.144 -7.880 534 HH11 ARG 83 HH11 ARG 83 -0.132 -7.139 -7.627 535 HH12 ARG 83 HH12 ARG 83 -0.015 -7.324 -9.334 536 HH21 ARG 83 HH21 ARG 83 -1.587 -4.204 -10.035 537 HH22 ARG 83 HH22 ARG 83 -0.828 -5.599 -10.764 538 H GLU 84 H GLU 84 -1.973 -6.879 -1.619 539 HA GLU 84 HA GLU 84 -2.390 -9.534 -0.736 540 HB3 GLU 84 HB3 GLU 84 -1.103 -8.774 1.300 541 HG3 GLU 84 HG3 GLU 84 0.958 -8.091 0.252 542 H LYS 85 H LYS 85 -4.874 -7.480 -0.624 543 HA LYS 85 HA LYS 85 -5.816 -7.966 2.104 544 HB3 LYS 85 HB3 LYS 85 -6.595 -6.059 0.650 545 HG3 LYS 85 HG3 LYS 85 -8.387 -8.187 -0.600 546 HD3 LYS 85 HD3 LYS 85 -8.164 -5.173 -1.046 547 HE3 LYS 85 HE3 LYS 85 -10.230 -5.541 -2.436 548 HZ1 LYS 85 HZ1 LYS 85 -7.805 -6.920 -3.417 549 HZ2 LYS 85 HZ2 LYS 85 -8.150 -5.309 -3.553 550 HZ3 LYS 85 HZ3 LYS 85 -9.059 -6.413 -4.355 551 H GLN 86 H GLN 86 -8.011 -9.211 2.275 552 HA GLN 86 HA GLN 86 -7.563 -11.983 1.632 553 HB3 GLN 86 HB3 GLN 86 -9.924 -12.256 2.365 554 HG3 GLN 86 HG3 GLN 86 -8.024 -12.333 3.985 555 HE21 GLN 86 HE21 GLN 86 -6.329 -11.165 5.060 556 HE22 GLN 86 HE22 GLN 86 -6.467 -9.462 5.419 557 H GLY 87 H GLY 87 -7.507 -12.714 -0.265 558 HA2 GLY 87 HA2 GLY 87 -9.679 -12.405 -2.204 559 HA3 GLY 87 HA3 GLY 87 -8.021 -11.984 -2.716 560 H THR 88 H THR 88 -9.354 -14.460 -0.464 561 HA THR 88 HA THR 88 -8.643 -16.682 -2.106 562 HB THR 88 HB THR 88 -6.470 -15.919 -1.041 563 HG1 THR 88 HG1 THR 88 -5.796 -17.840 -0.994 564 HG21 THR 88 HG21 THR 88 -5.968 -16.506 1.253 565 HG22 THR 88 HG22 THR 88 -7.646 -17.014 1.542 566 HG23 THR 88 HG23 THR 88 -7.263 -15.310 1.201 567 H LYS 89 H LYS 89 -9.589 -18.642 -1.071 568 HA LYS 89 HA LYS 89 -12.172 -17.992 -0.042 569 HB3 LYS 89 HB3 LYS 89 -12.479 -20.429 0.144 570 HG3 LYS 89 HG3 LYS 89 -10.954 -19.700 -2.396 571 HD3 LYS 89 HD3 LYS 89 -13.011 -21.906 -1.964 572 HE3 LYS 89 HE3 LYS 89 -11.941 -22.815 -4.040 573 HZ1 LYS 89 HZ1 LYS 89 -13.099 -20.124 -4.484 574 HZ2 LYS 89 HZ2 LYS 89 -13.942 -21.519 -4.292 575 HZ3 LYS 89 HZ3 LYS 89 -12.976 -21.342 -5.582 576 H VAL 90 H VAL 90 -13.119 -18.374 2.018 577 HA VAL 90 HA VAL 90 -11.482 -19.343 4.201 578 HB VAL 90 HB VAL 90 -10.624 -17.145 4.235 579 HG11 VAL 90 HG11 VAL 90 -13.414 -16.001 4.297 580 HG12 VAL 90 HG12 VAL 90 -11.919 -15.095 4.517 581 HG13 VAL 90 HG13 VAL 90 -12.255 -15.878 2.960 582 HG21 VAL 90 HG21 VAL 90 -11.142 -18.183 6.421 583 HG22 VAL 90 HG22 VAL 90 -11.168 -16.412 6.468 584 HG23 VAL 90 HG23 VAL 90 -12.694 -17.313 6.448 585 H ALA 91 H ALA 91 -12.839 -20.877 4.661 586 HA ALA 91 HA ALA 91 -15.713 -20.628 4.723 587 HB1 ALA 91 HB1 ALA 91 -15.513 -22.999 5.524 588 HB2 ALA 91 HB2 ALA 91 -14.594 -22.687 4.042 589 HB3 ALA 91 HB3 ALA 91 -13.755 -22.804 5.605 590 H ASP 92 H ASP 92 -14.607 -18.621 6.541 591 HA ASP 92 HA ASP 92 -15.854 -19.474 9.035 592 HB3 ASP 92 HB3 ASP 92 -13.486 -18.301 9.959 593 H SER 93 H SER 93 -17.276 -17.858 9.042 594 HA SER 93 HA SER 93 -16.539 -15.208 9.778 595 HB3 SER 93 HB3 SER 93 -15.945 -14.620 7.612 596 HG SER 93 HG SER 93 -17.742 -15.254 5.954 597 H SER 94 H SER 94 -18.344 -13.955 10.393 598 HA SER 94 HA SER 94 -21.070 -14.821 9.788 599 HB3 SER 94 HB3 SER 94 -20.016 -14.890 12.654 600 HG SER 94 HG SER 94 -22.306 -14.335 12.242 601 H LYS 95 H LYS 95 -20.606 -12.614 8.763 602 HA LYS 95 HA LYS 95 -21.625 -10.577 10.522 603 HB3 LYS 95 HB3 LYS 95 -20.021 -8.821 9.782 604 HG3 LYS 95 HG3 LYS 95 -18.485 -11.002 11.202 605 HD3 LYS 95 HD3 LYS 95 -17.656 -8.445 10.704 606 HE3 LYS 95 HE3 LYS 95 -19.603 -7.572 12.088 607 HZ1 LYS 95 HZ1 LYS 95 -19.399 -7.734 14.449 608 HZ2 LYS 95 HZ2 LYS 95 -18.099 -8.746 14.335 609 HZ3 LYS 95 HZ3 LYS 95 -19.593 -9.259 13.844 610 H GLY 96 H GLY 96 -23.162 -9.487 9.356 611 HA2 GLY 96 HA2 GLY 96 -22.736 -8.808 6.558 612 HA3 GLY 96 HA3 GLY 96 -23.992 -10.024 6.811 613 HA PRO 97 HA PRO 97 -25.702 -6.127 8.931 614 HB3 PRO 97 HB3 PRO 97 -24.019 -5.005 10.113 615 HG3 PRO 97 HG3 PRO 97 -21.869 -4.695 9.206 616 HD3 PRO 97 HD3 PRO 97 -22.126 -7.025 8.995 617 H ASP 98 H ASP 98 -27.178 -4.744 7.857 618 HA ASP 98 HA ASP 98 -26.430 -3.318 5.425 619 HB3 ASP 98 HB3 ASP 98 -28.688 -4.111 4.389 620 H GLU 99 H GLU 99 -27.088 -1.293 6.083 621 HA GLU 99 HA GLU 99 -29.745 -0.963 7.233 622 HB3 GLU 99 HB3 GLU 99 -27.443 0.259 8.759 623 HG3 GLU 99 HG3 GLU 99 -30.215 -0.811 9.503 624 H ALA 100 H ALA 100 -29.254 1.747 7.997 625 HA ALA 100 HA ALA 100 -29.684 3.790 7.065 626 HB1 ALA 100 HB1 ALA 100 -27.600 4.785 6.219 627 HB2 ALA 100 HB2 ALA 100 -27.353 3.794 7.672 628 HB3 ALA 100 HB3 ALA 100 -26.893 3.158 6.082 629 H LYS 101 H LYS 101 -31.402 2.913 5.714 630 HA LYS 101 HA LYS 101 -31.160 2.229 3.042 631 HB3 LYS 101 HB3 LYS 101 -33.229 2.032 4.511 632 HG3 LYS 101 HG3 LYS 101 -34.056 4.643 3.269 633 HD3 LYS 101 HD3 LYS 101 -35.538 3.007 4.762 634 HE3 LYS 101 HE3 LYS 101 -33.895 4.663 6.735 635 HZ1 LYS 101 HZ1 LYS 101 -36.409 3.219 7.306 636 HZ2 LYS 101 HZ2 LYS 101 -36.218 4.858 7.303 637 HZ3 LYS 101 HZ3 LYS 101 -35.433 3.941 8.415 638 H ILE 102 H ILE 102 -31.375 3.297 1.038 639 HA ILE 102 HA ILE 102 -31.480 6.277 1.123 640 HB ILE 102 HB ILE 102 -30.100 4.844 -1.151 641 HG13 ILE 102 HG13 ILE 102 -28.826 5.573 1.516 642 HG21 ILE 102 HG21 ILE 102 -29.078 7.056 -1.445 643 HG22 ILE 102 HG22 ILE 102 -30.827 7.209 -1.413 644 HG23 ILE 102 HG23 ILE 102 -29.870 7.652 0.022 645 HD11 ILE 102 HD11 ILE 102 -28.360 3.325 -0.509 646 HD12 ILE 102 HD12 ILE 102 -27.378 3.595 0.932 647 HD13 ILE 102 HD13 ILE 102 -29.067 3.125 1.107 648 H LYS 103 H LYS 103 -32.561 3.284 -0.498 649 HA LYS 103 HA LYS 103 -34.032 4.475 -2.569 650 HB3 LYS 103 HB3 LYS 103 -35.473 2.270 -2.299 651 HG3 LYS 103 HG3 LYS 103 -33.459 0.849 -3.011 652 HD3 LYS 103 HD3 LYS 103 -34.155 3.422 -4.508 653 HE3 LYS 103 HE3 LYS 103 -32.630 0.912 -5.336 654 HZ1 LYS 103 HZ1 LYS 103 -34.008 1.702 -7.152 655 HZ2 LYS 103 HZ2 LYS 103 -32.410 1.984 -7.432 656 HZ3 LYS 103 HZ3 LYS 103 -33.386 3.232 -6.997 657 H ALA 104 H ALA 104 -34.744 4.950 0.687 658 HA ALA 104 HA ALA 104 -37.452 5.847 -0.036 659 HB1 ALA 104 HB1 ALA 104 -37.837 3.842 1.307 660 HB2 ALA 104 HB2 ALA 104 -36.729 4.438 2.569 661 HB3 ALA 104 HB3 ALA 104 -38.250 5.296 2.238 662 H LEU 105 H LEU 105 -36.407 7.803 -0.491 663 HA LEU 105 HA LEU 105 -35.690 9.411 1.873 664 HB3 LEU 105 HB3 LEU 105 -34.144 9.695 -0.729 665 HG LEU 105 HG LEU 105 -33.448 10.346 2.178 666 HD11 LEU 105 HD11 LEU 105 -31.395 11.331 1.253 667 HD12 LEU 105 HD12 LEU 105 -31.891 10.856 -0.391 668 HD13 LEU 105 HD13 LEU 105 -31.517 9.617 0.828 669 HD21 LEU 105 HD21 LEU 105 -34.035 12.280 -0.104 670 HD22 LEU 105 HD22 LEU 105 -33.347 12.733 1.471 671 HD23 LEU 105 HD23 LEU 105 -34.980 12.079 1.385 672 H LEU 106 H LEU 106 -38.169 9.403 1.230 673 HA LEU 106 HA LEU 106 -38.541 12.057 0.290 674 HB3 LEU 106 HB3 LEU 106 -40.355 9.899 -0.861 675 HG LEU 106 HG LEU 106 -41.096 12.392 -0.726 676 HD11 LEU 106 HD11 LEU 106 -40.242 13.867 -2.504 677 HD12 LEU 106 HD12 LEU 106 -39.064 12.629 -2.991 678 HD13 LEU 106 HD13 LEU 106 -38.930 13.417 -1.410 679 HD21 LEU 106 HD21 LEU 106 -42.222 10.759 -2.151 680 HD22 LEU 106 HD22 LEU 106 -41.013 11.010 -3.433 681 HD23 LEU 106 HD23 LEU 106 -42.111 12.327 -2.961 682 H GLU 107 H GLU 107 -40.513 12.860 1.308 683 HA GLU 107 HA GLU 107 -42.164 11.059 2.870 684 HB3 GLU 107 HB3 GLU 107 -40.534 13.393 3.992 685 HG3 GLU 107 HG3 GLU 107 -41.840 12.070 6.095 686 H ARG 108 H ARG 108 -44.214 11.773 2.320 687 HA ARG 108 HA ARG 108 -45.099 14.164 2.983 688 HB3 ARG 108 HB3 ARG 108 -45.816 14.506 0.171 689 HG3 ARG 108 HG3 ARG 108 -46.015 16.201 1.995 690 HD3 ARG 108 HD3 ARG 108 -43.000 16.567 1.610 691 HE ARG 108 HE ARG 108 -44.712 18.548 2.256 692 HH11 ARG 108 HH11 ARG 108 -42.617 16.655 4.454 693 HH12 ARG 108 HH12 ARG 108 -42.025 17.997 5.317 694 HH21 ARG 108 HH21 ARG 108 -44.163 20.319 3.572 695 HH22 ARG 108 HH22 ARG 108 -43.059 20.150 4.900 696 H THR 109 H THR 109 -47.538 14.487 1.887 697 HA THR 109 HA THR 109 -48.817 12.174 0.977 698 HB THR 109 HB THR 109 -48.789 11.602 3.363 699 HG1 THR 109 HG1 THR 109 -50.979 11.344 3.513 700 HG21 THR 109 HG21 THR 109 -48.540 13.865 4.378 701 HG22 THR 109 HG22 THR 109 -49.909 12.961 5.066 702 HG23 THR 109 HG23 THR 109 -50.201 14.250 3.885 703 H GLY 110 H GLY 110 -50.825 12.987 0.121 704 HA2 GLY 110 HA2 GLY 110 -51.788 15.627 0.437 705 HA3 GLY 110 HA3 GLY 110 -50.640 15.683 -0.895 706 H TYR 111 H TYR 111 -52.087 12.596 -1.162 707 HA TYR 111 HA TYR 111 -54.579 13.461 -2.343 708 HB3 TYR 111 HB3 TYR 111 -53.498 11.576 -4.177 709 HD1 TYR 111 HD1 TYR 111 -52.858 15.272 -4.399 710 HD2 TYR 111 HD2 TYR 111 -55.430 11.996 -5.538 711 HE1 TYR 111 HE1 TYR 111 -54.072 16.753 -5.976 712 HE2 TYR 111 HE2 TYR 111 -56.614 13.475 -7.113 713 HH TYR 111 HH TYR 111 -57.014 15.763 -7.689 714 H THR 112 H THR 112 -56.056 11.705 -2.161 715 HA THR 112 HA THR 112 -55.133 9.069 -1.368 716 HB THR 112 HB THR 112 -57.246 10.445 0.314 717 HG1 THR 112 HG1 THR 112 -55.803 11.053 1.793 718 HG21 THR 112 HG21 THR 112 -56.617 8.783 2.019 719 HG22 THR 112 HG22 THR 112 -55.344 8.149 0.955 720 HG23 THR 112 HG23 THR 112 -57.059 7.970 0.522 721 H LEU 113 H LEU 113 -57.134 7.583 -1.547 722 HA LEU 113 HA LEU 113 -59.134 8.568 -3.474 723 HB3 LEU 113 HB3 LEU 113 -59.592 5.938 -2.187 724 HG LEU 113 HG LEU 113 -59.657 5.066 -4.429 725 HD11 LEU 113 HD11 LEU 113 -61.150 7.715 -4.472 726 HD12 LEU 113 HD12 LEU 113 -61.703 6.235 -3.674 727 HD13 LEU 113 HD13 LEU 113 -61.506 6.268 -5.436 728 HD21 LEU 113 HD21 LEU 113 -58.803 7.787 -5.495 729 HD22 LEU 113 HD22 LEU 113 -59.193 6.340 -6.437 730 HD23 LEU 113 HD23 LEU 113 -57.767 6.349 -5.385 731 H ASP 114 H ASP 114 -58.668 8.986 -0.213 732 HA ASP 114 HA ASP 114 -61.537 9.358 0.360 733 HB3 ASP 114 HB3 ASP 114 -59.515 7.997 2.181 734 H VAL 115 H VAL 115 -60.791 11.440 -0.432 735 HA VAL 115 HA VAL 115 -60.635 13.141 1.779 736 HB VAL 115 HB VAL 115 -59.016 14.786 0.869 737 HG11 VAL 115 HG11 VAL 115 -57.524 12.256 1.500 738 HG12 VAL 115 HG12 VAL 115 -56.979 13.926 1.698 739 HG13 VAL 115 HG13 VAL 115 -58.302 13.293 2.703 740 HG21 VAL 115 HG21 VAL 115 -57.301 14.142 -0.770 741 HG22 VAL 115 HG22 VAL 115 -58.137 12.590 -1.035 742 HG23 VAL 115 HG23 VAL 115 -58.931 14.126 -1.449 743 H THR 116 H THR 116 -61.031 15.532 0.727 744 HA THR 116 HA THR 116 -63.020 15.342 -1.389 745 HB THR 116 HB THR 116 -63.062 17.827 -0.974 746 HG1 THR 116 HG1 THR 116 -60.896 17.981 -0.294 747 HG21 THR 116 HG21 THR 116 -64.477 16.228 0.335 748 HG22 THR 116 HG22 THR 116 -64.019 17.664 1.286 749 HG23 THR 116 HG23 THR 116 -63.190 16.114 1.554 750 H THR 117 H THR 117 -61.499 14.303 -2.929 751 HA THR 117 HA THR 117 -59.219 15.777 -3.891 752 HB THR 117 HB THR 117 -59.629 13.288 -3.955 753 HG1 THR 117 HG1 THR 117 -58.822 14.454 -6.431 754 HG21 THR 117 HG21 THR 117 -61.904 13.247 -4.928 755 HG22 THR 117 HG22 THR 117 -60.739 12.267 -5.839 756 HG23 THR 117 HG23 THR 117 -61.244 13.847 -6.468 757 H GLY 118 H GLY 118 -59.039 16.473 -6.146 758 HA2 GLY 118 HA2 GLY 118 -61.411 16.673 -7.725 759 HA3 GLY 118 HA3 GLY 118 -60.304 18.076 -7.777 Start of MODEL 11 1 H1 GLY 1 H1 GLY 1 -1.440 -14.721 -1.039 2 HA2 GLY 1 HA2 GLY 1 -0.060 -12.284 -1.959 3 HA3 GLY 1 HA3 GLY 1 0.447 -13.256 -0.558 4 H SER 2 H SER 2 1.436 -12.490 -3.482 5 HA SER 2 HA SER 2 2.026 -14.886 -4.867 6 HB3 SER 2 HB3 SER 2 3.909 -13.169 -5.721 7 HG SER 2 HG SER 2 2.492 -12.472 -7.119 8 H GLU 3 H GLU 3 4.522 -15.281 -5.381 9 HA GLU 3 HA GLU 3 5.514 -16.844 -3.340 10 HB3 GLU 3 HB3 GLU 3 6.044 -16.907 -5.796 11 HG3 GLU 3 HG3 GLU 3 8.368 -15.062 -5.181 12 H ASN 4 H ASN 4 6.152 -13.458 -3.913 13 HA ASN 4 HA ASN 4 8.401 -13.078 -2.199 14 HB3 ASN 4 HB3 ASN 4 7.693 -11.618 -4.101 15 HD21 ASN 4 HD21 ASN 4 6.198 -9.526 -1.732 16 HD22 ASN 4 HD22 ASN 4 4.615 -9.558 -2.494 17 H PHE 5 H PHE 5 5.252 -13.869 -1.234 18 HA PHE 5 HA PHE 5 4.867 -12.068 0.967 19 HB3 PHE 5 HB3 PHE 5 3.884 -14.906 0.428 20 HD1 PHE 5 HD1 PHE 5 1.875 -12.047 1.562 21 HD2 PHE 5 HD2 PHE 5 3.840 -15.699 2.782 22 HE1 PHE 5 HE1 PHE 5 0.562 -12.073 3.593 23 HE2 PHE 5 HE2 PHE 5 2.562 -15.665 4.902 24 HZ PHE 5 HZ PHE 5 0.891 -13.853 5.316 25 H GLN 6 H GLN 6 5.936 -15.475 0.942 26 HA GLN 6 HA GLN 6 6.524 -15.565 3.691 27 HB3 GLN 6 HB3 GLN 6 7.337 -17.367 1.376 28 HG3 GLN 6 HG3 GLN 6 8.556 -18.132 3.329 29 HE21 GLN 6 HE21 GLN 6 8.564 -17.206 5.387 30 HE22 GLN 6 HE22 GLN 6 7.469 -17.772 6.641 31 H THR 7 H THR 7 8.625 -14.432 1.107 32 HA THR 7 HA THR 7 11.092 -14.875 2.553 33 HB THR 7 HB THR 7 10.894 -14.462 0.090 34 HG1 THR 7 HG1 THR 7 12.672 -12.572 1.153 35 HG21 THR 7 HG21 THR 7 9.440 -12.590 -0.048 36 HG22 THR 7 HG22 THR 7 10.978 -12.212 -0.800 37 HG23 THR 7 HG23 THR 7 10.598 -11.533 0.799 38 H LEU 8 H LEU 8 8.616 -12.313 2.624 39 HA LEU 8 HA LEU 8 10.133 -10.358 4.041 40 HB3 LEU 8 HB3 LEU 8 7.840 -9.520 4.709 41 HG LEU 8 HG LEU 8 8.110 -10.342 1.778 42 HD11 LEU 8 HD11 LEU 8 5.800 -9.955 2.349 43 HD12 LEU 8 HD12 LEU 8 6.375 -8.605 1.396 44 HD13 LEU 8 HD13 LEU 8 6.219 -8.410 3.158 45 HD21 LEU 8 HD21 LEU 8 8.666 -7.867 1.552 46 HD22 LEU 8 HD22 LEU 8 9.906 -8.894 2.285 47 HD23 LEU 8 HD23 LEU 8 8.901 -7.850 3.317 48 H LEU 9 H LEU 9 7.962 -12.998 5.157 49 HA LEU 9 HA LEU 9 8.087 -12.490 7.891 50 HB3 LEU 9 HB3 LEU 9 7.728 -15.135 7.822 51 HG LEU 9 HG LEU 9 5.503 -15.069 7.170 52 HD11 LEU 9 HD11 LEU 9 4.658 -13.356 8.716 53 HD12 LEU 9 HD12 LEU 9 6.167 -12.483 8.661 54 HD13 LEU 9 HD13 LEU 9 6.110 -14.121 9.373 55 HD21 LEU 9 HD21 LEU 9 4.366 -13.211 6.182 56 HD22 LEU 9 HD22 LEU 9 5.715 -13.759 5.163 57 HD23 LEU 9 HD23 LEU 9 5.887 -12.276 6.141 58 H ASP 10 H ASP 10 10.322 -14.367 5.823 59 HA ASP 10 HA ASP 10 11.896 -15.241 8.115 60 HB3 ASP 10 HB3 ASP 10 12.637 -15.266 5.173 61 H ALA 11 H ALA 11 11.908 -12.503 6.027 62 HA ALA 11 HA ALA 11 14.599 -11.622 6.654 63 HB1 ALA 11 HB1 ALA 11 13.481 -11.214 4.521 64 HB2 ALA 11 HB2 ALA 11 12.202 -10.303 5.347 65 HB3 ALA 11 HB3 ALA 11 13.871 -9.675 5.342 66 H GLY 12 H GLY 12 12.061 -11.910 8.691 67 HA2 GLY 12 HA2 GLY 12 12.305 -11.131 10.866 68 HA3 GLY 12 HA3 GLY 12 13.103 -9.680 10.334 69 H LEU 13 H LEU 13 10.416 -9.998 8.300 70 HA LEU 13 HA LEU 13 9.214 -7.749 9.764 71 HB3 LEU 13 HB3 LEU 13 7.891 -7.420 7.686 72 HG LEU 13 HG LEU 13 9.463 -6.435 6.377 73 HD11 LEU 13 HD11 LEU 13 10.961 -5.240 7.762 74 HD12 LEU 13 HD12 LEU 13 11.183 -6.599 8.870 75 HD13 LEU 13 HD13 LEU 13 9.647 -5.708 8.841 76 HD21 LEU 13 HD21 LEU 13 10.742 -8.372 5.665 77 HD22 LEU 13 HD22 LEU 13 11.591 -8.411 7.219 78 HD23 LEU 13 HD23 LEU 13 11.823 -7.046 6.139 79 HA PRO 14 HA PRO 14 5.760 -9.993 11.249 80 HB3 PRO 14 HB3 PRO 14 5.244 -8.042 12.440 81 HG3 PRO 14 HG3 PRO 14 5.362 -5.894 11.417 82 HD3 PRO 14 HD3 PRO 14 7.512 -6.912 11.194 83 H GLN 15 H GLN 15 3.813 -10.885 10.668 84 HA GLN 15 HA GLN 15 3.374 -11.661 8.002 85 HB3 GLN 15 HB3 GLN 15 1.441 -11.675 10.298 86 HG3 GLN 15 HG3 GLN 15 0.938 -12.652 7.834 87 HE21 GLN 15 HE21 GLN 15 0.298 -14.941 7.244 88 HE22 GLN 15 HE22 GLN 15 1.544 -16.194 7.282 89 H LYS 16 H LYS 16 1.580 -9.184 9.966 90 HA LYS 16 HA LYS 16 -0.351 -8.449 8.089 91 HB3 LYS 16 HB3 LYS 16 -0.591 -7.474 10.207 92 HG3 LYS 16 HG3 LYS 16 2.288 -6.527 9.947 93 HD3 LYS 16 HD3 LYS 16 0.164 -5.555 11.887 94 HE3 LYS 16 HE3 LYS 16 2.442 -4.458 12.801 95 HZ1 LYS 16 HZ1 LYS 16 2.630 -6.382 14.330 96 HZ2 LYS 16 HZ2 LYS 16 1.376 -7.102 13.497 97 HZ3 LYS 16 HZ3 LYS 16 1.167 -5.646 14.234 98 H VAL 17 H VAL 17 3.093 -7.419 8.174 99 HA VAL 17 HA VAL 17 2.627 -5.318 6.224 100 HB VAL 17 HB VAL 17 5.127 -6.598 7.379 101 HG11 VAL 17 HG11 VAL 17 4.922 -4.403 5.293 102 HG12 VAL 17 HG12 VAL 17 6.381 -4.772 6.240 103 HG13 VAL 17 HG13 VAL 17 5.726 -5.983 5.132 104 HG21 VAL 17 HG21 VAL 17 3.744 -5.070 8.847 105 HG22 VAL 17 HG22 VAL 17 5.355 -4.440 8.504 106 HG23 VAL 17 HG23 VAL 17 3.936 -3.806 7.636 107 H ALA 18 H ALA 18 3.855 -8.723 6.082 108 HA ALA 18 HA ALA 18 4.117 -8.786 3.270 109 HB1 ALA 18 HB1 ALA 18 3.265 -11.069 5.104 110 HB2 ALA 18 HB2 ALA 18 4.002 -11.205 3.499 111 HB3 ALA 18 HB3 ALA 18 4.945 -10.536 4.843 112 H GLU 19 H GLU 19 1.272 -9.517 5.270 113 HA GLU 19 HA GLU 19 -0.528 -10.216 3.246 114 HB3 GLU 19 HB3 GLU 19 -2.251 -9.491 4.994 115 HG3 GLU 19 HG3 GLU 19 -1.277 -11.156 6.717 116 H LYS 20 H LYS 20 0.654 -6.923 3.864 117 HA LYS 20 HA LYS 20 -1.509 -5.902 2.075 118 HB3 LYS 20 HB3 LYS 20 -0.375 -3.700 2.611 119 HG3 LYS 20 HG3 LYS 20 -2.568 -4.453 3.502 120 HD3 LYS 20 HD3 LYS 20 -1.068 -4.885 6.140 121 HE3 LYS 20 HE3 LYS 20 -3.426 -5.742 6.694 122 HZ1 LYS 20 HZ1 LYS 20 -3.095 -2.873 6.028 123 HZ2 LYS 20 HZ2 LYS 20 -2.951 -3.600 7.523 124 HZ3 LYS 20 HZ3 LYS 20 -4.402 -3.453 6.792 125 H LEU 21 H LEU 21 2.053 -6.216 2.442 126 HA LEU 21 HA LEU 21 2.767 -4.787 0.091 127 HB3 LEU 21 HB3 LEU 21 4.234 -6.980 1.627 128 HG LEU 21 HG LEU 21 5.572 -6.629 -0.294 129 HD11 LEU 21 HD11 LEU 21 6.364 -4.239 -0.915 130 HD12 LEU 21 HD12 LEU 21 4.976 -3.671 0.035 131 HD13 LEU 21 HD13 LEU 21 4.732 -4.684 -1.395 132 HD21 LEU 21 HD21 LEU 21 6.704 -6.426 1.953 133 HD22 LEU 21 HD22 LEU 21 6.640 -4.668 1.784 134 HD23 LEU 21 HD23 LEU 21 7.577 -5.645 0.627 135 H ASP 22 H ASP 22 2.031 -8.270 0.568 136 HA ASP 22 HA ASP 22 3.060 -9.189 -1.847 137 HB3 ASP 22 HB3 ASP 22 2.167 -10.738 -0.234 138 H GLU 23 H GLU 23 -0.053 -7.565 -1.322 139 HA GLU 23 HA GLU 23 -1.262 -8.030 -3.634 140 HB3 GLU 23 HB3 GLU 23 -1.177 -5.346 -2.159 141 HG3 GLU 23 HG3 GLU 23 -3.543 -6.976 -3.042 142 H ILE 24 H ILE 24 1.366 -5.774 -3.053 143 HA ILE 24 HA ILE 24 1.057 -4.074 -5.380 144 HB ILE 24 HB ILE 24 3.350 -4.604 -3.450 145 HG13 ILE 24 HG13 ILE 24 1.230 -3.519 -2.557 146 HG21 ILE 24 HG21 ILE 24 4.525 -2.683 -4.300 147 HG22 ILE 24 HG22 ILE 24 4.252 -3.791 -5.635 148 HG23 ILE 24 HG23 ILE 24 3.238 -2.343 -5.463 149 HD11 ILE 24 HD11 ILE 24 3.315 -2.909 -1.440 150 HD12 ILE 24 HD12 ILE 24 3.544 -1.557 -2.583 151 HD13 ILE 24 HD13 ILE 24 2.156 -1.581 -1.484 152 H TYR 25 H TYR 25 2.822 -7.047 -4.589 153 HA TYR 25 HA TYR 25 4.226 -7.247 -7.125 154 HB3 TYR 25 HB3 TYR 25 4.755 -9.543 -6.341 155 HD1 TYR 25 HD1 TYR 25 4.442 -7.147 -3.475 156 HD2 TYR 25 HD2 TYR 25 7.038 -9.046 -6.302 157 HE1 TYR 25 HE1 TYR 25 6.413 -6.121 -2.342 158 HE2 TYR 25 HE2 TYR 25 9.034 -7.979 -5.179 159 HH TYR 25 HH TYR 25 9.746 -6.703 -3.221 160 H VAL 26 H VAL 26 0.904 -7.755 -6.364 161 HA VAL 26 HA VAL 26 0.554 -9.850 -8.423 162 HB VAL 26 HB VAL 26 -1.378 -8.523 -6.488 163 HG11 VAL 26 HG11 VAL 26 -2.919 -10.373 -7.111 164 HG12 VAL 26 HG12 VAL 26 -2.616 -9.280 -8.463 165 HG13 VAL 26 HG13 VAL 26 -1.805 -10.857 -8.401 166 HG21 VAL 26 HG21 VAL 26 -1.327 -10.734 -5.415 167 HG22 VAL 26 HG22 VAL 26 -0.071 -11.277 -6.552 168 HG23 VAL 26 HG23 VAL 26 0.269 -9.993 -5.371 169 H ALA 27 H ALA 27 -0.281 -6.407 -7.813 170 HA ALA 27 HA ALA 27 -1.772 -6.214 -10.294 171 HB1 ALA 27 HB1 ALA 27 -2.268 -4.813 -8.333 172 HB2 ALA 27 HB2 ALA 27 -0.682 -3.981 -8.549 173 HB3 ALA 27 HB3 ALA 27 -1.954 -3.845 -9.769 174 H GLY 28 H GLY 28 1.364 -6.888 -10.280 175 HA2 GLY 28 HA2 GLY 28 3.099 -6.517 -11.713 176 HA3 GLY 28 HA3 GLY 28 1.995 -5.573 -12.709 177 H LEU 29 H LEU 29 2.306 -4.349 -9.487 178 HA LEU 29 HA LEU 29 3.455 -1.881 -10.457 179 HB3 LEU 29 HB3 LEU 29 3.737 -1.480 -7.912 180 HG LEU 29 HG LEU 29 1.046 -1.941 -9.239 181 HD11 LEU 29 HD11 LEU 29 1.549 -0.934 -6.415 182 HD12 LEU 29 HD12 LEU 29 0.712 -2.433 -6.875 183 HD13 LEU 29 HD13 LEU 29 -0.008 -0.861 -7.275 184 HD21 LEU 29 HD21 LEU 29 2.337 0.042 -9.971 185 HD22 LEU 29 HD22 LEU 29 2.535 0.551 -8.280 186 HD23 LEU 29 HD23 LEU 29 0.930 0.540 -9.021 187 H VAL 30 H VAL 30 4.803 -4.929 -9.395 188 HA VAL 30 HA VAL 30 7.435 -3.805 -9.977 189 HB VAL 30 HB VAL 30 8.386 -5.360 -8.234 190 HG11 VAL 30 HG11 VAL 30 6.775 -3.014 -7.059 191 HG12 VAL 30 HG12 VAL 30 8.312 -3.663 -6.448 192 HG13 VAL 30 HG13 VAL 30 8.258 -2.795 -7.992 193 HG21 VAL 30 HG21 VAL 30 6.452 -6.666 -7.608 194 HG22 VAL 30 HG22 VAL 30 7.051 -5.771 -6.199 195 HG23 VAL 30 HG23 VAL 30 5.591 -5.224 -7.023 196 H ALA 31 H ALA 31 8.863 -5.244 -10.827 197 HA ALA 31 HA ALA 31 7.849 -7.777 -11.814 198 HB1 ALA 31 HB1 ALA 31 9.009 -6.131 -13.331 199 HB2 ALA 31 HB2 ALA 31 10.478 -6.302 -12.349 200 HB3 ALA 31 HB3 ALA 31 9.859 -7.684 -13.280 201 H HIS 32 H HIS 32 8.555 -7.407 -8.960 202 HA HIS 32 HA HIS 32 9.446 -8.572 -7.271 203 HB3 HIS 32 HB3 HIS 32 9.780 -10.741 -9.355 204 HD1 HIS 32 HD1 HIS 32 10.187 -13.108 -8.386 205 HD2 HIS 32 HD2 HIS 32 9.283 -10.175 -5.503 206 HE1 HIS 32 HE1 HIS 32 10.513 -14.195 -6.090 207 H SER 33 H SER 33 11.433 -7.481 -9.554 208 HA SER 33 HA SER 33 13.578 -7.482 -7.536 209 HB3 SER 33 HB3 SER 33 14.644 -7.638 -10.309 210 HG SER 33 HG SER 33 15.877 -7.565 -8.332 211 H ASP 34 H ASP 34 11.520 -5.610 -8.224 212 HA ASP 34 HA ASP 34 12.884 -3.368 -9.625 213 HB3 ASP 34 HB3 ASP 34 10.456 -2.398 -8.810 214 H LEU 35 H LEU 35 12.958 -4.676 -6.599 215 HA LEU 35 HA LEU 35 13.568 -2.045 -5.348 216 HB3 LEU 35 HB3 LEU 35 13.243 -3.151 -3.159 217 HG LEU 35 HG LEU 35 10.638 -3.308 -4.719 218 HD11 LEU 35 HD11 LEU 35 10.669 -4.191 -2.396 219 HD12 LEU 35 HD12 LEU 35 9.691 -2.718 -2.510 220 HD13 LEU 35 HD13 LEU 35 11.325 -2.644 -1.817 221 HD21 LEU 35 HD21 LEU 35 10.272 -0.932 -4.062 222 HD22 LEU 35 HD22 LEU 35 11.576 -1.104 -5.224 223 HD23 LEU 35 HD23 LEU 35 11.964 -0.838 -3.506 224 H ASP 36 H ASP 36 15.593 -1.755 -4.967 225 HA ASP 36 HA ASP 36 17.634 -3.868 -5.090 226 HB3 ASP 36 HB3 ASP 36 18.988 -1.629 -4.305 227 H GLU 37 H GLU 37 19.339 -3.806 -3.553 228 HA GLU 37 HA GLU 37 18.791 -4.816 -1.042 229 HB3 GLU 37 HB3 GLU 37 21.271 -3.446 -2.180 230 HG3 GLU 37 HG3 GLU 37 21.107 -5.502 0.059 231 H ARG 38 H ARG 38 19.598 -1.510 -2.040 232 HA ARG 38 HA ARG 38 19.989 -0.455 0.499 233 HB3 ARG 38 HB3 ARG 38 19.533 1.795 -0.489 234 HG3 ARG 38 HG3 ARG 38 21.070 0.054 -2.469 235 HD3 ARG 38 HD3 ARG 38 20.641 3.085 -2.350 236 HE ARG 38 HE ARG 38 21.895 2.109 -4.721 237 HH11 ARG 38 HH11 ARG 38 22.563 3.433 -1.508 238 HH12 ARG 38 HH12 ARG 38 24.162 3.970 -1.912 239 HH21 ARG 38 HH21 ARG 38 23.845 3.038 -5.332 240 HH22 ARG 38 HH22 ARG 38 24.826 3.906 -4.186 241 H ALA 39 H ALA 39 17.003 -0.809 -1.389 242 HA ALA 39 HA ALA 39 15.348 0.688 0.526 243 HB1 ALA 39 HB1 ALA 39 13.468 0.025 -0.961 244 HB2 ALA 39 HB2 ALA 39 14.744 0.846 -1.858 245 HB3 ALA 39 HB3 ALA 39 14.586 -0.927 -1.957 246 H ILE 40 H ILE 40 16.046 -2.720 -0.379 247 HA ILE 40 HA ILE 40 14.130 -3.965 1.300 248 HB ILE 40 HB ILE 40 16.886 -4.912 0.448 249 HG13 ILE 40 HG13 ILE 40 15.674 -6.278 -1.201 250 HG21 ILE 40 HG21 ILE 40 16.218 -6.244 2.361 251 HG22 ILE 40 HG22 ILE 40 14.608 -6.503 1.665 252 HG23 ILE 40 HG23 ILE 40 16.043 -7.215 0.905 253 HD11 ILE 40 HD11 ILE 40 13.453 -5.624 -1.994 254 HD12 ILE 40 HD12 ILE 40 13.367 -6.351 -0.387 255 HD13 ILE 40 HD13 ILE 40 13.214 -4.586 -0.584 256 H GLU 41 H GLU 41 17.476 -2.917 2.069 257 HA GLU 41 HA GLU 41 17.598 -3.758 4.774 258 HB3 GLU 41 HB3 GLU 41 18.876 -1.168 4.505 259 HG3 GLU 41 HG3 GLU 41 20.989 -2.357 4.079 260 H ALA 42 H ALA 42 16.485 -0.613 3.419 261 HA ALA 42 HA ALA 42 15.757 0.361 6.078 262 HB1 ALA 42 HB1 ALA 42 16.534 1.889 4.343 263 HB2 ALA 42 HB2 ALA 42 15.164 1.436 3.298 264 HB3 ALA 42 HB3 ALA 42 14.885 2.299 4.839 265 H LEU 43 H LEU 43 14.202 -1.737 3.862 266 HA LEU 43 HA LEU 43 11.563 -1.390 5.154 267 HB3 LEU 43 HB3 LEU 43 10.936 -3.250 3.482 268 HG LEU 43 HG LEU 43 11.914 -0.557 2.515 269 HD11 LEU 43 HD11 LEU 43 11.973 -2.386 0.743 270 HD12 LEU 43 HD12 LEU 43 11.015 -0.960 0.414 271 HD13 LEU 43 HD13 LEU 43 10.198 -2.469 0.908 272 HD21 LEU 43 HD21 LEU 43 9.475 -0.064 2.335 273 HD22 LEU 43 HD22 LEU 43 9.954 -0.406 3.998 274 HD23 LEU 43 HD23 LEU 43 9.113 -1.647 3.058 275 H LYS 44 H LYS 44 14.320 -2.633 6.247 276 HA LYS 44 HA LYS 44 13.007 -4.918 7.557 277 HB3 LYS 44 HB3 LYS 44 15.975 -4.315 7.616 278 HG3 LYS 44 HG3 LYS 44 14.171 -6.690 8.180 279 HD3 LYS 44 HD3 LYS 44 16.265 -7.231 6.698 280 HE3 LYS 44 HE3 LYS 44 18.073 -8.095 8.308 281 HZ1 LYS 44 HZ1 LYS 44 18.368 -6.185 6.801 282 HZ2 LYS 44 HZ2 LYS 44 19.347 -6.203 8.089 283 HZ3 LYS 44 HZ3 LYS 44 18.092 -5.157 8.063 284 H GLU 45 H GLU 45 13.613 -1.548 7.959 285 HA GLU 45 HA GLU 45 12.673 -2.048 10.659 286 HB3 GLU 45 HB3 GLU 45 15.038 -1.507 10.889 287 HG3 GLU 45 HG3 GLU 45 14.304 1.259 9.853 288 H PHE 46 H PHE 46 10.757 -1.332 10.932 289 HA PHE 46 HA PHE 46 10.237 1.476 10.697 290 HB3 PHE 46 HB3 PHE 46 9.346 1.135 8.593 291 HD1 PHE 46 HD1 PHE 46 7.852 -1.888 10.353 292 HD2 PHE 46 HD2 PHE 46 9.794 -0.305 6.829 293 HE1 PHE 46 HE1 PHE 46 7.722 -4.109 9.282 294 HE2 PHE 46 HE2 PHE 46 9.586 -2.538 5.742 295 HZ PHE 46 HZ PHE 46 8.578 -4.419 6.949 296 H ASN 47 H ASN 47 7.849 1.664 11.675 297 HA ASN 47 HA ASN 47 7.411 -0.337 13.796 298 HB3 ASN 47 HB3 ASN 47 7.155 1.920 14.593 299 HD21 ASN 47 HD21 ASN 47 4.219 2.912 14.300 300 HD22 ASN 47 HD22 ASN 47 4.309 3.955 12.884 301 H GLU 48 H GLU 48 5.166 -1.009 13.973 302 HA GLU 48 HA GLU 48 4.131 -2.575 12.004 303 HB3 GLU 48 HB3 GLU 48 2.890 -1.079 14.330 304 HG3 GLU 48 HG3 GLU 48 1.343 -2.797 12.363 305 H ASP 49 H ASP 49 3.074 0.797 12.649 306 HA ASP 49 HA ASP 49 1.410 0.685 10.237 307 HB3 ASP 49 HB3 ASP 49 1.662 3.034 12.048 308 H GLY 50 H GLY 50 4.603 1.289 10.750 309 HA2 GLY 50 HA2 GLY 50 4.982 3.693 9.206 310 HA3 GLY 50 HA3 GLY 50 6.246 2.571 9.747 311 H ALA 51 H ALA 51 5.811 0.245 8.684 312 HA ALA 51 HA ALA 51 6.352 0.307 5.911 313 HB1 ALA 51 HB1 ALA 51 6.735 -1.673 7.248 314 HB2 ALA 51 HB2 ALA 51 5.038 -1.817 7.678 315 HB3 ALA 51 HB3 ALA 51 5.571 -2.102 6.001 316 H LEU 52 H LEU 52 3.308 -0.166 7.689 317 HA LEU 52 HA LEU 52 1.792 -0.612 5.356 318 HB3 LEU 52 HB3 LEU 52 -0.149 -0.363 7.060 319 HG LEU 52 HG LEU 52 2.160 -2.138 8.003 320 HD11 LEU 52 HD11 LEU 52 -0.835 -2.301 8.461 321 HD12 LEU 52 HD12 LEU 52 0.400 -1.928 9.681 322 HD13 LEU 52 HD13 LEU 52 0.344 -3.546 8.956 323 HD21 LEU 52 HD21 LEU 52 0.925 -3.950 6.742 324 HD22 LEU 52 HD22 LEU 52 1.765 -2.780 5.733 325 HD23 LEU 52 HD23 LEU 52 0.005 -2.659 5.936 326 H ALA 53 H ALA 53 2.655 2.417 6.794 327 HA ALA 53 HA ALA 53 0.677 3.975 5.268 328 HB1 ALA 53 HB1 ALA 53 2.030 5.896 6.098 329 HB2 ALA 53 HB2 ALA 53 1.484 4.845 7.412 330 HB3 ALA 53 HB3 ALA 53 3.180 4.783 6.872 331 H VAL 54 H VAL 54 4.106 3.059 5.159 332 HA VAL 54 HA VAL 54 4.776 4.911 3.075 333 HB VAL 54 HB VAL 54 6.114 2.460 4.334 334 HG11 VAL 54 HG11 VAL 54 8.254 2.991 3.321 335 HG12 VAL 54 HG12 VAL 54 7.076 2.570 2.080 336 HG13 VAL 54 HG13 VAL 54 7.509 4.274 2.343 337 HG21 VAL 54 HG21 VAL 54 6.952 5.381 4.446 338 HG22 VAL 54 HG22 VAL 54 5.916 4.622 5.649 339 HG23 VAL 54 HG23 VAL 54 7.562 4.017 5.418 340 H LEU 55 H LEU 55 4.213 1.441 3.134 341 HA LEU 55 HA LEU 55 4.649 0.957 0.336 342 HB3 LEU 55 HB3 LEU 55 3.411 -1.194 0.985 343 HG LEU 55 HG LEU 55 5.697 -0.374 2.853 344 HD11 LEU 55 HD11 LEU 55 6.048 -2.796 3.161 345 HD12 LEU 55 HD12 LEU 55 4.587 -3.122 2.187 346 HD13 LEU 55 HD13 LEU 55 4.443 -2.295 3.719 347 HD21 LEU 55 HD21 LEU 55 5.697 -1.615 0.089 348 HD22 LEU 55 HD22 LEU 55 7.076 -1.752 1.207 349 HD23 LEU 55 HD23 LEU 55 6.526 -0.167 0.651 350 H GLN 56 H GLN 56 1.891 2.120 2.230 351 HA GLN 56 HA GLN 56 -0.125 1.603 0.300 352 HB3 GLN 56 HB3 GLN 56 -0.577 4.126 1.733 353 HG3 GLN 56 HG3 GLN 56 -2.296 2.912 2.971 354 HE21 GLN 56 HE21 GLN 56 -1.728 1.322 -0.248 355 HE22 GLN 56 HE22 GLN 56 -2.958 2.257 -1.069 356 H GLN 57 H GLN 57 1.697 4.554 0.978 357 HA GLN 57 HA GLN 57 0.895 6.075 -1.261 358 HB3 GLN 57 HB3 GLN 57 3.110 7.241 -1.029 359 HG3 GLN 57 HG3 GLN 57 1.717 6.625 1.618 360 HE21 GLN 57 HE21 GLN 57 3.361 9.326 -0.283 361 HE22 GLN 57 HE22 GLN 57 4.148 9.941 1.174 362 H PHE 58 H PHE 58 3.505 3.663 -1.048 363 HA PHE 58 HA PHE 58 4.556 4.070 -3.635 364 HB3 PHE 58 HB3 PHE 58 4.522 1.521 -2.020 365 HD1 PHE 58 HD1 PHE 58 6.779 3.725 -4.159 366 HD2 PHE 58 HD2 PHE 58 5.689 -0.278 -2.951 367 HE1 PHE 58 HE1 PHE 58 8.375 2.788 -5.783 368 HE2 PHE 58 HE2 PHE 58 7.353 -1.193 -4.515 369 HZ PHE 58 HZ PHE 58 8.676 0.330 -5.981 370 H LYS 59 H LYS 59 1.715 2.374 -2.714 371 HA LYS 59 HA LYS 59 1.247 0.972 -5.209 372 HB3 LYS 59 HB3 LYS 59 -1.144 1.015 -4.529 373 HG3 LYS 59 HG3 LYS 59 0.308 0.544 -1.942 374 HD3 LYS 59 HD3 LYS 59 -1.920 -0.409 -2.306 375 HE3 LYS 59 HE3 LYS 59 -0.694 -2.364 -4.263 376 HZ1 LYS 59 HZ1 LYS 59 -2.935 -2.739 -3.234 377 HZ2 LYS 59 HZ2 LYS 59 -2.910 -2.698 -4.880 378 HZ3 LYS 59 HZ3 LYS 59 -3.478 -1.407 -4.072 379 H ASP 60 H ASP 60 1.126 4.244 -4.417 380 HA ASP 60 HA ASP 60 -0.534 4.912 -6.805 381 HB3 ASP 60 HB3 ASP 60 -0.633 6.389 -4.167 382 H SER 61 H SER 61 2.590 5.227 -5.780 383 HA SER 61 HA SER 61 3.054 7.984 -6.343 384 HB3 SER 61 HB3 SER 61 5.298 7.436 -6.412 385 HG SER 61 HG SER 61 4.622 6.837 -4.389 386 H ASP 62 H ASP 62 4.098 8.816 -8.306 387 HA ASP 62 HA ASP 62 2.822 7.891 -10.760 388 HB3 ASP 62 HB3 ASP 62 4.777 10.122 -10.155 389 H LEU 63 H LEU 63 3.626 5.811 -10.910 390 HA LEU 63 HA LEU 63 6.540 5.408 -11.265 391 HB3 LEU 63 HB3 LEU 63 5.917 2.983 -11.130 392 HG LEU 63 HG LEU 63 4.786 4.713 -8.887 393 HD11 LEU 63 HD11 LEU 63 3.871 2.482 -8.753 394 HD12 LEU 63 HD12 LEU 63 5.033 2.762 -7.453 395 HD13 LEU 63 HD13 LEU 63 5.499 1.765 -8.857 396 HD21 LEU 63 HD21 LEU 63 6.882 4.274 -7.706 397 HD22 LEU 63 HD22 LEU 63 7.186 5.123 -9.219 398 HD23 LEU 63 HD23 LEU 63 7.509 3.377 -9.102 399 H SER 64 H SER 64 4.972 6.872 -13.335 400 HA SER 64 HA SER 64 4.486 5.104 -15.474 401 HB3 SER 64 HB3 SER 64 5.026 8.064 -15.801 402 HG SER 64 HG SER 64 4.511 7.152 -17.677 403 H HIS 65 H HIS 65 7.353 7.217 -14.919 404 HA HIS 65 HA HIS 65 8.763 5.754 -17.119 405 HB3 HIS 65 HB3 HIS 65 8.842 8.697 -16.384 406 HD1 HIS 65 HD1 HIS 65 10.022 6.422 -19.400 407 HD2 HIS 65 HD2 HIS 65 10.954 9.884 -17.152 408 HE1 HIS 65 HE1 HIS 65 12.047 7.478 -20.495 409 H VAL 66 H VAL 66 8.714 5.641 -14.016 410 HA VAL 66 HA VAL 66 11.040 6.571 -12.866 411 HB VAL 66 HB VAL 66 9.179 5.896 -11.588 412 HG11 VAL 66 HG11 VAL 66 9.559 3.014 -12.498 413 HG12 VAL 66 HG12 VAL 66 8.407 3.594 -11.283 414 HG13 VAL 66 HG13 VAL 66 8.235 4.077 -12.968 415 HG21 VAL 66 HG21 VAL 66 11.380 5.648 -10.496 416 HG22 VAL 66 HG22 VAL 66 10.199 4.473 -9.878 417 HG23 VAL 66 HG23 VAL 66 11.436 3.946 -11.019 418 H GLN 67 H GLN 67 13.093 6.242 -13.400 419 HA GLN 67 HA GLN 67 14.088 4.066 -14.856 420 HB3 GLN 67 HB3 GLN 67 16.220 4.984 -13.190 421 HG3 GLN 67 HG3 GLN 67 17.077 6.117 -15.045 422 HE21 GLN 67 HE21 GLN 67 14.843 4.595 -17.206 423 HE22 GLN 67 HE22 GLN 67 15.899 3.194 -17.528 424 H ASN 68 H ASN 68 13.801 4.448 -11.343 425 HA ASN 68 HA ASN 68 14.601 1.619 -10.889 426 HB3 ASN 68 HB3 ASN 68 15.703 4.097 -9.492 427 HD21 ASN 68 HD21 ASN 68 17.891 3.254 -8.350 428 HD22 ASN 68 HD22 ASN 68 17.591 1.981 -7.194 429 H LYS 69 H LYS 69 12.491 1.038 -10.326 430 HA LYS 69 HA LYS 69 10.647 2.594 -8.929 431 HB3 LYS 69 HB3 LYS 69 9.865 0.124 -8.155 432 HG3 LYS 69 HG3 LYS 69 9.809 1.362 -10.936 433 HD3 LYS 69 HD3 LYS 69 8.222 -0.995 -9.874 434 HE3 LYS 69 HE3 LYS 69 7.779 0.705 -12.386 435 HZ1 LYS 69 HZ1 LYS 69 6.457 -1.757 -11.451 436 HZ2 LYS 69 HZ2 LYS 69 7.282 -1.599 -12.871 437 HZ3 LYS 69 HZ3 LYS 69 5.842 -0.821 -12.605 438 H SER 70 H SER 70 13.300 0.699 -7.422 439 HA SER 70 HA SER 70 12.578 1.022 -4.764 440 HB3 SER 70 HB3 SER 70 14.743 0.561 -4.225 441 HG SER 70 HG SER 70 15.161 0.101 -6.979 442 H ALA 71 H ALA 71 13.968 3.496 -6.951 443 HA ALA 71 HA ALA 71 14.725 5.272 -4.809 444 HB1 ALA 71 HB1 ALA 71 14.374 5.837 -7.801 445 HB2 ALA 71 HB2 ALA 71 15.311 6.797 -6.644 446 HB3 ALA 71 HB3 ALA 71 15.843 5.161 -7.063 447 H PHE 72 H PHE 72 11.624 4.591 -6.227 448 HA PHE 72 HA PHE 72 10.498 7.198 -5.406 449 HB3 PHE 72 HB3 PHE 72 8.438 5.286 -5.587 450 HD1 PHE 72 HD1 PHE 72 7.611 7.694 -5.346 451 HD2 PHE 72 HD2 PHE 72 9.672 6.256 -8.838 452 HE1 PHE 72 HE1 PHE 72 6.569 9.470 -6.713 453 HE2 PHE 72 HE2 PHE 72 8.549 7.972 -10.210 454 HZ PHE 72 HZ PHE 72 6.988 9.575 -9.157 455 H LEU 73 H LEU 73 10.705 3.810 -4.208 456 HA LEU 73 HA LEU 73 9.022 4.281 -1.947 457 HB3 LEU 73 HB3 LEU 73 11.024 2.090 -2.622 458 HG LEU 73 HG LEU 73 10.386 1.769 -0.274 459 HD11 LEU 73 HD11 LEU 73 8.317 3.141 -0.182 460 HD12 LEU 73 HD12 LEU 73 8.007 1.487 0.350 461 HD13 LEU 73 HD13 LEU 73 7.534 1.984 -1.286 462 HD21 LEU 73 HD21 LEU 73 8.801 0.039 -2.232 463 HD22 LEU 73 HD22 LEU 73 9.104 -0.393 -0.553 464 HD23 LEU 73 HD23 LEU 73 10.463 -0.227 -1.689 465 H CYS 74 H CYS 74 12.490 4.514 -2.554 466 HA CYS 74 HA CYS 74 13.398 4.864 0.094 467 HB3 CYS 74 HB3 CYS 74 14.691 4.550 -2.190 468 HG CYS 74 HG CYS 74 13.618 6.759 -3.388 469 H GLY 75 H GLY 75 11.536 7.067 -1.914 470 HA2 GLY 75 HA2 GLY 75 12.403 9.521 -0.614 471 HA3 GLY 75 HA3 GLY 75 11.073 9.303 -1.766 472 H VAL 76 H VAL 76 9.271 7.741 -0.837 473 HA VAL 76 HA VAL 76 7.990 9.142 1.176 474 HB VAL 76 HB VAL 76 6.603 7.878 -0.200 475 HG11 VAL 76 HG11 VAL 76 7.989 6.170 -1.063 476 HG12 VAL 76 HG12 VAL 76 8.121 5.379 0.523 477 HG13 VAL 76 HG13 VAL 76 6.560 5.428 -0.336 478 HG21 VAL 76 HG21 VAL 76 5.860 8.015 2.150 479 HG22 VAL 76 HG22 VAL 76 5.261 6.559 1.347 480 HG23 VAL 76 HG23 VAL 76 6.600 6.440 2.480 481 H MET 77 H MET 77 10.036 6.138 1.657 482 HA MET 77 HA MET 77 9.296 5.960 4.384 483 HB3 MET 77 HB3 MET 77 10.306 4.105 3.110 484 HG3 MET 77 HG3 MET 77 12.836 5.609 3.748 485 HE1 MET 77 HE1 MET 77 12.711 1.389 1.824 486 HE2 MET 77 HE2 MET 77 11.511 1.933 3.001 487 HE3 MET 77 HE3 MET 77 11.550 2.670 1.371 488 H LYS 78 H LYS 78 11.439 8.308 2.939 489 HA LYS 78 HA LYS 78 12.798 8.791 5.529 490 HB3 LYS 78 HB3 LYS 78 13.086 10.590 3.114 491 HG3 LYS 78 HG3 LYS 78 15.207 9.545 5.040 492 HD3 LYS 78 HD3 LYS 78 16.193 11.781 4.784 493 HE3 LYS 78 HE3 LYS 78 15.578 10.536 2.074 494 HZ1 LYS 78 HZ1 LYS 78 16.507 12.854 2.085 495 HZ2 LYS 78 HZ2 LYS 78 17.461 11.731 1.327 496 HZ3 LYS 78 HZ3 LYS 78 17.847 12.279 2.812 497 H THR 79 H THR 79 10.616 10.443 3.164 498 HA THR 79 HA THR 79 10.060 12.782 4.575 499 HB THR 79 HB THR 79 8.318 11.178 2.655 500 HG1 THR 79 HG1 THR 79 9.603 11.825 1.128 501 HG21 THR 79 HG21 THR 79 7.523 13.402 1.896 502 HG22 THR 79 HG22 THR 79 8.488 14.192 3.167 503 HG23 THR 79 HG23 THR 79 7.123 13.137 3.595 504 H TYR 80 H TYR 80 8.001 9.795 4.516 505 HA TYR 80 HA TYR 80 5.933 10.943 5.892 506 HB3 TYR 80 HB3 TYR 80 6.256 8.634 4.696 507 HD1 TYR 80 HD1 TYR 80 8.553 7.633 5.598 508 HD2 TYR 80 HD2 TYR 80 4.882 7.458 7.827 509 HE1 TYR 80 HE1 TYR 80 9.402 5.635 6.742 510 HE2 TYR 80 HE2 TYR 80 5.684 5.535 9.022 511 HH TYR 80 HH TYR 80 8.953 4.073 8.477 512 H ARG 81 H ARG 81 8.851 9.594 7.330 513 HA ARG 81 HA ARG 81 7.939 9.302 10.000 514 HB3 ARG 81 HB3 ARG 81 10.224 9.192 10.615 515 HG3 ARG 81 HG3 ARG 81 10.062 8.030 7.819 516 HD3 ARG 81 HD3 ARG 81 11.849 7.465 10.190 517 HE ARG 81 HE ARG 81 11.669 6.022 7.558 518 HH11 ARG 81 HH11 ARG 81 12.734 6.035 10.982 519 HH12 ARG 81 HH12 ARG 81 13.805 4.701 10.799 520 HH21 ARG 81 HH21 ARG 81 12.668 3.802 7.610 521 HH22 ARG 81 HH22 ARG 81 13.785 3.486 8.890 522 H GLN 82 H GLN 82 8.583 12.207 8.200 523 HA GLN 82 HA GLN 82 9.270 14.032 10.195 524 HB3 GLN 82 HB3 GLN 82 9.139 14.492 7.761 525 HG3 GLN 82 HG3 GLN 82 6.671 13.451 7.643 526 HE21 GLN 82 HE21 GLN 82 5.257 15.293 5.898 527 HE22 GLN 82 HE22 GLN 82 4.078 16.058 6.947 528 H ARG 83 H ARG 83 6.105 12.540 9.501 529 HA ARG 83 HA ARG 83 4.630 14.270 11.249 530 HB3 ARG 83 HB3 ARG 83 2.955 12.432 11.325 531 HG3 ARG 83 HG3 ARG 83 3.275 14.157 9.333 532 HD3 ARG 83 HD3 ARG 83 4.651 12.593 7.920 533 HE ARG 83 HE ARG 83 3.356 10.483 8.415 534 HH11 ARG 83 HH11 ARG 83 2.194 12.491 5.663 535 HH12 ARG 83 HH12 ARG 83 1.769 11.090 4.735 536 HH21 ARG 83 HH21 ARG 83 2.508 8.780 7.251 537 HH22 ARG 83 HH22 ARG 83 1.835 9.019 5.649 538 H GLU 84 H GLU 84 6.839 11.663 12.014 539 HA GLU 84 HA GLU 84 5.871 11.451 14.797 540 HB3 GLU 84 HB3 GLU 84 7.364 9.725 15.046 541 HG3 GLU 84 HG3 GLU 84 6.966 9.421 12.044 542 H LYS 85 H LYS 85 8.670 12.569 12.872 543 HA LYS 85 HA LYS 85 10.127 13.532 15.214 544 HB3 LYS 85 HB3 LYS 85 11.506 14.445 12.994 545 HG3 LYS 85 HG3 LYS 85 12.517 13.211 14.796 546 HD3 LYS 85 HD3 LYS 85 11.137 10.760 13.672 547 HE3 LYS 85 HE3 LYS 85 13.570 10.335 14.112 548 HZ1 LYS 85 HZ1 LYS 85 12.879 10.913 16.924 549 HZ2 LYS 85 HZ2 LYS 85 13.881 11.875 16.006 550 HZ3 LYS 85 HZ3 LYS 85 14.321 10.342 16.388 551 H GLN 86 H GLN 86 8.774 15.000 16.101 552 HA GLN 86 HA GLN 86 7.690 17.336 15.004 553 HB3 GLN 86 HB3 GLN 86 7.942 18.284 17.300 554 HG3 GLN 86 HG3 GLN 86 7.080 15.348 17.219 555 HE21 GLN 86 HE21 GLN 86 5.153 17.876 18.666 556 HE22 GLN 86 HE22 GLN 86 5.356 17.358 20.317 557 H GLY 87 H GLY 87 8.602 18.898 13.875 558 HA2 GLY 87 HA2 GLY 87 10.793 20.416 13.863 559 HA3 GLY 87 HA3 GLY 87 11.530 18.829 13.557 560 H THR 88 H THR 88 8.312 19.886 12.457 561 HA THR 88 HA THR 88 8.902 20.616 9.832 562 HB THR 88 HB THR 88 7.908 17.770 10.342 563 HG1 THR 88 HG1 THR 88 10.181 18.744 9.771 564 HG21 THR 88 HG21 THR 88 7.493 17.614 7.855 565 HG22 THR 88 HG22 THR 88 7.559 19.374 7.775 566 HG23 THR 88 HG23 THR 88 6.305 18.564 8.745 567 H LYS 89 H LYS 89 6.762 21.214 8.853 568 HA LYS 89 HA LYS 89 4.571 21.326 10.837 569 HB3 LYS 89 HB3 LYS 89 5.619 23.508 10.970 570 HG3 LYS 89 HG3 LYS 89 5.292 24.905 8.680 571 HD3 LYS 89 HD3 LYS 89 7.749 23.346 9.571 572 HE3 LYS 89 HE3 LYS 89 7.379 25.154 7.159 573 HZ1 LYS 89 HZ1 LYS 89 9.867 24.985 7.107 574 HZ2 LYS 89 HZ2 LYS 89 9.852 24.610 8.689 575 HZ3 LYS 89 HZ3 LYS 89 9.232 26.054 8.196 576 H VAL 90 H VAL 90 2.512 22.137 9.657 577 HA VAL 90 HA VAL 90 2.238 20.830 7.030 578 HB VAL 90 HB VAL 90 -0.027 20.063 7.887 579 HG11 VAL 90 HG11 VAL 90 0.889 17.975 8.677 580 HG12 VAL 90 HG12 VAL 90 1.949 18.630 7.413 581 HG13 VAL 90 HG13 VAL 90 2.426 18.753 9.117 582 HG21 VAL 90 HG21 VAL 90 -0.143 21.277 10.064 583 HG22 VAL 90 HG22 VAL 90 -0.294 19.534 10.250 584 HG23 VAL 90 HG23 VAL 90 1.235 20.328 10.650 585 H ALA 91 H ALA 91 2.324 22.714 6.020 586 HA ALA 91 HA ALA 91 -0.124 24.320 6.106 587 HB1 ALA 91 HB1 ALA 91 1.351 25.572 7.647 588 HB2 ALA 91 HB2 ALA 91 2.633 25.607 6.416 589 HB3 ALA 91 HB3 ALA 91 1.102 26.476 6.150 590 H ASP 92 H ASP 92 0.502 22.330 4.246 591 HA ASP 92 HA ASP 92 0.847 24.034 1.877 592 HB3 ASP 92 HB3 ASP 92 2.417 21.446 2.167 593 H SER 93 H SER 93 0.283 22.897 -0.151 594 HA SER 93 HA SER 93 -2.459 22.254 0.119 595 HB3 SER 93 HB3 SER 93 -2.365 22.415 -2.349 596 HG SER 93 HG SER 93 -2.199 24.332 -1.035 597 H SER 94 H SER 94 -2.671 20.251 1.133 598 HA SER 94 HA SER 94 -2.532 17.835 -0.472 599 HB3 SER 94 HB3 SER 94 -1.132 16.956 1.727 600 HG SER 94 HG SER 94 0.588 16.832 0.321 601 H LYS 95 H LYS 95 -4.621 17.342 -0.096 602 HA LYS 95 HA LYS 95 -5.357 16.579 2.687 603 HB3 LYS 95 HB3 LYS 95 -7.748 16.623 1.767 604 HG3 LYS 95 HG3 LYS 95 -6.525 19.400 2.016 605 HD3 LYS 95 HD3 LYS 95 -8.890 19.615 3.210 606 HE3 LYS 95 HE3 LYS 95 -8.402 19.584 0.214 607 HZ1 LYS 95 HZ1 LYS 95 -10.749 19.302 0.485 608 HZ2 LYS 95 HZ2 LYS 95 -10.451 20.888 0.092 609 HZ3 LYS 95 HZ3 LYS 95 -10.844 20.461 1.629 610 H GLY 96 H GLY 96 -6.409 14.438 2.714 611 HA2 GLY 96 HA2 GLY 96 -6.259 12.886 0.158 612 HA3 GLY 96 HA3 GLY 96 -5.737 12.253 1.721 613 HA PRO 97 HA PRO 97 -10.533 12.450 2.006 614 HB3 PRO 97 HB3 PRO 97 -11.446 14.281 0.895 615 HG3 PRO 97 HG3 PRO 97 -10.502 15.087 -1.113 616 HD3 PRO 97 HD3 PRO 97 -8.599 15.011 0.243 617 H ASP 98 H ASP 98 -11.147 10.294 1.962 618 HA ASP 98 HA ASP 98 -11.885 9.449 -0.683 619 HB3 ASP 98 HB3 ASP 98 -10.494 7.379 1.051 620 H GLU 99 H GLU 99 -13.961 8.787 -0.558 621 HA GLU 99 HA GLU 99 -15.270 8.213 2.057 622 HB3 GLU 99 HB3 GLU 99 -15.829 10.426 0.053 623 HG3 GLU 99 HG3 GLU 99 -17.074 10.207 2.815 624 H ALA 100 H ALA 100 -17.489 7.228 1.649 625 HA ALA 100 HA ALA 100 -17.466 5.791 -0.972 626 HB1 ALA 100 HB1 ALA 100 -17.938 4.611 1.777 627 HB2 ALA 100 HB2 ALA 100 -17.892 3.752 0.228 628 HB3 ALA 100 HB3 ALA 100 -16.417 4.504 0.857 629 H LYS 101 H LYS 101 -19.125 6.901 -1.919 630 HA LYS 101 HA LYS 101 -21.821 6.965 -0.754 631 HB3 LYS 101 HB3 LYS 101 -22.511 7.599 -3.047 632 HG3 LYS 101 HG3 LYS 101 -20.047 9.129 -2.147 633 HD3 LYS 101 HD3 LYS 101 -22.187 9.968 -4.153 634 HE3 LYS 101 HE3 LYS 101 -19.506 11.136 -3.288 635 HZ1 LYS 101 HZ1 LYS 101 -19.935 12.827 -4.882 636 HZ2 LYS 101 HZ2 LYS 101 -21.331 12.080 -5.407 637 HZ3 LYS 101 HZ3 LYS 101 -19.845 11.399 -5.646 638 H ILE 102 H ILE 102 -21.885 4.668 -0.102 639 HA ILE 102 HA ILE 102 -21.957 2.575 -2.149 640 HB ILE 102 HB ILE 102 -23.265 2.511 0.589 641 HG13 ILE 102 HG13 ILE 102 -21.283 1.447 1.521 642 HG21 ILE 102 HG21 ILE 102 -22.912 0.054 0.377 643 HG22 ILE 102 HG22 ILE 102 -23.948 0.692 -0.901 644 HG23 ILE 102 HG23 ILE 102 -22.263 0.297 -1.259 645 HD11 ILE 102 HD11 ILE 102 -19.825 2.234 -1.045 646 HD12 ILE 102 HD12 ILE 102 -19.073 1.677 0.460 647 HD13 ILE 102 HD13 ILE 102 -20.099 0.573 -0.461 648 H LYS 103 H LYS 103 -24.201 4.869 -0.658 649 HA LYS 103 HA LYS 103 -26.660 3.960 -1.675 650 HB3 LYS 103 HB3 LYS 103 -26.502 5.683 0.004 651 HG3 LYS 103 HG3 LYS 103 -24.468 6.916 -1.241 652 HD3 LYS 103 HD3 LYS 103 -26.281 7.633 -3.103 653 HE3 LYS 103 HE3 LYS 103 -26.930 9.960 -2.773 654 HZ1 LYS 103 HZ1 LYS 103 -28.563 8.272 -2.075 655 HZ2 LYS 103 HZ2 LYS 103 -28.709 9.678 -1.267 656 HZ3 LYS 103 HZ3 LYS 103 -28.005 8.399 -0.511 657 H ALA 104 H ALA 104 -24.055 5.364 -3.460 658 HA ALA 104 HA ALA 104 -25.731 6.324 -5.669 659 HB1 ALA 104 HB1 ALA 104 -23.621 6.870 -6.717 660 HB2 ALA 104 HB2 ALA 104 -23.725 7.559 -5.085 661 HB3 ALA 104 HB3 ALA 104 -22.736 6.106 -5.379 662 H LEU 105 H LEU 105 -26.476 3.772 -5.312 663 HA LEU 105 HA LEU 105 -25.185 2.177 -7.441 664 HB3 LEU 105 HB3 LEU 105 -25.970 1.291 -4.634 665 HG LEU 105 HG LEU 105 -26.101 -0.615 -6.249 666 HD11 LEU 105 HD11 LEU 105 -23.153 0.065 -6.728 667 HD12 LEU 105 HD12 LEU 105 -24.444 0.137 -7.948 668 HD13 LEU 105 HD13 LEU 105 -23.958 -1.420 -7.270 669 HD21 LEU 105 HD21 LEU 105 -24.609 -2.105 -5.012 670 HD22 LEU 105 HD22 LEU 105 -25.389 -0.954 -3.910 671 HD23 LEU 105 HD23 LEU 105 -23.700 -0.711 -4.377 672 H LEU 106 H LEU 106 -26.906 0.210 -7.883 673 HA LEU 106 HA LEU 106 -29.605 1.450 -7.994 674 HB3 LEU 106 HB3 LEU 106 -28.279 0.345 -10.488 675 HG LEU 106 HG LEU 106 -30.417 2.497 -10.065 676 HD11 LEU 106 HD11 LEU 106 -28.993 2.898 -12.017 677 HD12 LEU 106 HD12 LEU 106 -30.611 2.425 -12.539 678 HD13 LEU 106 HD13 LEU 106 -29.280 1.246 -12.608 679 HD21 LEU 106 HD21 LEU 106 -31.996 0.967 -11.218 680 HD22 LEU 106 HD22 LEU 106 -31.484 0.345 -9.656 681 HD23 LEU 106 HD23 LEU 106 -30.777 -0.326 -11.149 682 H GLU 107 H GLU 107 -29.643 -0.182 -6.247 683 HA GLU 107 HA GLU 107 -30.009 -2.981 -6.879 684 HB3 GLU 107 HB3 GLU 107 -29.607 -1.989 -4.613 685 HG3 GLU 107 HG3 GLU 107 -32.564 -1.449 -4.352 686 H ARG 108 H ARG 108 -32.257 -4.015 -6.989 687 HA ARG 108 HA ARG 108 -34.517 -2.463 -7.186 688 HB3 ARG 108 HB3 ARG 108 -33.562 -2.030 -9.531 689 HG3 ARG 108 HG3 ARG 108 -35.014 -4.518 -10.405 690 HD3 ARG 108 HD3 ARG 108 -34.309 -2.647 -11.963 691 HE ARG 108 HE ARG 108 -32.045 -2.544 -10.641 692 HH11 ARG 108 HH11 ARG 108 -32.319 -3.711 -14.018 693 HH12 ARG 108 HH12 ARG 108 -30.575 -3.687 -14.208 694 HH21 ARG 108 HH21 ARG 108 -29.834 -2.618 -10.982 695 HH22 ARG 108 HH22 ARG 108 -29.219 -2.972 -12.584 696 H THR 109 H THR 109 -36.137 -4.507 -8.629 697 HA THR 109 HA THR 109 -35.642 -6.942 -7.233 698 HB THR 109 HB THR 109 -36.827 -5.478 -5.647 699 HG1 THR 109 HG1 THR 109 -38.560 -6.923 -5.334 700 HG21 THR 109 HG21 THR 109 -39.122 -4.686 -6.091 701 HG22 THR 109 HG22 THR 109 -39.046 -5.327 -7.747 702 HG23 THR 109 HG23 THR 109 -37.997 -3.983 -7.269 703 H GLY 110 H GLY 110 -36.783 -8.469 -8.298 704 HA2 GLY 110 HA2 GLY 110 -38.125 -7.853 -10.911 705 HA3 GLY 110 HA3 GLY 110 -37.206 -9.357 -10.664 706 H TYR 111 H TYR 111 -38.153 -11.048 -9.419 707 HA TYR 111 HA TYR 111 -40.389 -10.469 -7.682 708 HB3 TYR 111 HB3 TYR 111 -40.764 -12.871 -9.445 709 HD1 TYR 111 HD1 TYR 111 -42.116 -13.464 -7.302 710 HD2 TYR 111 HD2 TYR 111 -42.996 -10.045 -9.785 711 HE1 TYR 111 HE1 TYR 111 -44.369 -13.339 -6.312 712 HE2 TYR 111 HE2 TYR 111 -45.276 -9.937 -8.833 713 HH TYR 111 HH TYR 111 -46.819 -10.978 -7.429 714 H THR 112 H THR 112 -40.557 -12.352 -6.087 715 HA THR 112 HA THR 112 -38.904 -14.614 -6.457 716 HB THR 112 HB THR 112 -37.201 -12.883 -5.695 717 HG1 THR 112 HG1 THR 112 -36.857 -15.078 -5.312 718 HG21 THR 112 HG21 THR 112 -37.111 -12.177 -3.388 719 HG22 THR 112 HG22 THR 112 -38.613 -13.039 -3.006 720 HG23 THR 112 HG23 THR 112 -38.648 -11.626 -4.086 721 H LEU 113 H LEU 113 -39.482 -16.222 -4.927 722 HA LEU 113 HA LEU 113 -40.219 -15.733 -2.401 723 HB3 LEU 113 HB3 LEU 113 -42.494 -15.446 -3.210 724 HG LEU 113 HG LEU 113 -42.015 -17.856 -4.804 725 HD11 LEU 113 HD11 LEU 113 -44.142 -19.017 -4.337 726 HD12 LEU 113 HD12 LEU 113 -44.437 -17.936 -2.954 727 HD13 LEU 113 HD13 LEU 113 -43.066 -19.061 -2.930 728 HD21 LEU 113 HD21 LEU 113 -44.449 -16.024 -4.608 729 HD22 LEU 113 HD22 LEU 113 -44.018 -17.104 -5.961 730 HD23 LEU 113 HD23 LEU 113 -43.000 -15.706 -5.584 731 H ASP 114 H ASP 114 -41.009 -18.377 -1.810 732 HA ASP 114 HA ASP 114 -38.692 -19.773 -1.748 733 HB3 ASP 114 HB3 ASP 114 -40.063 -21.583 -0.845 734 H VAL 115 H VAL 115 -39.961 -19.399 -4.758 735 HA VAL 115 HA VAL 115 -39.018 -21.972 -5.718 736 HB VAL 115 HB VAL 115 -41.401 -22.344 -5.025 737 HG11 VAL 115 HG11 VAL 115 -42.342 -20.138 -5.632 738 HG12 VAL 115 HG12 VAL 115 -42.144 -20.524 -7.351 739 HG13 VAL 115 HG13 VAL 115 -43.249 -21.480 -6.341 740 HG21 VAL 115 HG21 VAL 115 -42.060 -23.661 -6.879 741 HG22 VAL 115 HG22 VAL 115 -41.066 -22.735 -8.012 742 HG23 VAL 115 HG23 VAL 115 -40.297 -23.746 -6.760 743 H THR 116 H THR 116 -39.144 -21.989 -8.221 744 HA THR 116 HA THR 116 -37.947 -19.735 -9.448 745 HB THR 116 HB THR 116 -38.449 -21.188 -11.494 746 HG1 THR 116 HG1 THR 116 -40.213 -22.230 -10.641 747 HG21 THR 116 HG21 THR 116 -36.831 -22.936 -10.903 748 HG22 THR 116 HG22 THR 116 -37.002 -22.557 -9.174 749 HG23 THR 116 HG23 THR 116 -36.295 -21.362 -10.291 750 H THR 117 H THR 117 -39.302 -18.087 -8.971 751 HA THR 117 HA THR 117 -41.983 -17.954 -10.246 752 HB THR 117 HB THR 117 -40.722 -15.823 -8.485 753 HG1 THR 117 HG1 THR 117 -40.726 -17.938 -7.421 754 HG21 THR 117 HG21 THR 117 -43.137 -15.457 -7.886 755 HG22 THR 117 HG22 THR 117 -43.601 -16.716 -9.034 756 HG23 THR 117 HG23 THR 117 -42.843 -15.214 -9.614 757 H GLY 118 H GLY 118 -39.691 -18.247 -11.839 758 HA2 GLY 118 HA2 GLY 118 -39.342 -16.610 -13.931 759 HA3 GLY 118 HA3 GLY 118 -38.421 -15.879 -12.581 Start of MODEL 12 1 H1 GLY 1 H1 GLY 1 15.895 -15.777 -6.001 2 HA2 GLY 1 HA2 GLY 1 15.843 -12.825 -5.800 3 HA3 GLY 1 HA3 GLY 1 14.499 -13.841 -6.353 4 H SER 2 H SER 2 13.027 -14.486 -4.809 5 HA SER 2 HA SER 2 13.409 -15.578 -2.352 6 HB3 SER 2 HB3 SER 2 12.331 -13.656 -0.914 7 HG SER 2 HG SER 2 15.022 -13.548 -1.757 8 H GLU 3 H GLU 3 11.145 -15.725 -1.157 9 HA GLU 3 HA GLU 3 9.159 -16.505 -2.961 10 HB3 GLU 3 HB3 GLU 3 9.283 -17.216 -0.618 11 HG3 GLU 3 HG3 GLU 3 7.895 -14.633 0.192 12 H ASN 4 H ASN 4 9.427 -13.577 -1.104 13 HA ASN 4 HA ASN 4 7.183 -12.120 -1.951 14 HB3 ASN 4 HB3 ASN 4 8.202 -11.637 0.124 15 HD21 ASN 4 HD21 ASN 4 10.832 -10.013 -1.922 16 HD22 ASN 4 HD22 ASN 4 12.081 -10.758 -0.950 17 H PHE 5 H PHE 5 9.813 -12.821 -3.937 18 HA PHE 5 HA PHE 5 10.117 -10.248 -5.257 19 HB3 PHE 5 HB3 PHE 5 10.673 -13.101 -6.137 20 HD1 PHE 5 HD1 PHE 5 11.448 -9.467 -6.882 21 HD2 PHE 5 HD2 PHE 5 11.744 -13.582 -8.162 22 HE1 PHE 5 HE1 PHE 5 12.326 -8.750 -9.070 23 HE2 PHE 5 HE2 PHE 5 12.686 -12.852 -10.304 24 HZ PHE 5 HZ PHE 5 13.066 -10.443 -10.745 25 H GLN 6 H GLN 6 8.376 -13.252 -6.025 26 HA GLN 6 HA GLN 6 7.301 -12.234 -8.470 27 HB3 GLN 6 HB3 GLN 6 6.563 -14.710 -6.830 28 HG3 GLN 6 HG3 GLN 6 5.007 -14.463 -8.730 29 HE21 GLN 6 HE21 GLN 6 5.296 -12.566 -10.007 30 HE22 GLN 6 HE22 GLN 6 6.304 -12.603 -11.475 31 H THR 7 H THR 7 5.947 -12.227 -5.196 32 HA THR 7 HA THR 7 3.239 -11.949 -6.079 33 HB THR 7 HB THR 7 4.216 -12.596 -3.770 34 HG1 THR 7 HG1 THR 7 2.169 -12.609 -3.748 35 HG21 THR 7 HG21 THR 7 4.372 -10.931 -2.079 36 HG22 THR 7 HG22 THR 7 4.074 -9.633 -3.248 37 HG23 THR 7 HG23 THR 7 5.566 -10.595 -3.344 38 H LEU 8 H LEU 8 5.879 -9.591 -5.588 39 HA LEU 8 HA LEU 8 4.344 -7.219 -5.717 40 HB3 LEU 8 HB3 LEU 8 6.587 -6.175 -6.401 41 HG LEU 8 HG LEU 8 6.581 -8.262 -4.152 42 HD11 LEU 8 HD11 LEU 8 8.842 -7.960 -4.952 43 HD12 LEU 8 HD12 LEU 8 8.614 -7.169 -3.360 44 HD13 LEU 8 HD13 LEU 8 8.678 -6.202 -4.840 45 HD21 LEU 8 HD21 LEU 8 6.317 -5.230 -4.115 46 HD22 LEU 8 HD22 LEU 8 6.446 -6.285 -2.690 47 HD23 LEU 8 HD23 LEU 8 5.044 -6.435 -3.741 48 H LEU 9 H LEU 9 5.859 -9.175 -8.200 49 HA LEU 9 HA LEU 9 5.288 -7.634 -10.530 50 HB3 LEU 9 HB3 LEU 9 5.369 -10.128 -11.503 51 HG LEU 9 HG LEU 9 7.472 -8.249 -10.624 52 HD11 LEU 9 HD11 LEU 9 8.261 -11.181 -10.793 53 HD12 LEU 9 HD12 LEU 9 8.248 -10.188 -9.317 54 HD13 LEU 9 HD13 LEU 9 9.345 -9.787 -10.629 55 HD21 LEU 9 HD21 LEU 9 6.736 -8.472 -12.934 56 HD22 LEU 9 HD22 LEU 9 7.179 -10.199 -12.953 57 HD23 LEU 9 HD23 LEU 9 8.432 -8.976 -12.824 58 H ASP 10 H ASP 10 3.206 -9.655 -8.541 59 HA ASP 10 HA ASP 10 1.060 -9.373 -10.591 60 HB3 ASP 10 HB3 ASP 10 0.470 -11.051 -8.242 61 H ALA 11 H ALA 11 1.966 -8.151 -7.517 62 HA ALA 11 HA ALA 11 -0.647 -7.334 -6.634 63 HB1 ALA 11 HB1 ALA 11 2.171 -6.398 -5.984 64 HB2 ALA 11 HB2 ALA 11 0.714 -5.994 -5.035 65 HB3 ALA 11 HB3 ALA 11 1.267 -7.685 -5.164 66 H GLY 12 H GLY 12 1.646 -6.031 -8.913 67 HA2 GLY 12 HA2 GLY 12 0.198 -4.430 -10.414 68 HA3 GLY 12 HA3 GLY 12 0.281 -3.380 -9.008 69 H LEU 13 H LEU 13 3.226 -4.879 -8.778 70 HA LEU 13 HA LEU 13 4.433 -2.411 -9.850 71 HB3 LEU 13 HB3 LEU 13 6.304 -2.986 -8.494 72 HG LEU 13 HG LEU 13 5.572 -2.620 -6.395 73 HD11 LEU 13 HD11 LEU 13 2.835 -2.060 -7.612 74 HD12 LEU 13 HD12 LEU 13 4.249 -1.059 -7.979 75 HD13 LEU 13 HD13 LEU 13 3.681 -1.209 -6.322 76 HD21 LEU 13 HD21 LEU 13 4.624 -4.833 -5.975 77 HD22 LEU 13 HD22 LEU 13 3.102 -4.348 -6.748 78 HD23 LEU 13 HD23 LEU 13 3.646 -3.545 -5.264 79 HA PRO 14 HA PRO 14 6.342 -4.660 -13.204 80 HB3 PRO 14 HB3 PRO 14 6.859 -2.550 -14.094 81 HG3 PRO 14 HG3 PRO 14 7.712 -0.797 -12.654 82 HD3 PRO 14 HD3 PRO 14 5.590 -1.494 -11.787 83 H GLN 15 H GLN 15 8.215 -5.777 -13.806 84 HA GLN 15 HA GLN 15 9.665 -7.374 -12.173 85 HB3 GLN 15 HB3 GLN 15 10.687 -6.048 -14.679 86 HG3 GLN 15 HG3 GLN 15 12.265 -7.569 -13.278 87 HE21 GLN 15 HE21 GLN 15 11.690 -9.220 -11.761 88 HE22 GLN 15 HE22 GLN 15 10.909 -10.709 -12.282 89 H LYS 16 H LYS 16 11.055 -4.386 -13.503 90 HA LYS 16 HA LYS 16 13.358 -4.247 -12.027 91 HB3 LYS 16 HB3 LYS 16 13.254 -2.896 -13.845 92 HG3 LYS 16 HG3 LYS 16 10.857 -1.471 -12.702 93 HD3 LYS 16 HD3 LYS 16 12.551 -1.107 -15.186 94 HE3 LYS 16 HE3 LYS 16 10.354 -1.660 -16.113 95 HZ1 LYS 16 HZ1 LYS 16 9.398 0.414 -14.280 96 HZ2 LYS 16 HZ2 LYS 16 8.643 -0.965 -14.779 97 HZ3 LYS 16 HZ3 LYS 16 8.727 0.298 -15.786 98 H VAL 17 H VAL 17 10.192 -2.984 -10.926 99 HA VAL 17 HA VAL 17 11.353 -1.765 -8.547 100 HB VAL 17 HB VAL 17 8.547 -2.293 -9.514 101 HG11 VAL 17 HG11 VAL 17 8.171 -2.468 -7.292 102 HG12 VAL 17 HG12 VAL 17 9.260 -1.107 -6.882 103 HG13 VAL 17 HG13 VAL 17 7.733 -0.817 -7.735 104 HG21 VAL 17 HG21 VAL 17 8.412 0.083 -9.925 105 HG22 VAL 17 HG22 VAL 17 9.995 0.332 -9.152 106 HG23 VAL 17 HG23 VAL 17 9.884 -0.535 -10.676 107 H ALA 18 H ALA 18 9.997 -5.027 -9.356 108 HA ALA 18 HA ALA 18 9.863 -5.793 -6.584 109 HB1 ALA 18 HB1 ALA 18 8.556 -6.924 -8.370 110 HB2 ALA 18 HB2 ALA 18 10.070 -7.548 -9.064 111 HB3 ALA 18 HB3 ALA 18 9.583 -8.034 -7.425 112 H GLU 19 H GLU 19 12.319 -5.992 -9.183 113 HA GLU 19 HA GLU 19 14.302 -7.447 -7.669 114 HB3 GLU 19 HB3 GLU 19 15.920 -6.439 -9.282 115 HG3 GLU 19 HG3 GLU 19 13.456 -7.332 -10.809 116 H LYS 20 H LYS 20 13.528 -3.949 -7.940 117 HA LYS 20 HA LYS 20 15.760 -3.283 -6.220 118 HB3 LYS 20 HB3 LYS 20 14.375 -1.001 -6.216 119 HG3 LYS 20 HG3 LYS 20 16.699 -1.388 -6.923 120 HD3 LYS 20 HD3 LYS 20 16.959 -1.598 -9.475 121 HE3 LYS 20 HE3 LYS 20 16.221 -4.290 -8.545 122 HZ1 LYS 20 HZ1 LYS 20 17.673 -3.798 -10.477 123 HZ2 LYS 20 HZ2 LYS 20 18.361 -4.834 -9.385 124 HZ3 LYS 20 HZ3 LYS 20 18.809 -3.246 -9.425 125 H LEU 21 H LEU 21 13.467 -5.165 -5.261 126 HA LEU 21 HA LEU 21 13.302 -4.051 -2.535 127 HB3 LEU 21 HB3 LEU 21 11.050 -5.382 -4.097 128 HG LEU 21 HG LEU 21 10.604 -6.006 -1.865 129 HD11 LEU 21 HD11 LEU 21 12.148 -4.708 -0.496 130 HD12 LEU 21 HD12 LEU 21 10.512 -4.333 0.022 131 HD13 LEU 21 HD13 LEU 21 11.383 -3.191 -0.990 132 HD21 LEU 21 HD21 LEU 21 9.215 -3.325 -2.299 133 HD22 LEU 21 HD22 LEU 21 8.623 -4.671 -1.308 134 HD23 LEU 21 HD23 LEU 21 8.742 -4.849 -3.054 135 H ASP 22 H ASP 22 13.273 -6.986 -4.638 136 HA ASP 22 HA ASP 22 12.982 -8.808 -2.587 137 HB3 ASP 22 HB3 ASP 22 12.979 -9.534 -4.943 138 H GLU 23 H GLU 23 16.151 -7.491 -3.598 139 HA GLU 23 HA GLU 23 17.692 -9.098 -2.143 140 HB3 GLU 23 HB3 GLU 23 19.478 -7.595 -2.170 141 HG3 GLU 23 HG3 GLU 23 17.614 -6.960 -4.275 142 H ILE 24 H ILE 24 15.679 -6.493 -1.040 143 HA ILE 24 HA ILE 24 17.161 -5.685 1.163 144 HB ILE 24 HB ILE 24 14.185 -5.342 0.531 145 HG13 ILE 24 HG13 ILE 24 15.766 -4.400 -1.153 146 HG21 ILE 24 HG21 ILE 24 15.728 -3.658 2.519 147 HG22 ILE 24 HG22 ILE 24 14.022 -3.515 2.071 148 HG23 ILE 24 HG23 ILE 24 14.561 -4.936 2.943 149 HD11 ILE 24 HD11 ILE 24 13.709 -2.988 -0.529 150 HD12 ILE 24 HD12 ILE 24 14.865 -1.972 0.375 151 HD13 ILE 24 HD13 ILE 24 15.060 -2.194 -1.363 152 H TYR 25 H TYR 25 14.629 -8.024 0.528 153 HA TYR 25 HA TYR 25 14.198 -8.953 3.257 154 HB3 TYR 25 HB3 TYR 25 12.969 -10.830 2.061 155 HD1 TYR 25 HD1 TYR 25 11.636 -9.664 3.824 156 HD2 TYR 25 HD2 TYR 25 12.034 -8.087 -0.172 157 HE1 TYR 25 HE1 TYR 25 9.892 -7.954 4.312 158 HE2 TYR 25 HE2 TYR 25 10.158 -6.527 0.273 159 HH TYR 25 HH TYR 25 8.502 -5.811 1.909 160 H VAL 26 H VAL 26 16.893 -9.354 1.257 161 HA VAL 26 HA VAL 26 17.416 -12.089 2.305 162 HB VAL 26 HB VAL 26 18.656 -10.695 -0.086 163 HG11 VAL 26 HG11 VAL 26 18.665 -13.633 0.759 164 HG12 VAL 26 HG12 VAL 26 19.388 -12.952 -0.712 165 HG13 VAL 26 HG13 VAL 26 20.069 -12.535 0.857 166 HG21 VAL 26 HG21 VAL 26 17.225 -12.347 -1.379 167 HG22 VAL 26 HG22 VAL 26 16.422 -12.752 0.147 168 HG23 VAL 26 HG23 VAL 26 16.281 -11.129 -0.541 169 H ALA 27 H ALA 27 18.434 -8.769 2.573 170 HA ALA 27 HA ALA 27 20.851 -9.611 4.111 171 HB1 ALA 27 HB1 ALA 27 20.086 -7.002 2.812 172 HB2 ALA 27 HB2 ALA 27 21.424 -7.157 3.982 173 HB3 ALA 27 HB3 ALA 27 21.451 -8.066 2.468 174 H GLY 28 H GLY 28 17.801 -9.560 4.909 175 HA2 GLY 28 HA2 GLY 28 16.800 -9.528 6.924 176 HA3 GLY 28 HA3 GLY 28 18.391 -9.253 7.631 177 H LEU 29 H LEU 29 17.285 -6.723 5.429 178 HA LEU 29 HA LEU 29 17.397 -4.665 7.372 179 HB3 LEU 29 HB3 LEU 29 16.189 -3.452 5.413 180 HG LEU 29 HG LEU 29 18.682 -3.471 5.724 181 HD11 LEU 29 HD11 LEU 29 19.401 -5.630 5.347 182 HD12 LEU 29 HD12 LEU 29 19.972 -4.739 3.954 183 HD13 LEU 29 HD13 LEU 29 18.523 -5.755 3.780 184 HD21 LEU 29 HD21 LEU 29 19.180 -2.485 3.606 185 HD22 LEU 29 HD22 LEU 29 17.469 -2.120 3.906 186 HD23 LEU 29 HD23 LEU 29 17.937 -3.424 2.786 187 H VAL 30 H VAL 30 14.961 -6.949 6.530 188 HA VAL 30 HA VAL 30 12.854 -5.359 7.781 189 HB VAL 30 HB VAL 30 11.387 -6.350 5.857 190 HG11 VAL 30 HG11 VAL 30 11.774 -3.942 5.977 191 HG12 VAL 30 HG12 VAL 30 13.398 -4.114 5.278 192 HG13 VAL 30 HG13 VAL 30 11.956 -4.459 4.308 193 HG21 VAL 30 HG21 VAL 30 14.128 -6.537 4.509 194 HG22 VAL 30 HG22 VAL 30 13.048 -7.879 4.933 195 HG23 VAL 30 HG23 VAL 30 12.568 -6.679 3.715 196 H ALA 31 H ALA 31 10.946 -6.612 8.302 197 HA ALA 31 HA ALA 31 11.413 -9.474 8.871 198 HB1 ALA 31 HB1 ALA 31 9.721 -7.357 10.280 199 HB2 ALA 31 HB2 ALA 31 9.961 -9.008 10.832 200 HB3 ALA 31 HB3 ALA 31 11.346 -7.875 10.844 201 H HIS 32 H HIS 32 10.446 -9.377 6.439 202 HA HIS 32 HA HIS 32 8.700 -9.551 4.990 203 HB3 HIS 32 HB3 HIS 32 8.342 -11.683 5.361 204 HD1 HIS 32 HD1 HIS 32 10.352 -12.444 6.997 205 HD2 HIS 32 HD2 HIS 32 6.624 -11.559 8.714 206 HE1 HIS 32 HE1 HIS 32 10.364 -13.496 9.360 207 H SER 33 H SER 33 6.544 -9.539 7.788 208 HA SER 33 HA SER 33 4.967 -7.310 6.711 209 HB3 SER 33 HB3 SER 33 3.391 -7.890 8.511 210 HG SER 33 HG SER 33 3.520 -9.033 6.406 211 H ASP 34 H ASP 34 7.109 -6.242 6.977 212 HA ASP 34 HA ASP 34 7.309 -4.753 9.566 213 HB3 ASP 34 HB3 ASP 34 9.252 -4.209 7.423 214 H LEU 35 H LEU 35 5.360 -4.622 7.008 215 HA LEU 35 HA LEU 35 5.618 -1.765 6.335 216 HB3 LEU 35 HB3 LEU 35 4.649 -2.595 4.186 217 HG LEU 35 HG LEU 35 6.506 -3.834 3.305 218 HD11 LEU 35 HD11 LEU 35 7.213 -1.188 4.562 219 HD12 LEU 35 HD12 LEU 35 6.358 -1.504 3.002 220 HD13 LEU 35 HD13 LEU 35 8.068 -1.926 3.183 221 HD21 LEU 35 HD21 LEU 35 8.158 -3.226 5.731 222 HD22 LEU 35 HD22 LEU 35 8.654 -4.073 4.276 223 HD23 LEU 35 HD23 LEU 35 7.490 -4.845 5.354 224 H ASP 36 H ASP 36 4.005 -0.662 7.164 225 HA ASP 36 HA ASP 36 1.468 -1.897 7.947 226 HB3 ASP 36 HB3 ASP 36 0.732 0.436 8.463 227 H GLU 37 H GLU 37 -0.683 -1.071 7.154 228 HA GLU 37 HA GLU 37 -0.933 -1.642 4.387 229 HB3 GLU 37 HB3 GLU 37 -2.961 -0.313 6.237 230 HG3 GLU 37 HG3 GLU 37 -3.380 -1.719 3.569 231 H ARG 38 H ARG 38 -0.839 1.406 6.161 232 HA ARG 38 HA ARG 38 -1.629 3.114 4.074 233 HB3 ARG 38 HB3 ARG 38 -0.630 4.945 5.259 234 HG3 ARG 38 HG3 ARG 38 -0.921 3.453 7.755 235 HD3 ARG 38 HD3 ARG 38 -1.383 5.979 7.177 236 HE ARG 38 HE ARG 38 -3.685 4.670 5.970 237 HH11 ARG 38 HH11 ARG 38 -3.009 7.497 8.052 238 HH12 ARG 38 HH12 ARG 38 -4.337 8.410 7.362 239 HH21 ARG 38 HH21 ARG 38 -5.478 5.983 5.163 240 HH22 ARG 38 HH22 ARG 38 -5.638 7.587 5.796 241 H ALA 39 H ALA 39 1.646 1.836 4.831 242 HA ALA 39 HA ALA 39 2.823 3.480 2.705 243 HB1 ALA 39 HB1 ALA 39 3.945 3.107 4.969 244 HB2 ALA 39 HB2 ALA 39 4.215 1.429 4.461 245 HB3 ALA 39 HB3 ALA 39 4.951 2.799 3.580 246 H ILE 40 H ILE 40 1.748 0.116 3.246 247 HA ILE 40 HA ILE 40 2.775 -1.049 0.850 248 HB ILE 40 HB ILE 40 0.371 -1.546 2.611 249 HG13 ILE 40 HG13 ILE 40 1.492 -3.555 3.295 250 HG21 ILE 40 HG21 ILE 40 -0.470 -2.276 0.463 251 HG22 ILE 40 HG22 ILE 40 0.984 -3.245 0.177 252 HG23 ILE 40 HG23 ILE 40 -0.129 -3.659 1.497 253 HD11 ILE 40 HD11 ILE 40 3.887 -2.827 1.562 254 HD12 ILE 40 HD12 ILE 40 3.718 -4.210 2.655 255 HD13 ILE 40 HD13 ILE 40 2.759 -4.156 1.183 256 H GLU 41 H GLU 41 -0.238 0.832 1.454 257 HA GLU 41 HA GLU 41 -1.227 0.617 -1.190 258 HB3 GLU 41 HB3 GLU 41 -2.167 3.078 -0.199 259 HG3 GLU 41 HG3 GLU 41 -4.030 1.719 0.813 260 H ALA 42 H ALA 42 0.789 3.156 0.294 261 HA ALA 42 HA ALA 42 0.908 4.755 -2.104 262 HB1 ALA 42 HB1 ALA 42 2.763 5.899 -0.973 263 HB2 ALA 42 HB2 ALA 42 1.379 5.687 0.113 264 HB3 ALA 42 HB3 ALA 42 2.795 4.623 0.276 265 H LEU 43 H LEU 43 2.902 2.058 -0.853 266 HA LEU 43 HA LEU 43 4.767 2.059 -3.038 267 HB3 LEU 43 HB3 LEU 43 5.179 -0.363 -2.163 268 HG LEU 43 HG LEU 43 5.639 1.881 -0.192 269 HD11 LEU 43 HD11 LEU 43 6.917 -0.868 -0.521 270 HD12 LEU 43 HD12 LEU 43 5.801 -0.393 0.766 271 HD13 LEU 43 HD13 LEU 43 7.412 0.362 0.644 272 HD21 LEU 43 HD21 LEU 43 6.760 2.475 -2.278 273 HD22 LEU 43 HD22 LEU 43 7.372 0.812 -2.458 274 HD23 LEU 43 HD23 LEU 43 7.966 1.851 -1.155 275 H LYS 44 H LYS 44 1.746 1.974 -3.695 276 HA LYS 44 HA LYS 44 2.022 -0.026 -5.819 277 HB3 LYS 44 HB3 LYS 44 -0.730 0.234 -4.781 278 HG3 LYS 44 HG3 LYS 44 0.938 -2.273 -5.103 279 HD3 LYS 44 HD3 LYS 44 -1.501 -2.171 -4.156 280 HE3 LYS 44 HE3 LYS 44 -2.304 -0.675 -6.131 281 HZ1 LYS 44 HZ1 LYS 44 -3.115 -2.222 -7.955 282 HZ2 LYS 44 HZ2 LYS 44 -1.983 -3.290 -7.463 283 HZ3 LYS 44 HZ3 LYS 44 -1.525 -1.798 -8.036 284 H GLU 45 H GLU 45 1.675 3.219 -5.159 285 HA GLU 45 HA GLU 45 0.291 3.576 -7.769 286 HB3 GLU 45 HB3 GLU 45 -1.232 3.888 -5.842 287 HG3 GLU 45 HG3 GLU 45 0.635 5.209 -4.459 288 H PHE 46 H PHE 46 3.230 3.668 -6.823 289 HA PHE 46 HA PHE 46 4.045 6.423 -7.405 290 HB3 PHE 46 HB3 PHE 46 5.524 5.383 -5.997 291 HD1 PHE 46 HD1 PHE 46 5.586 2.964 -8.948 292 HD2 PHE 46 HD2 PHE 46 5.776 3.517 -4.662 293 HE1 PHE 46 HE1 PHE 46 5.806 0.553 -8.655 294 HE2 PHE 46 HE2 PHE 46 6.076 1.039 -4.403 295 HZ PHE 46 HZ PHE 46 6.045 -0.415 -6.349 296 H ASN 47 H ASN 47 5.605 6.738 -9.162 297 HA ASN 47 HA ASN 47 4.792 5.696 -11.795 298 HB3 ASN 47 HB3 ASN 47 5.200 8.091 -11.710 299 HD21 ASN 47 HD21 ASN 47 8.516 8.284 -12.108 300 HD22 ASN 47 HD22 ASN 47 8.915 8.882 -10.515 301 H GLU 48 H GLU 48 6.630 5.154 -13.207 302 HA GLU 48 HA GLU 48 8.130 2.992 -12.693 303 HB3 GLU 48 HB3 GLU 48 8.916 5.293 -14.535 304 HG3 GLU 48 HG3 GLU 48 9.320 2.355 -15.063 305 H ASP 49 H ASP 49 9.462 6.367 -12.510 306 HA ASP 49 HA ASP 49 12.027 5.387 -11.527 307 HB3 ASP 49 HB3 ASP 49 10.847 8.125 -11.624 308 H GLY 50 H GLY 50 8.999 6.081 -10.016 309 HA2 GLY 50 HA2 GLY 50 9.827 7.459 -7.776 310 HA3 GLY 50 HA3 GLY 50 8.299 6.584 -7.896 311 H ALA 51 H ALA 51 8.887 3.969 -7.819 312 HA ALA 51 HA ALA 51 9.716 3.540 -5.112 313 HB1 ALA 51 HB1 ALA 51 9.656 1.280 -7.128 314 HB2 ALA 51 HB2 ALA 51 9.125 1.344 -5.426 315 HB3 ALA 51 HB3 ALA 51 8.170 2.133 -6.712 316 H LEU 52 H LEU 52 11.261 3.102 -8.307 317 HA LEU 52 HA LEU 52 13.613 1.837 -7.383 318 HB3 LEU 52 HB3 LEU 52 14.626 2.651 -9.564 319 HG LEU 52 HG LEU 52 11.780 1.615 -9.910 320 HD11 LEU 52 HD11 LEU 52 12.643 0.686 -12.036 321 HD12 LEU 52 HD12 LEU 52 14.179 1.544 -11.775 322 HD13 LEU 52 HD13 LEU 52 12.677 2.462 -11.991 323 HD21 LEU 52 HD21 LEU 52 14.399 0.075 -9.663 324 HD22 LEU 52 HD22 LEU 52 12.842 -0.630 -10.102 325 HD23 LEU 52 HD23 LEU 52 13.042 0.079 -8.503 326 H ALA 53 H ALA 53 12.794 5.192 -7.238 327 HA ALA 53 HA ALA 53 15.521 6.103 -6.656 328 HB1 ALA 53 HB1 ALA 53 13.994 7.526 -7.984 329 HB2 ALA 53 HB2 ALA 53 12.818 7.564 -6.646 330 HB3 ALA 53 HB3 ALA 53 14.415 8.317 -6.456 331 H VAL 54 H VAL 54 12.584 5.282 -4.962 332 HA VAL 54 HA VAL 54 13.377 6.462 -2.394 333 HB VAL 54 HB VAL 54 11.092 4.711 -3.428 334 HG11 VAL 54 HG11 VAL 54 11.381 4.012 -1.071 335 HG12 VAL 54 HG12 VAL 54 11.295 5.714 -0.566 336 HG13 VAL 54 HG13 VAL 54 9.900 4.932 -1.330 337 HG21 VAL 54 HG21 VAL 54 9.717 6.658 -3.004 338 HG22 VAL 54 HG22 VAL 54 11.106 7.519 -2.272 339 HG23 VAL 54 HG23 VAL 54 11.104 7.152 -3.989 340 H LEU 55 H LEU 55 12.768 3.110 -3.583 341 HA LEU 55 HA LEU 55 13.617 1.808 -1.335 342 HB3 LEU 55 HB3 LEU 55 13.980 -0.089 -3.045 343 HG LEU 55 HG LEU 55 11.763 0.937 -1.720 344 HD11 LEU 55 HD11 LEU 55 9.867 0.887 -3.069 345 HD12 LEU 55 HD12 LEU 55 10.970 0.925 -4.495 346 HD13 LEU 55 HD13 LEU 55 10.981 2.237 -3.272 347 HD21 LEU 55 HD21 LEU 55 12.466 -1.486 -1.973 348 HD22 LEU 55 HD22 LEU 55 11.692 -1.514 -3.538 349 HD23 LEU 55 HD23 LEU 55 10.719 -1.228 -2.069 350 H GLN 56 H GLN 56 15.571 3.189 -3.915 351 HA GLN 56 HA GLN 56 17.953 1.791 -3.651 352 HB3 GLN 56 HB3 GLN 56 17.619 4.818 -4.029 353 HG3 GLN 56 HG3 GLN 56 19.996 4.200 -3.899 354 HE21 GLN 56 HE21 GLN 56 20.849 2.170 -3.520 355 HE22 GLN 56 HE22 GLN 56 20.410 0.757 -4.401 356 H GLN 57 H GLN 57 17.200 4.733 -2.113 357 HA GLN 57 HA GLN 57 19.250 4.796 -0.144 358 HB3 GLN 57 HB3 GLN 57 18.035 6.504 1.009 359 HG3 GLN 57 HG3 GLN 57 17.148 6.998 -1.840 360 HE21 GLN 57 HE21 GLN 57 17.388 9.225 -2.475 361 HE22 GLN 57 HE22 GLN 57 17.827 10.461 -1.300 362 H PHE 58 H PHE 58 15.969 3.344 0.046 363 HA PHE 58 HA PHE 58 16.079 2.678 2.797 364 HB3 PHE 58 HB3 PHE 58 14.593 1.080 0.688 365 HD1 PHE 58 HD1 PHE 58 13.310 3.102 3.610 366 HD2 PHE 58 HD2 PHE 58 14.161 -0.856 2.084 367 HE1 PHE 58 HE1 PHE 58 11.965 2.078 5.406 368 HE2 PHE 58 HE2 PHE 58 12.803 -1.842 3.905 369 HZ PHE 58 HZ PHE 58 11.684 -0.322 5.563 370 H LYS 59 H LYS 59 17.500 0.982 0.036 371 HA LYS 59 HA LYS 59 18.219 -1.438 1.418 372 HB3 LYS 59 HB3 LYS 59 20.104 -1.512 -0.302 373 HG3 LYS 59 HG3 LYS 59 17.309 -0.960 -1.242 374 HD3 LYS 59 HD3 LYS 59 19.173 -0.870 -3.096 375 HE3 LYS 59 HE3 LYS 59 19.308 -3.818 -2.295 376 HZ1 LYS 59 HZ1 LYS 59 21.004 -4.027 -3.883 377 HZ2 LYS 59 HZ2 LYS 59 20.951 -2.423 -4.331 378 HZ3 LYS 59 HZ3 LYS 59 19.715 -3.503 -4.649 379 H ASP 60 H ASP 60 19.257 1.694 1.955 380 HA ASP 60 HA ASP 60 21.849 0.823 3.189 381 HB3 ASP 60 HB3 ASP 60 21.619 3.486 1.818 382 H SER 61 H SER 61 19.028 1.632 4.324 383 HA SER 61 HA SER 61 19.944 3.756 6.214 384 HB3 SER 61 HB3 SER 61 17.673 3.762 6.977 385 HG SER 61 HG SER 61 18.127 4.593 4.748 386 H ASP 62 H ASP 62 19.977 3.417 8.449 387 HA ASP 62 HA ASP 62 20.854 0.758 9.272 388 HB3 ASP 62 HB3 ASP 62 20.217 3.157 11.044 389 H LEU 63 H LEU 63 19.315 -0.708 9.203 390 HA LEU 63 HA LEU 63 16.709 -0.098 10.529 391 HB3 LEU 63 HB3 LEU 63 15.683 -1.795 9.073 392 HG LEU 63 HG LEU 63 17.121 0.441 7.576 393 HD11 LEU 63 HD11 LEU 63 16.688 -1.282 5.960 394 HD12 LEU 63 HD12 LEU 63 15.539 0.027 5.721 395 HD13 LEU 63 HD13 LEU 63 15.004 -1.468 6.524 396 HD21 LEU 63 HD21 LEU 63 15.450 1.202 9.195 397 HD22 LEU 63 HD22 LEU 63 14.222 0.130 8.471 398 HD23 LEU 63 HD23 LEU 63 14.898 1.484 7.543 399 H SER 64 H SER 64 19.017 -0.714 11.955 400 HA SER 64 HA SER 64 18.868 -3.574 12.644 401 HB3 SER 64 HB3 SER 64 20.650 -1.340 13.698 402 HG SER 64 HG SER 64 21.666 -3.876 13.539 403 H HIS 65 H HIS 65 17.937 -0.360 13.989 404 HA HIS 65 HA HIS 65 16.828 -1.691 16.399 405 HB3 HIS 65 HB3 HIS 65 18.443 0.879 16.281 406 HD1 HIS 65 HD1 HIS 65 17.578 2.322 18.299 407 HD2 HIS 65 HD2 HIS 65 17.694 -1.832 19.005 408 HE1 HIS 65 HE1 HIS 65 16.904 1.994 20.726 409 H VAL 66 H VAL 66 15.131 -1.410 14.403 410 HA VAL 66 HA VAL 66 13.617 1.094 14.914 411 HB VAL 66 HB VAL 66 14.782 1.365 12.905 412 HG11 VAL 66 HG11 VAL 66 15.589 -0.760 12.345 413 HG12 VAL 66 HG12 VAL 66 13.969 -1.402 12.112 414 HG13 VAL 66 HG13 VAL 66 14.616 -0.200 10.974 415 HG21 VAL 66 HG21 VAL 66 12.348 1.977 12.836 416 HG22 VAL 66 HG22 VAL 66 13.074 1.666 11.251 417 HG23 VAL 66 HG23 VAL 66 12.059 0.423 12.010 418 H GLN 67 H GLN 67 11.851 0.659 15.933 419 HA GLN 67 HA GLN 67 10.600 -1.793 16.191 420 HB3 GLN 67 HB3 GLN 67 10.297 0.095 17.683 421 HG3 GLN 67 HG3 GLN 67 8.105 1.347 16.076 422 HE21 GLN 67 HE21 GLN 67 9.829 3.907 16.147 423 HE22 GLN 67 HE22 GLN 67 9.865 4.413 17.803 424 H ASN 68 H ASN 68 10.276 0.424 13.507 425 HA ASN 68 HA ASN 68 8.188 -1.175 12.152 426 HB3 ASN 68 HB3 ASN 68 7.970 1.739 13.023 427 HD21 ASN 68 HD21 ASN 68 5.728 2.646 12.432 428 HD22 ASN 68 HD22 ASN 68 5.212 2.382 10.770 429 H LYS 69 H LYS 69 9.306 -1.580 10.246 430 HA LYS 69 HA LYS 69 11.377 0.153 9.220 431 HB3 LYS 69 HB3 LYS 69 10.593 -1.471 7.101 432 HG3 LYS 69 HG3 LYS 69 12.843 -1.769 7.930 433 HD3 LYS 69 HD3 LYS 69 11.531 -2.556 10.530 434 HE3 LYS 69 HE3 LYS 69 14.414 -3.299 9.904 435 HZ1 LYS 69 HZ1 LYS 69 13.970 -4.824 11.822 436 HZ2 LYS 69 HZ2 LYS 69 12.529 -4.105 12.067 437 HZ3 LYS 69 HZ3 LYS 69 13.945 -3.281 12.274 438 H SER 70 H SER 70 7.796 -0.083 8.371 439 HA SER 70 HA SER 70 8.250 1.445 6.017 440 HB3 SER 70 HB3 SER 70 6.404 -0.067 6.592 441 HG SER 70 HG SER 70 5.065 2.231 7.549 442 H ALA 71 H ALA 71 7.673 2.373 9.296 443 HA ALA 71 HA ALA 71 7.119 5.138 8.940 444 HB1 ALA 71 HB1 ALA 71 8.632 5.448 11.058 445 HB2 ALA 71 HB2 ALA 71 7.110 4.545 11.173 446 HB3 ALA 71 HB3 ALA 71 8.649 3.679 11.076 447 H PHE 72 H PHE 72 10.294 3.510 8.609 448 HA PHE 72 HA PHE 72 11.702 5.909 7.969 449 HB3 PHE 72 HB3 PHE 72 12.745 3.352 6.881 450 HD1 PHE 72 HD1 PHE 72 13.824 6.164 6.489 451 HD2 PHE 72 HD2 PHE 72 14.485 3.237 9.595 452 HE1 PHE 72 HE1 PHE 72 16.085 7.113 6.949 453 HE2 PHE 72 HE2 PHE 72 16.749 4.158 9.968 454 HZ PHE 72 HZ PHE 72 17.526 6.117 8.683 455 H LEU 73 H LEU 73 9.867 3.445 5.978 456 HA LEU 73 HA LEU 73 10.987 4.234 3.477 457 HB3 LEU 73 HB3 LEU 73 8.269 2.982 4.016 458 HG LEU 73 HG LEU 73 8.325 2.008 1.988 459 HD11 LEU 73 HD11 LEU 73 8.431 4.292 1.446 460 HD12 LEU 73 HD12 LEU 73 9.135 3.266 0.187 461 HD13 LEU 73 HD13 LEU 73 10.210 4.185 1.274 462 HD21 LEU 73 HD21 LEU 73 11.343 2.095 1.780 463 HD22 LEU 73 HD22 LEU 73 10.220 1.215 0.737 464 HD23 LEU 73 HD23 LEU 73 10.434 0.710 2.435 465 H CYS 74 H CYS 74 8.026 4.994 5.303 466 HA CYS 74 HA CYS 74 6.612 6.507 3.544 467 HB3 CYS 74 HB3 CYS 74 6.889 7.010 6.545 468 HG CYS 74 HG CYS 74 4.371 7.197 4.402 469 H GLY 75 H GLY 75 9.217 7.558 5.758 470 HA2 GLY 75 HA2 GLY 75 9.227 10.337 5.242 471 HA3 GLY 75 HA3 GLY 75 10.594 9.363 5.805 472 H VAL 76 H VAL 76 11.181 7.684 3.713 473 HA VAL 76 HA VAL 76 12.551 9.428 1.912 474 HB VAL 76 HB VAL 76 11.997 6.445 1.689 475 HG11 VAL 76 HG11 VAL 76 13.912 6.339 0.199 476 HG12 VAL 76 HG12 VAL 76 12.759 7.501 -0.482 477 HG13 VAL 76 HG13 VAL 76 14.204 8.073 0.351 478 HG21 VAL 76 HG21 VAL 76 13.244 7.012 3.765 479 HG22 VAL 76 HG22 VAL 76 14.289 6.185 2.603 480 HG23 VAL 76 HG23 VAL 76 14.409 7.944 2.798 481 H MET 77 H MET 77 9.556 7.400 1.430 482 HA MET 77 HA MET 77 9.269 8.243 -1.267 483 HB3 MET 77 HB3 MET 77 8.152 6.221 -0.367 484 HG3 MET 77 HG3 MET 77 6.253 8.323 0.703 485 HE1 MET 77 HE1 MET 77 5.044 3.850 0.662 486 HE2 MET 77 HE2 MET 77 6.599 4.371 -0.008 487 HE3 MET 77 HE3 MET 77 6.295 4.498 1.749 488 H LYS 78 H LYS 78 8.606 10.144 1.587 489 HA LYS 78 HA LYS 78 7.007 12.009 -0.139 490 HB3 LYS 78 HB3 LYS 78 6.474 13.151 2.001 491 HG3 LYS 78 HG3 LYS 78 5.640 10.216 2.032 492 HD3 LYS 78 HD3 LYS 78 3.386 11.251 2.454 493 HE3 LYS 78 HE3 LYS 78 5.520 11.948 4.515 494 HZ1 LYS 78 HZ1 LYS 78 2.602 11.507 4.803 495 HZ2 LYS 78 HZ2 LYS 78 3.422 12.936 5.038 496 HZ3 LYS 78 HZ3 LYS 78 3.662 11.713 6.052 497 H THR 79 H THR 79 10.143 11.633 1.375 498 HA THR 79 HA THR 79 11.018 14.356 0.970 499 HB THR 79 HB THR 79 12.523 11.703 0.975 500 HG1 THR 79 HG1 THR 79 11.637 11.877 2.904 501 HG21 THR 79 HG21 THR 79 14.493 13.095 1.523 502 HG22 THR 79 HG22 THR 79 13.514 14.561 1.341 503 HG23 THR 79 HG23 THR 79 13.855 13.534 -0.068 504 H TYR 80 H TYR 80 11.480 11.363 -1.079 505 HA TYR 80 HA TYR 80 13.003 12.747 -2.901 506 HB3 TYR 80 HB3 TYR 80 12.577 10.190 -2.631 507 HD1 TYR 80 HD1 TYR 80 9.919 9.978 -2.335 508 HD2 TYR 80 HD2 TYR 80 11.939 10.317 -6.113 509 HE1 TYR 80 HE1 TYR 80 7.941 8.966 -3.465 510 HE2 TYR 80 HE2 TYR 80 10.018 9.405 -7.257 511 HH TYR 80 HH TYR 80 6.945 8.476 -5.528 512 H ARG 81 H ARG 81 9.499 12.448 -2.953 513 HA ARG 81 HA ARG 81 8.792 13.519 -5.412 514 HB3 ARG 81 HB3 ARG 81 6.695 14.230 -4.361 515 HG3 ARG 81 HG3 ARG 81 7.657 11.659 -3.076 516 HD3 ARG 81 HD3 ARG 81 4.863 12.566 -3.817 517 HE ARG 81 HE ARG 81 5.894 10.095 -2.641 518 HH11 ARG 81 HH11 ARG 81 3.061 12.272 -2.505 519 HH12 ARG 81 HH12 ARG 81 1.917 10.998 -2.600 520 HH21 ARG 81 HH21 ARG 81 4.255 8.393 -2.668 521 HH22 ARG 81 HH22 ARG 81 2.619 8.764 -2.304 522 H GLN 82 H GLN 82 10.422 15.254 -2.892 523 HA GLN 82 HA GLN 82 9.742 17.921 -3.410 524 HB3 GLN 82 HB3 GLN 82 11.288 17.027 -1.630 525 HG3 GLN 82 HG3 GLN 82 13.338 17.173 -3.881 526 HE21 GLN 82 HE21 GLN 82 12.794 16.102 -0.477 527 HE22 GLN 82 HE22 GLN 82 14.447 16.516 0.023 528 H ARG 83 H ARG 83 11.702 15.635 -5.342 529 HA ARG 83 HA ARG 83 12.665 17.641 -7.206 530 HB3 ARG 83 HB3 ARG 83 13.155 15.596 -8.625 531 HG3 ARG 83 HG3 ARG 83 14.668 16.682 -6.698 532 HD3 ARG 83 HD3 ARG 83 13.846 15.030 -4.908 533 HE ARG 83 HE ARG 83 14.145 13.052 -6.691 534 HH11 ARG 83 HH11 ARG 83 16.042 13.788 -3.837 535 HH12 ARG 83 HH12 ARG 83 16.883 12.286 -3.867 536 HH21 ARG 83 HH21 ARG 83 15.328 11.106 -6.685 537 HH22 ARG 83 HH22 ARG 83 16.046 10.490 -5.219 538 H GLU 84 H GLU 84 10.126 15.063 -7.563 539 HA GLU 84 HA GLU 84 9.103 15.952 -10.001 540 HB3 GLU 84 HB3 GLU 84 6.862 14.952 -8.938 541 HG3 GLU 84 HG3 GLU 84 7.674 12.630 -9.195 542 H LYS 85 H LYS 85 8.494 17.231 -6.828 543 HA LYS 85 HA LYS 85 7.524 19.071 -5.998 544 HB3 LYS 85 HB3 LYS 85 6.514 20.847 -7.335 545 HG3 LYS 85 HG3 LYS 85 8.348 21.341 -9.033 546 HD3 LYS 85 HD3 LYS 85 10.105 21.859 -7.442 547 HE3 LYS 85 HE3 LYS 85 7.455 22.440 -6.089 548 HZ1 LYS 85 HZ1 LYS 85 9.628 24.311 -6.778 549 HZ2 LYS 85 HZ2 LYS 85 9.571 23.512 -5.323 550 HZ3 LYS 85 HZ3 LYS 85 8.382 24.546 -5.761 551 H GLN 86 H GLN 86 5.854 16.674 -7.799 552 HA GLN 86 HA GLN 86 3.199 17.446 -6.648 553 HB3 GLN 86 HB3 GLN 86 2.947 15.408 -8.626 554 HG3 GLN 86 HG3 GLN 86 1.258 17.099 -8.392 555 HE21 GLN 86 HE21 GLN 86 0.694 19.201 -7.864 556 HE22 GLN 86 HE22 GLN 86 1.847 20.506 -7.772 557 H GLY 87 H GLY 87 1.876 15.836 -5.866 558 HA2 GLY 87 HA2 GLY 87 1.641 13.373 -5.408 559 HA3 GLY 87 HA3 GLY 87 3.279 13.453 -4.753 560 H THR 88 H THR 88 0.623 15.837 -4.516 561 HA THR 88 HA THR 88 -0.009 15.099 -1.768 562 HB THR 88 HB THR 88 0.789 17.843 -2.803 563 HG1 THR 88 HG1 THR 88 1.748 16.171 -0.733 564 HG21 THR 88 HG21 THR 88 -0.351 17.230 -0.025 565 HG22 THR 88 HG22 THR 88 -1.202 18.113 -1.308 566 HG23 THR 88 HG23 THR 88 0.251 18.803 -0.595 567 H LYS 89 H LYS 89 -2.286 15.222 -1.564 568 HA LYS 89 HA LYS 89 -3.922 17.002 -3.015 569 HB3 LYS 89 HB3 LYS 89 -4.932 14.492 -4.056 570 HG3 LYS 89 HG3 LYS 89 -3.697 16.953 -5.391 571 HD3 LYS 89 HD3 LYS 89 -5.045 14.478 -6.500 572 HE3 LYS 89 HE3 LYS 89 -4.418 17.092 -7.876 573 HZ1 LYS 89 HZ1 LYS 89 -3.543 15.423 -9.238 574 HZ2 LYS 89 HZ2 LYS 89 -5.036 15.728 -9.889 575 HZ3 LYS 89 HZ3 LYS 89 -4.752 14.377 -8.983 576 H VAL 90 H VAL 90 -6.355 16.191 -2.779 577 HA VAL 90 HA VAL 90 -6.629 15.229 0.018 578 HB VAL 90 HB VAL 90 -8.435 16.918 -1.716 579 HG11 VAL 90 HG11 VAL 90 -9.652 15.738 0.091 580 HG12 VAL 90 HG12 VAL 90 -8.531 16.414 1.289 581 HG13 VAL 90 HG13 VAL 90 -9.608 17.486 0.370 582 HG21 VAL 90 HG21 VAL 90 -7.737 18.827 -0.277 583 HG22 VAL 90 HG22 VAL 90 -6.526 17.789 0.502 584 HG23 VAL 90 HG23 VAL 90 -6.398 18.214 -1.226 585 H ALA 91 H ALA 91 -6.336 13.126 -0.794 586 HA ALA 91 HA ALA 91 -8.707 11.760 -1.720 587 HB1 ALA 91 HB1 ALA 91 -7.888 12.524 -3.914 588 HB2 ALA 91 HB2 ALA 91 -6.293 11.821 -3.576 589 HB3 ALA 91 HB3 ALA 91 -7.710 10.769 -3.761 590 H ASP 92 H ASP 92 -8.360 10.759 0.393 591 HA ASP 92 HA ASP 92 -6.687 8.364 0.096 592 HB3 ASP 92 HB3 ASP 92 -6.742 9.953 2.680 593 H SER 93 H SER 93 -7.652 6.600 1.279 594 HA SER 93 HA SER 93 -9.869 6.680 2.937 595 HB3 SER 93 HB3 SER 93 -10.622 5.990 0.041 596 HG SER 93 HG SER 93 -12.012 4.913 1.270 597 H SER 94 H SER 94 -10.111 4.638 3.760 598 HA SER 94 HA SER 94 -11.119 2.720 2.284 599 HB3 SER 94 HB3 SER 94 -9.273 0.809 2.815 600 HG SER 94 HG SER 94 -8.644 1.300 0.530 601 H LYS 95 H LYS 95 -12.616 2.136 3.706 602 HA LYS 95 HA LYS 95 -12.042 0.702 6.026 603 HB3 LYS 95 HB3 LYS 95 -13.591 2.993 7.064 604 HG3 LYS 95 HG3 LYS 95 -11.504 3.032 8.611 605 HD3 LYS 95 HD3 LYS 95 -13.799 1.675 8.970 606 HE3 LYS 95 HE3 LYS 95 -11.547 -0.392 9.035 607 HZ1 LYS 95 HZ1 LYS 95 -13.237 -0.446 10.872 608 HZ2 LYS 95 HZ2 LYS 95 -13.073 -1.835 10.033 609 HZ3 LYS 95 HZ3 LYS 95 -14.379 -0.851 9.806 610 H GLY 96 H GLY 96 -14.542 0.950 7.287 611 HA2 GLY 96 HA2 GLY 96 -16.714 0.227 7.161 612 HA3 GLY 96 HA3 GLY 96 -16.783 1.158 5.667 613 HA PRO 97 HA PRO 97 -15.757 -3.324 4.264 614 HB3 PRO 97 HB3 PRO 97 -14.333 -4.324 5.828 615 HG3 PRO 97 HG3 PRO 97 -14.706 -4.109 8.182 616 HD3 PRO 97 HD3 PRO 97 -14.510 -1.917 7.349 617 H ASP 98 H ASP 98 -17.172 -5.188 3.749 618 HA ASP 98 HA ASP 98 -19.324 -6.039 5.253 619 HB3 ASP 98 HB3 ASP 98 -21.021 -5.179 3.213 620 H GLU 99 H GLU 99 -19.139 -8.178 4.611 621 HA GLU 99 HA GLU 99 -18.972 -8.776 1.752 622 HB3 GLU 99 HB3 GLU 99 -16.763 -8.589 2.800 623 HG3 GLU 99 HG3 GLU 99 -17.899 -10.055 5.011 624 H ALA 100 H ALA 100 -21.295 -9.039 3.137 625 HA ALA 100 HA ALA 100 -21.706 -11.995 3.019 626 HB1 ALA 100 HB1 ALA 100 -21.976 -11.178 5.392 627 HB2 ALA 100 HB2 ALA 100 -23.381 -10.242 4.822 628 HB3 ALA 100 HB3 ALA 100 -23.389 -11.996 4.688 629 H LYS 101 H LYS 101 -22.506 -12.237 1.123 630 HA LYS 101 HA LYS 101 -24.225 -10.448 -0.340 631 HB3 LYS 101 HB3 LYS 101 -24.561 -12.350 -1.863 632 HG3 LYS 101 HG3 LYS 101 -21.654 -12.197 -0.953 633 HD3 LYS 101 HD3 LYS 101 -22.971 -12.921 -3.590 634 HE3 LYS 101 HE3 LYS 101 -20.162 -12.161 -2.821 635 HZ1 LYS 101 HZ1 LYS 101 -19.945 -14.356 -3.691 636 HZ2 LYS 101 HZ2 LYS 101 -19.411 -13.315 -4.808 637 HZ3 LYS 101 HZ3 LYS 101 -20.880 -14.017 -5.011 638 H ILE 102 H ILE 102 -25.708 -9.957 1.361 639 HA ILE 102 HA ILE 102 -28.112 -11.703 1.249 640 HB ILE 102 HB ILE 102 -26.680 -12.267 3.224 641 HG13 ILE 102 HG13 ILE 102 -29.126 -12.724 3.035 642 HG21 ILE 102 HG21 ILE 102 -27.552 -9.644 4.472 643 HG22 ILE 102 HG22 ILE 102 -26.486 -10.893 5.139 644 HG23 ILE 102 HG23 ILE 102 -25.933 -9.923 3.792 645 HD11 ILE 102 HD11 ILE 102 -29.566 -13.269 5.336 646 HD12 ILE 102 HD12 ILE 102 -27.844 -13.567 5.017 647 HD13 ILE 102 HD13 ILE 102 -28.355 -12.114 5.911 648 H LYS 103 H LYS 103 -26.683 -8.604 2.013 649 HA LYS 103 HA LYS 103 -28.839 -6.935 2.528 650 HB3 LYS 103 HB3 LYS 103 -27.601 -5.129 1.518 651 HG3 LYS 103 HG3 LYS 103 -25.717 -7.056 2.961 652 HD3 LYS 103 HD3 LYS 103 -25.932 -4.023 2.878 653 HE3 LYS 103 HE3 LYS 103 -23.462 -4.461 3.843 654 HZ1 LYS 103 HZ1 LYS 103 -25.952 -4.491 5.432 655 HZ2 LYS 103 HZ2 LYS 103 -24.829 -3.276 5.245 656 HZ3 LYS 103 HZ3 LYS 103 -24.467 -4.574 6.127 657 H ALA 104 H ALA 104 -27.739 -8.056 -0.624 658 HA ALA 104 HA ALA 104 -29.651 -6.772 -2.293 659 HB1 ALA 104 HB1 ALA 104 -27.428 -7.516 -3.027 660 HB2 ALA 104 HB2 ALA 104 -27.843 -9.197 -2.625 661 HB3 ALA 104 HB3 ALA 104 -28.675 -8.362 -3.959 662 H LEU 105 H LEU 105 -31.071 -8.136 -0.099 663 HA LEU 105 HA LEU 105 -32.964 -9.663 -1.734 664 HB3 LEU 105 HB3 LEU 105 -32.218 -10.786 0.984 665 HG LEU 105 HG LEU 105 -33.060 -12.083 -1.655 666 HD11 LEU 105 HD11 LEU 105 -31.576 -13.524 -0.315 667 HD12 LEU 105 HD12 LEU 105 -33.218 -14.176 -0.389 668 HD13 LEU 105 HD13 LEU 105 -32.660 -13.356 1.084 669 HD21 LEU 105 HD21 LEU 105 -34.677 -11.713 0.902 670 HD22 LEU 105 HD22 LEU 105 -35.173 -12.687 -0.503 671 HD23 LEU 105 HD23 LEU 105 -34.987 -10.939 -0.665 672 H LEU 106 H LEU 106 -33.661 -7.339 -1.531 673 HA LEU 106 HA LEU 106 -35.161 -6.834 0.954 674 HB3 LEU 106 HB3 LEU 106 -33.271 -5.269 0.709 675 HG LEU 106 HG LEU 106 -33.222 -3.447 -0.756 676 HD11 LEU 106 HD11 LEU 106 -31.969 -5.442 -1.541 677 HD12 LEU 106 HD12 LEU 106 -32.404 -4.298 -2.817 678 HD13 LEU 106 HD13 LEU 106 -33.315 -5.807 -2.657 679 HD21 LEU 106 HD21 LEU 106 -35.658 -3.251 -1.250 680 HD22 LEU 106 HD22 LEU 106 -35.460 -4.487 -2.511 681 HD23 LEU 106 HD23 LEU 106 -34.579 -2.964 -2.628 682 H GLU 107 H GLU 107 -37.104 -5.361 0.423 683 HA GLU 107 HA GLU 107 -38.290 -5.927 -2.163 684 HB3 GLU 107 HB3 GLU 107 -38.759 -7.872 -0.694 685 HG3 GLU 107 HG3 GLU 107 -39.078 -6.251 1.440 686 H ARG 108 H ARG 108 -40.695 -4.758 -1.816 687 HA ARG 108 HA ARG 108 -40.480 -2.291 -0.344 688 HB3 ARG 108 HB3 ARG 108 -40.404 -2.007 -3.380 689 HG3 ARG 108 HG3 ARG 108 -39.859 -0.117 -1.043 690 HD3 ARG 108 HD3 ARG 108 -39.540 0.369 -4.030 691 HE ARG 108 HE ARG 108 -39.981 2.143 -1.882 692 HH11 ARG 108 HH11 ARG 108 -37.810 1.790 -4.635 693 HH12 ARG 108 HH12 ARG 108 -37.467 3.472 -4.833 694 HH21 ARG 108 HH21 ARG 108 -39.540 4.433 -2.088 695 HH22 ARG 108 HH22 ARG 108 -38.491 5.016 -3.325 696 H THR 109 H THR 109 -42.508 -4.562 -0.777 697 HA THR 109 HA THR 109 -44.688 -3.136 -2.187 698 HB THR 109 HB THR 109 -44.961 -5.301 -3.516 699 HG1 THR 109 HG1 THR 109 -43.188 -6.353 -2.316 700 HG21 THR 109 HG21 THR 109 -43.457 -4.526 -5.313 701 HG22 THR 109 HG22 THR 109 -42.585 -3.500 -4.160 702 HG23 THR 109 HG23 THR 109 -44.283 -3.148 -4.548 703 H GLY 110 H GLY 110 -45.317 -3.009 -0.013 704 HA2 GLY 110 HA2 GLY 110 -47.075 -5.178 0.796 705 HA3 GLY 110 HA3 GLY 110 -45.751 -4.806 1.928 706 H TYR 111 H TYR 111 -46.804 -3.669 3.539 707 HA TYR 111 HA TYR 111 -48.752 -1.565 3.033 708 HB3 TYR 111 HB3 TYR 111 -47.895 -0.987 5.516 709 HD1 TYR 111 HD1 TYR 111 -50.441 -0.706 4.877 710 HD2 TYR 111 HD2 TYR 111 -48.564 -4.388 6.122 711 HE1 TYR 111 HE1 TYR 111 -52.636 -1.561 5.661 712 HE2 TYR 111 HE2 TYR 111 -50.736 -5.232 6.921 713 HH TYR 111 HH TYR 111 -52.933 -4.625 7.411 714 H THR 112 H THR 112 -48.166 0.618 4.044 715 HA THR 112 HA THR 112 -45.483 1.431 4.209 716 HB THR 112 HB THR 112 -47.094 2.819 2.019 717 HG1 THR 112 HG1 THR 112 -45.523 0.778 1.854 718 HG21 THR 112 HG21 THR 112 -44.355 3.483 3.217 719 HG22 THR 112 HG22 THR 112 -45.824 4.457 3.411 720 HG23 THR 112 HG23 THR 112 -45.091 4.277 1.806 721 H LEU 113 H LEU 113 -46.254 1.580 6.324 722 HA LEU 113 HA LEU 113 -47.091 4.166 6.985 723 HB3 LEU 113 HB3 LEU 113 -48.707 2.569 8.750 724 HG LEU 113 HG LEU 113 -49.509 4.487 6.522 725 HD11 LEU 113 HD11 LEU 113 -51.364 2.970 7.043 726 HD12 LEU 113 HD12 LEU 113 -51.704 4.598 7.651 727 HD13 LEU 113 HD13 LEU 113 -51.192 3.322 8.779 728 HD21 LEU 113 HD21 LEU 113 -49.308 4.895 9.543 729 HD22 LEU 113 HD22 LEU 113 -49.883 6.091 8.368 730 HD23 LEU 113 HD23 LEU 113 -48.199 5.570 8.342 731 H ASP 114 H ASP 114 -46.792 4.229 9.505 732 HA ASP 114 HA ASP 114 -44.598 2.470 10.347 733 HB3 ASP 114 HB3 ASP 114 -44.485 4.866 10.883 734 H VAL 115 H VAL 115 -47.857 3.372 11.519 735 HA VAL 115 HA VAL 115 -47.654 1.394 13.531 736 HB VAL 115 HB VAL 115 -48.388 3.755 13.690 737 HG11 VAL 115 HG11 VAL 115 -49.949 3.842 11.774 738 HG12 VAL 115 HG12 VAL 115 -51.087 2.805 12.674 739 HG13 VAL 115 HG13 VAL 115 -50.670 4.423 13.278 740 HG21 VAL 115 HG21 VAL 115 -48.723 2.173 15.545 741 HG22 VAL 115 HG22 VAL 115 -49.897 3.499 15.504 742 HG23 VAL 115 HG23 VAL 115 -50.379 1.876 14.974 743 H THR 116 H THR 116 -48.405 0.498 10.564 744 HA THR 116 HA THR 116 -50.425 -1.505 11.473 745 HB THR 116 HB THR 116 -51.553 -1.236 9.248 746 HG1 THR 116 HG1 THR 116 -51.112 0.498 8.036 747 HG21 THR 116 HG21 THR 116 -52.465 -0.176 11.322 748 HG22 THR 116 HG22 THR 116 -52.872 0.695 9.830 749 HG23 THR 116 HG23 THR 116 -51.598 1.312 10.905 750 H THR 117 H THR 117 -47.326 -1.420 10.585 751 HA THR 117 HA THR 117 -47.595 -3.662 8.639 752 HB THR 117 HB THR 117 -46.817 -1.536 7.642 753 HG1 THR 117 HG1 THR 117 -45.057 -3.729 7.781 754 HG21 THR 117 HG21 THR 117 -44.339 -1.917 9.390 755 HG22 THR 117 HG22 THR 117 -45.507 -0.587 9.506 756 HG23 THR 117 HG23 THR 117 -44.515 -0.775 8.049 757 H GLY 118 H GLY 118 -47.290 -3.682 11.791 758 HA2 GLY 118 HA2 GLY 118 -45.537 -5.919 11.838 759 HA3 GLY 118 HA3 GLY 118 -44.986 -4.543 12.828 Start of MODEL 13 1 H1 GLY 1 H1 GLY 1 24.018 -14.251 -6.774 2 HA2 GLY 1 HA2 GLY 1 22.353 -12.695 -6.067 3 HA3 GLY 1 HA3 GLY 1 22.119 -13.016 -7.792 4 H SER 2 H SER 2 20.004 -12.032 -6.912 5 HA SER 2 HA SER 2 18.357 -13.748 -5.231 6 HB3 SER 2 HB3 SER 2 18.911 -11.733 -4.153 7 HG SER 2 HG SER 2 19.431 -9.858 -5.226 8 H GLU 3 H GLU 3 15.986 -13.220 -5.475 9 HA GLU 3 HA GLU 3 15.295 -13.460 -8.370 10 HB3 GLU 3 HB3 GLU 3 14.745 -15.346 -6.838 11 HG3 GLU 3 HG3 GLU 3 12.183 -14.651 -5.971 12 H ASN 4 H ASN 4 15.137 -11.248 -5.844 13 HA ASN 4 HA ASN 4 12.847 -9.809 -7.086 14 HB3 ASN 4 HB3 ASN 4 13.201 -10.555 -4.441 15 HD21 ASN 4 HD21 ASN 4 15.496 -9.263 -3.828 16 HD22 ASN 4 HD22 ASN 4 15.136 -7.722 -3.138 17 H PHE 5 H PHE 5 16.175 -9.636 -7.315 18 HA PHE 5 HA PHE 5 16.497 -6.755 -7.128 19 HB3 PHE 5 HB3 PHE 5 18.052 -8.809 -8.749 20 HD1 PHE 5 HD1 PHE 5 18.658 -5.702 -6.648 21 HD2 PHE 5 HD2 PHE 5 19.652 -7.969 -10.188 22 HE1 PHE 5 HE1 PHE 5 20.332 -3.975 -7.347 23 HE2 PHE 5 HE2 PHE 5 21.378 -6.321 -10.779 24 HZ PHE 5 HZ PHE 5 21.736 -4.315 -9.341 25 H GLN 6 H GLN 6 16.131 -9.045 -9.841 26 HA GLN 6 HA GLN 6 15.832 -7.085 -11.842 27 HB3 GLN 6 HB3 GLN 6 14.625 -9.885 -11.928 28 HG3 GLN 6 HG3 GLN 6 14.334 -8.305 -13.926 29 HE21 GLN 6 HE21 GLN 6 15.365 -6.782 -15.269 30 HE22 GLN 6 HE22 GLN 6 17.123 -6.621 -15.371 31 H THR 7 H THR 7 13.361 -8.551 -9.695 32 HA THR 7 HA THR 7 11.202 -7.892 -11.433 33 HB THR 7 HB THR 7 11.317 -9.571 -9.446 34 HG1 THR 7 HG1 THR 7 8.914 -8.800 -9.079 35 HG21 THR 7 HG21 THR 7 11.753 -7.840 -7.648 36 HG22 THR 7 HG22 THR 7 10.371 -8.904 -7.340 37 HG23 THR 7 HG23 THR 7 10.120 -7.242 -7.904 38 H LEU 8 H LEU 8 13.021 -5.973 -9.174 39 HA LEU 8 HA LEU 8 11.124 -3.772 -8.933 40 HB3 LEU 8 HB3 LEU 8 13.169 -2.630 -7.932 41 HG LEU 8 HG LEU 8 12.580 -5.464 -6.939 42 HD11 LEU 8 HD11 LEU 8 14.120 -3.291 -5.521 43 HD12 LEU 8 HD12 LEU 8 14.845 -4.705 -6.334 44 HD13 LEU 8 HD13 LEU 8 13.764 -4.949 -4.947 45 HD21 LEU 8 HD21 LEU 8 10.645 -4.026 -6.733 46 HD22 LEU 8 HD22 LEU 8 11.621 -2.776 -5.915 47 HD23 LEU 8 HD23 LEU 8 11.340 -4.353 -5.148 48 H LEU 9 H LEU 9 14.269 -4.341 -10.756 49 HA LEU 9 HA LEU 9 14.248 -2.038 -12.315 50 HB3 LEU 9 HB3 LEU 9 15.257 -3.745 -14.031 51 HG LEU 9 HG LEU 9 17.317 -4.053 -13.002 52 HD11 LEU 9 HD11 LEU 9 16.753 -1.819 -14.021 53 HD12 LEU 9 HD12 LEU 9 18.028 -1.747 -12.783 54 HD13 LEU 9 HD13 LEU 9 16.372 -1.226 -12.404 55 HD21 LEU 9 HD21 LEU 9 16.177 -2.900 -10.475 56 HD22 LEU 9 HD22 LEU 9 17.898 -3.302 -10.774 57 HD23 LEU 9 HD23 LEU 9 16.679 -4.578 -10.806 58 H ASP 10 H ASP 10 12.552 -5.139 -12.867 59 HA ASP 10 HA ASP 10 11.552 -4.407 -15.429 60 HB3 ASP 10 HB3 ASP 10 10.122 -6.456 -13.729 61 H ALA 11 H ALA 11 10.242 -3.883 -12.272 62 HA ALA 11 HA ALA 11 7.565 -3.164 -13.147 63 HB1 ALA 11 HB1 ALA 11 8.037 -4.153 -10.984 64 HB2 ALA 11 HB2 ALA 11 9.146 -2.820 -10.591 65 HB3 ALA 11 HB3 ALA 11 7.394 -2.505 -10.767 66 H GLY 12 H GLY 12 10.623 -1.569 -13.435 67 HA2 GLY 12 HA2 GLY 12 10.313 0.512 -14.737 68 HA3 GLY 12 HA3 GLY 12 9.246 1.095 -13.500 69 H LEU 13 H LEU 13 11.432 -0.512 -11.673 70 HA LEU 13 HA LEU 13 11.986 2.161 -10.685 71 HB3 LEU 13 HB3 LEU 13 12.446 0.976 -8.587 72 HG LEU 13 HG LEU 13 10.182 -0.540 -9.994 73 HD11 LEU 13 HD11 LEU 13 10.605 0.048 -7.057 74 HD12 LEU 13 HD12 LEU 13 10.968 -1.494 -7.858 75 HD13 LEU 13 HD13 LEU 13 9.301 -0.909 -7.790 76 HD21 LEU 13 HD21 LEU 13 9.926 2.054 -8.442 77 HD22 LEU 13 HD22 LEU 13 8.618 1.051 -9.067 78 HD23 LEU 13 HD23 LEU 13 9.694 1.874 -10.202 79 HA PRO 14 HA PRO 14 16.126 2.426 -12.130 80 HB3 PRO 14 HB3 PRO 14 16.085 4.659 -11.468 81 HG3 PRO 14 HG3 PRO 14 14.993 5.319 -9.502 82 HD3 PRO 14 HD3 PRO 14 13.373 3.975 -10.522 83 H GLN 15 H GLN 15 18.076 1.388 -11.904 84 HA GLN 15 HA GLN 15 18.361 -0.766 -10.270 85 HB3 GLN 15 HB3 GLN 15 20.710 0.875 -11.301 86 HG3 GLN 15 HG3 GLN 15 20.497 -1.757 -10.012 87 HE21 GLN 15 HE21 GLN 15 20.345 -3.705 -11.130 88 HE22 GLN 15 HE22 GLN 15 21.013 -3.947 -12.703 89 H LYS 16 H LYS 16 19.667 2.493 -9.511 90 HA LYS 16 HA LYS 16 21.087 1.808 -7.193 91 HB3 LYS 16 HB3 LYS 16 21.379 3.998 -8.111 92 HG3 LYS 16 HG3 LYS 16 18.489 4.540 -7.399 93 HD3 LYS 16 HD3 LYS 16 20.149 6.562 -7.270 94 HE3 LYS 16 HE3 LYS 16 19.807 7.523 -9.836 95 HZ1 LYS 16 HZ1 LYS 16 22.087 7.198 -10.232 96 HZ2 LYS 16 HZ2 LYS 16 22.259 6.114 -9.019 97 HZ3 LYS 16 HZ3 LYS 16 21.886 7.714 -8.725 98 H VAL 17 H VAL 17 17.542 2.256 -7.551 99 HA VAL 17 HA VAL 17 17.097 2.169 -4.678 100 HB VAL 17 HB VAL 17 15.266 2.047 -7.100 101 HG11 VAL 17 HG11 VAL 17 14.147 0.647 -5.597 102 HG12 VAL 17 HG12 VAL 17 14.512 1.715 -4.207 103 HG13 VAL 17 HG13 VAL 17 13.399 2.239 -5.486 104 HG21 VAL 17 HG21 VAL 17 16.320 4.276 -6.558 105 HG22 VAL 17 HG22 VAL 17 14.593 4.268 -6.398 106 HG23 VAL 17 HG23 VAL 17 15.602 4.168 -4.943 107 H ALA 18 H ALA 18 16.784 -0.319 -7.371 108 HA ALA 18 HA ALA 18 16.008 -2.380 -5.681 109 HB1 ALA 18 HB1 ALA 18 17.667 -2.522 -8.243 110 HB2 ALA 18 HB2 ALA 18 16.945 -3.927 -7.438 111 HB3 ALA 18 HB3 ALA 18 15.900 -2.691 -8.097 112 H GLU 19 H GLU 19 19.269 -1.353 -6.546 113 HA GLU 19 HA GLU 19 20.857 -3.354 -5.339 114 HB3 GLU 19 HB3 GLU 19 22.424 -1.372 -4.944 115 HG3 GLU 19 HG3 GLU 19 21.455 -1.679 -7.839 116 H LYS 20 H LYS 20 19.490 -0.347 -3.943 117 HA LYS 20 HA LYS 20 20.443 -0.974 -1.263 118 HB3 LYS 20 HB3 LYS 20 19.108 1.185 -0.783 119 HG3 LYS 20 HG3 LYS 20 21.630 0.891 -1.064 120 HD3 LYS 20 HD3 LYS 20 21.222 2.473 -3.637 121 HE3 LYS 20 HE3 LYS 20 23.523 1.266 -2.132 122 HZ1 LYS 20 HZ1 LYS 20 23.822 2.441 -4.834 123 HZ2 LYS 20 HZ2 LYS 20 23.741 0.818 -4.579 124 HZ3 LYS 20 HZ3 LYS 20 24.924 1.683 -3.887 125 H LEU 21 H LEU 21 17.977 -2.325 -2.927 126 HA LEU 21 HA LEU 21 16.438 -2.803 -0.410 127 HB3 LEU 21 HB3 LEU 21 15.684 -3.422 -3.303 128 HG LEU 21 HG LEU 21 14.389 -4.928 -2.070 129 HD11 LEU 21 HD11 LEU 21 14.664 -4.432 0.241 130 HD12 LEU 21 HD12 LEU 21 12.965 -4.072 -0.032 131 HD13 LEU 21 HD13 LEU 21 14.133 -2.755 0.031 132 HD21 LEU 21 HD21 LEU 21 13.108 -3.285 -3.541 133 HD22 LEU 21 HD22 LEU 21 12.724 -2.398 -2.078 134 HD23 LEU 21 HD23 LEU 21 12.138 -4.062 -2.281 135 H ASP 22 H ASP 22 18.246 -4.373 -3.003 136 HA ASP 22 HA ASP 22 17.802 -6.968 -2.683 137 HB3 ASP 22 HB3 ASP 22 20.537 -5.646 -3.072 138 H GLU 23 H GLU 23 20.203 -5.280 -0.606 139 HA GLU 23 HA GLU 23 21.135 -7.496 0.775 140 HB3 GLU 23 HB3 GLU 23 20.894 -4.818 2.114 141 HG3 GLU 23 HG3 GLU 23 23.172 -6.715 1.514 142 H ILE 24 H ILE 24 18.086 -5.809 1.215 143 HA ILE 24 HA ILE 24 17.631 -6.611 3.979 144 HB ILE 24 HB ILE 24 15.784 -5.630 1.765 145 HG13 ILE 24 HG13 ILE 24 17.588 -4.034 2.779 146 HG21 ILE 24 HG21 ILE 24 14.047 -5.291 3.418 147 HG22 ILE 24 HG22 ILE 24 14.520 -6.975 3.417 148 HG23 ILE 24 HG23 ILE 24 15.113 -5.905 4.704 149 HD11 ILE 24 HD11 ILE 24 15.849 -2.945 1.612 150 HD12 ILE 24 HD12 ILE 24 14.650 -3.255 2.886 151 HD13 ILE 24 HD13 ILE 24 15.982 -2.129 3.159 152 H TYR 25 H TYR 25 16.934 -7.839 0.725 153 HA TYR 25 HA TYR 25 15.406 -10.162 1.633 154 HB3 TYR 25 HB3 TYR 25 15.691 -10.743 -0.867 155 HD1 TYR 25 HD1 TYR 25 15.105 -7.087 -0.629 156 HD2 TYR 25 HD2 TYR 25 13.309 -11.012 -0.652 157 HE1 TYR 25 HE1 TYR 25 12.876 -6.084 -0.953 158 HE2 TYR 25 HE2 TYR 25 11.067 -9.979 -0.941 159 HH TYR 25 HH TYR 25 10.627 -6.441 -1.218 160 H VAL 26 H VAL 26 18.722 -9.485 1.787 161 HA VAL 26 HA VAL 26 19.348 -12.396 1.428 162 HB VAL 26 HB VAL 26 21.083 -9.925 1.218 163 HG11 VAL 26 HG11 VAL 26 21.844 -12.854 0.851 164 HG12 VAL 26 HG12 VAL 26 22.898 -11.441 0.597 165 HG13 VAL 26 HG13 VAL 26 22.354 -11.844 2.209 166 HG21 VAL 26 HG21 VAL 26 19.648 -10.295 -0.775 167 HG22 VAL 26 HG22 VAL 26 21.324 -10.664 -1.163 168 HG23 VAL 26 HG23 VAL 26 20.162 -11.979 -0.857 169 H ALA 27 H ALA 27 19.668 -9.590 3.642 170 HA ALA 27 HA ALA 27 21.299 -10.915 5.551 171 HB1 ALA 27 HB1 ALA 27 20.545 -9.058 7.042 172 HB2 ALA 27 HB2 ALA 27 21.068 -8.490 5.443 173 HB3 ALA 27 HB3 ALA 27 19.334 -8.598 5.820 174 H GLY 28 H GLY 28 17.933 -11.313 4.868 175 HA2 GLY 28 HA2 GLY 28 16.521 -12.951 5.867 176 HA3 GLY 28 HA3 GLY 28 17.529 -12.950 7.318 177 H LEU 29 H LEU 29 16.833 -9.777 6.103 178 HA LEU 29 HA LEU 29 15.362 -9.091 8.505 179 HB3 LEU 29 HB3 LEU 29 15.127 -6.865 7.206 180 HG LEU 29 HG LEU 29 17.999 -7.806 7.572 181 HD11 LEU 29 HD11 LEU 29 17.775 -5.779 6.188 182 HD12 LEU 29 HD12 LEU 29 18.449 -5.387 7.771 183 HD13 LEU 29 HD13 LEU 29 16.748 -5.019 7.433 184 HD21 LEU 29 HD21 LEU 29 16.085 -6.444 9.518 185 HD22 LEU 29 HD22 LEU 29 17.836 -6.598 9.766 186 HD23 LEU 29 HD23 LEU 29 16.839 -8.048 9.701 187 H VAL 30 H VAL 30 14.454 -10.398 5.446 188 HA VAL 30 HA VAL 30 11.651 -9.935 6.241 189 HB VAL 30 HB VAL 30 11.022 -9.811 3.826 190 HG11 VAL 30 HG11 VAL 30 11.017 -7.807 5.302 191 HG12 VAL 30 HG12 VAL 30 12.699 -7.468 4.892 192 HG13 VAL 30 HG13 VAL 30 11.435 -7.353 3.646 193 HG21 VAL 30 HG21 VAL 30 12.649 -8.965 2.171 194 HG22 VAL 30 HG22 VAL 30 13.958 -9.182 3.348 195 HG23 VAL 30 HG23 VAL 30 13.055 -10.584 2.753 196 H ALA 31 H ALA 31 10.165 -11.438 5.371 197 HA ALA 31 HA ALA 31 11.241 -14.058 4.753 198 HB1 ALA 31 HB1 ALA 31 8.360 -13.182 5.252 199 HB2 ALA 31 HB2 ALA 31 8.987 -14.836 5.342 200 HB3 ALA 31 HB3 ALA 31 9.498 -13.654 6.556 201 H HIS 32 H HIS 32 11.440 -12.170 2.612 202 HA HIS 32 HA HIS 32 11.021 -11.781 0.464 203 HB3 HIS 32 HB3 HIS 32 9.775 -14.542 0.329 204 HD1 HIS 32 HD1 HIS 32 11.179 -15.452 -2.208 205 HD2 HIS 32 HD2 HIS 32 9.491 -11.621 -1.794 206 HE1 HIS 32 HE1 HIS 32 10.530 -14.674 -4.561 207 H SER 33 H SER 33 7.925 -13.595 1.085 208 HA SER 33 HA SER 33 6.495 -11.327 -0.064 209 HB3 SER 33 HB3 SER 33 5.147 -13.730 1.156 210 HG SER 33 HG SER 33 3.618 -13.181 -0.376 211 H ASP 34 H ASP 34 7.849 -10.659 2.272 212 HA ASP 34 HA ASP 34 6.016 -10.545 4.569 213 HB3 ASP 34 HB3 ASP 34 8.628 -9.097 4.574 214 H LEU 35 H LEU 35 5.283 -9.207 2.060 215 HA LEU 35 HA LEU 35 4.971 -6.424 2.901 216 HB3 LEU 35 HB3 LEU 35 5.350 -5.754 0.427 217 HG LEU 35 HG LEU 35 7.882 -6.736 1.774 218 HD11 LEU 35 HD11 LEU 35 7.316 -4.444 -0.154 219 HD12 LEU 35 HD12 LEU 35 8.035 -6.006 -0.601 220 HD13 LEU 35 HD13 LEU 35 8.907 -4.916 0.490 221 HD21 LEU 35 HD21 LEU 35 6.725 -5.336 3.398 222 HD22 LEU 35 HD22 LEU 35 6.344 -4.114 2.169 223 HD23 LEU 35 HD23 LEU 35 8.022 -4.396 2.687 224 H ASP 36 H ASP 36 3.450 -5.468 0.876 225 HA ASP 36 HA ASP 36 1.475 -7.444 0.096 226 HB3 ASP 36 HB3 ASP 36 -0.358 -5.921 0.644 227 H GLU 37 H GLU 37 0.172 -6.526 -1.710 228 HA GLU 37 HA GLU 37 1.605 -5.408 -3.828 229 HB3 GLU 37 HB3 GLU 37 -1.364 -5.388 -3.076 230 HG3 GLU 37 HG3 GLU 37 -0.084 -5.291 -5.832 231 H ARG 38 H ARG 38 -0.206 -3.989 -1.248 232 HA ARG 38 HA ARG 38 -0.453 -1.290 -2.010 233 HB3 ARG 38 HB3 ARG 38 -0.691 -0.934 0.457 234 HG3 ARG 38 HG3 ARG 38 -2.214 -3.189 -0.868 235 HD3 ARG 38 HD3 ARG 38 -2.133 -4.027 1.376 236 HE ARG 38 HE ARG 38 -1.945 -1.291 2.152 237 HH11 ARG 38 HH11 ARG 38 -3.574 -4.274 3.231 238 HH12 ARG 38 HH12 ARG 38 -3.219 -4.051 4.897 239 HH21 ARG 38 HH21 ARG 38 -1.671 -0.836 4.336 240 HH22 ARG 38 HH22 ARG 38 -2.470 -1.777 5.550 241 H ALA 39 H ALA 39 2.328 -3.030 -0.579 242 HA ALA 39 HA ALA 39 3.765 -0.542 0.041 243 HB1 ALA 39 HB1 ALA 39 5.510 -1.880 0.852 244 HB2 ALA 39 HB2 ALA 39 4.130 -2.913 1.147 245 HB3 ALA 39 HB3 ALA 39 5.142 -3.214 -0.284 246 H ILE 40 H ILE 40 3.560 -2.989 -2.552 247 HA ILE 40 HA ILE 40 5.818 -2.049 -4.020 248 HB ILE 40 HB ILE 40 3.437 -3.611 -5.085 249 HG13 ILE 40 HG13 ILE 40 4.873 -5.608 -4.697 250 HG21 ILE 40 HG21 ILE 40 6.288 -3.457 -6.134 251 HG22 ILE 40 HG22 ILE 40 5.000 -4.498 -6.763 252 HG23 ILE 40 HG23 ILE 40 4.848 -2.749 -6.899 253 HD11 ILE 40 HD11 ILE 40 6.445 -3.878 -2.744 254 HD12 ILE 40 HD12 ILE 40 6.568 -5.628 -2.967 255 HD13 ILE 40 HD13 ILE 40 7.088 -4.542 -4.266 256 H GLU 41 H GLU 41 2.301 -1.318 -4.493 257 HA GLU 41 HA GLU 41 2.534 0.392 -6.750 258 HB3 GLU 41 HB3 GLU 41 0.619 1.707 -5.360 259 HG3 GLU 41 HG3 GLU 41 -0.109 -1.098 -6.191 260 H ALA 42 H ALA 42 2.709 1.234 -3.274 261 HA ALA 42 HA ALA 42 3.072 4.034 -3.674 262 HB1 ALA 42 HB1 ALA 42 3.933 4.000 -1.350 263 HB2 ALA 42 HB2 ALA 42 2.419 3.093 -1.500 264 HB3 ALA 42 HB3 ALA 42 3.960 2.220 -1.395 265 H LEU 43 H LEU 43 5.355 1.348 -3.297 266 HA LEU 43 HA LEU 43 7.776 2.903 -3.570 267 HB3 LEU 43 HB3 LEU 43 8.772 0.547 -3.749 268 HG LEU 43 HG LEU 43 7.015 1.395 -1.466 269 HD11 LEU 43 HD11 LEU 43 7.319 -1.002 -1.309 270 HD12 LEU 43 HD12 LEU 43 8.208 -0.136 -0.058 271 HD13 LEU 43 HD13 LEU 43 9.069 -0.817 -1.464 272 HD21 LEU 43 HD21 LEU 43 9.233 1.957 -0.365 273 HD22 LEU 43 HD22 LEU 43 8.713 3.013 -1.657 274 HD23 LEU 43 HD23 LEU 43 9.954 1.808 -2.000 275 H LYS 44 H LYS 44 5.856 3.213 -5.801 276 HA LYS 44 HA LYS 44 7.844 2.707 -7.948 277 HB3 LYS 44 HB3 LYS 44 4.811 2.621 -8.243 278 HG3 LYS 44 HG3 LYS 44 7.028 2.594 -10.204 279 HD3 LYS 44 HD3 LYS 44 5.243 0.223 -9.916 280 HE3 LYS 44 HE3 LYS 44 4.184 1.454 -11.819 281 HZ1 LYS 44 HZ1 LYS 44 6.289 2.386 -12.692 282 HZ2 LYS 44 HZ2 LYS 44 5.350 1.618 -13.805 283 HZ3 LYS 44 HZ3 LYS 44 6.691 0.847 -13.210 284 H GLU 45 H GLU 45 5.537 4.984 -6.485 285 HA GLU 45 HA GLU 45 6.185 7.039 -8.479 286 HB3 GLU 45 HB3 GLU 45 3.900 6.963 -7.855 287 HG3 GLU 45 HG3 GLU 45 4.884 6.746 -5.001 288 H PHE 46 H PHE 46 8.691 6.901 -7.744 289 HA PHE 46 HA PHE 46 9.004 9.073 -5.739 290 HB3 PHE 46 HB3 PHE 46 9.451 7.111 -4.456 291 HD1 PHE 46 HD1 PHE 46 12.169 6.888 -7.064 292 HD2 PHE 46 HD2 PHE 46 9.117 4.793 -4.851 293 HE1 PHE 46 HE1 PHE 46 12.962 4.817 -7.989 294 HE2 PHE 46 HE2 PHE 46 10.064 2.648 -5.667 295 HZ PHE 46 HZ PHE 46 11.925 2.624 -7.258 296 H ASN 47 H ASN 47 11.122 10.049 -5.805 297 HA ASN 47 HA ASN 47 12.398 10.289 -8.439 298 HB3 ASN 47 HB3 ASN 47 11.925 12.316 -7.031 299 HD21 ASN 47 HD21 ASN 47 14.846 12.752 -5.657 300 HD22 ASN 47 HD22 ASN 47 14.423 12.362 -3.980 301 H GLU 48 H GLU 48 14.854 10.547 -8.117 302 HA GLU 48 HA GLU 48 16.167 8.137 -7.793 303 HB3 GLU 48 HB3 GLU 48 17.242 10.978 -7.326 304 HG3 GLU 48 HG3 GLU 48 18.748 8.754 -8.696 305 H ASP 49 H ASP 49 16.003 10.758 -5.374 306 HA ASP 49 HA ASP 49 17.695 9.121 -3.598 307 HB3 ASP 49 HB3 ASP 49 16.641 11.895 -3.296 308 H GLY 50 H GLY 50 14.451 9.270 -4.240 309 HA2 GLY 50 HA2 GLY 50 13.381 9.846 -1.674 310 HA3 GLY 50 HA3 GLY 50 12.474 9.297 -3.103 311 H ALA 51 H ALA 51 13.124 6.822 -3.648 312 HA ALA 51 HA ALA 51 12.184 5.403 -1.293 313 HB1 ALA 51 HB1 ALA 51 11.526 4.629 -3.558 314 HB2 ALA 51 HB2 ALA 51 13.218 4.364 -4.032 315 HB3 ALA 51 HB3 ALA 51 12.469 3.343 -2.788 316 H LEU 52 H LEU 52 15.343 6.278 -2.466 317 HA LEU 52 HA LEU 52 16.867 4.273 -0.987 318 HB3 LEU 52 HB3 LEU 52 18.676 6.150 -1.076 319 HG LEU 52 HG LEU 52 17.423 5.346 -3.738 320 HD11 LEU 52 HD11 LEU 52 18.940 7.255 -4.054 321 HD12 LEU 52 HD12 LEU 52 19.662 5.782 -4.706 322 HD13 LEU 52 HD13 LEU 52 20.206 6.422 -3.134 323 HD21 LEU 52 HD21 LEU 52 19.281 3.660 -3.784 324 HD22 LEU 52 HD22 LEU 52 18.156 3.382 -2.453 325 HD23 LEU 52 HD23 LEU 52 19.728 4.148 -2.138 326 H ALA 53 H ALA 53 15.241 7.278 -0.133 327 HA ALA 53 HA ALA 53 16.703 7.786 2.327 328 HB1 ALA 53 HB1 ALA 53 14.050 8.907 1.194 329 HB2 ALA 53 HB2 ALA 53 14.895 9.523 2.628 330 HB3 ALA 53 HB3 ALA 53 15.671 9.571 1.039 331 H VAL 54 H VAL 54 13.815 6.126 1.402 332 HA VAL 54 HA VAL 54 12.982 5.649 4.096 333 HB VAL 54 HB VAL 54 11.391 6.099 2.048 334 HG11 VAL 54 HG11 VAL 54 12.525 5.227 0.558 335 HG12 VAL 54 HG12 VAL 54 11.918 3.555 0.836 336 HG13 VAL 54 HG13 VAL 54 10.805 4.933 0.450 337 HG21 VAL 54 HG21 VAL 54 11.059 3.269 3.127 338 HG22 VAL 54 HG22 VAL 54 10.321 4.684 3.877 339 HG23 VAL 54 HG23 VAL 54 9.777 4.164 2.284 340 H LEU 55 H LEU 55 14.337 3.713 1.413 341 HA LEU 55 HA LEU 55 14.237 1.254 2.807 342 HB3 LEU 55 HB3 LEU 55 16.148 0.646 1.129 343 HG LEU 55 HG LEU 55 13.531 1.712 -0.069 344 HD11 LEU 55 HD11 LEU 55 14.095 0.126 -1.891 345 HD12 LEU 55 HD12 LEU 55 15.628 -0.246 -1.058 346 HD13 LEU 55 HD13 LEU 55 15.328 1.372 -1.710 347 HD21 LEU 55 HD21 LEU 55 12.927 -0.764 0.033 348 HD22 LEU 55 HD22 LEU 55 12.846 0.122 1.556 349 HD23 LEU 55 HD23 LEU 55 14.234 -0.924 1.230 350 H GLN 56 H GLN 56 16.603 3.835 2.787 351 HA GLN 56 HA GLN 56 18.702 2.420 4.012 352 HB3 GLN 56 HB3 GLN 56 17.890 5.334 4.382 353 HG3 GLN 56 HG3 GLN 56 19.472 4.870 6.105 354 HE21 GLN 56 HE21 GLN 56 19.950 2.662 6.597 355 HE22 GLN 56 HE22 GLN 56 21.253 1.810 5.860 356 H GLN 57 H GLN 57 16.317 4.423 5.662 357 HA GLN 57 HA GLN 57 16.624 3.630 8.307 358 HB3 GLN 57 HB3 GLN 57 14.022 3.830 8.406 359 HG3 GLN 57 HG3 GLN 57 15.380 6.333 7.325 360 HE21 GLN 57 HE21 GLN 57 13.468 4.944 10.146 361 HE22 GLN 57 HE22 GLN 57 12.293 6.241 10.149 362 H PHE 58 H PHE 58 14.590 1.912 5.862 363 HA PHE 58 HA PHE 58 13.568 -0.009 7.657 364 HB3 PHE 58 HB3 PHE 58 14.227 -0.518 4.728 365 HD1 PHE 58 HD1 PHE 58 14.455 -3.019 5.456 366 HD2 PHE 58 HD2 PHE 58 10.837 -0.732 6.033 367 HE1 PHE 58 HE1 PHE 58 13.151 -5.114 5.735 368 HE2 PHE 58 HE2 PHE 58 9.553 -2.863 6.236 369 HZ PHE 58 HZ PHE 58 10.711 -5.035 6.065 370 H LYS 59 H LYS 59 16.684 -0.128 5.835 371 HA LYS 59 HA LYS 59 17.490 -2.747 6.772 372 HB3 LYS 59 HB3 LYS 59 19.805 -1.936 6.272 373 HG3 LYS 59 HG3 LYS 59 17.651 -1.261 4.231 374 HD3 LYS 59 HD3 LYS 59 19.876 0.002 3.887 375 HE3 LYS 59 HE3 LYS 59 20.630 -2.927 3.501 376 HZ1 LYS 59 HZ1 LYS 59 21.323 -1.910 1.465 377 HZ2 LYS 59 HZ2 LYS 59 22.611 -2.176 2.399 378 HZ3 LYS 59 HZ3 LYS 59 22.033 -0.636 2.251 379 H ASP 60 H ASP 60 17.713 0.532 8.074 380 HA ASP 60 HA ASP 60 19.380 -0.284 10.345 381 HB3 ASP 60 HB3 ASP 60 18.735 2.545 9.502 382 H SER 61 H SER 61 16.773 -1.128 10.527 383 HA SER 61 HA SER 61 15.508 0.588 12.618 384 HB3 SER 61 HB3 SER 61 13.323 -0.520 11.852 385 HG SER 61 HG SER 61 14.650 1.188 10.022 386 H ASP 62 H ASP 62 13.914 -0.883 13.905 387 HA ASP 62 HA ASP 62 15.461 -3.162 15.004 388 HB3 ASP 62 HB3 ASP 62 13.190 -1.443 16.067 389 H LEU 63 H LEU 63 14.969 -4.790 13.462 390 HA LEU 63 HA LEU 63 12.085 -5.275 12.951 391 HB3 LEU 63 HB3 LEU 63 12.648 -6.323 10.874 392 HG LEU 63 HG LEU 63 14.058 -3.667 11.031 393 HD11 LEU 63 HD11 LEU 63 13.420 -3.571 8.580 394 HD12 LEU 63 HD12 LEU 63 12.988 -5.291 8.694 395 HD13 LEU 63 HD13 LEU 63 14.659 -4.748 8.997 396 HD21 LEU 63 HD21 LEU 63 11.145 -4.246 10.334 397 HD22 LEU 63 HD22 LEU 63 11.956 -2.674 10.194 398 HD23 LEU 63 HD23 LEU 63 11.730 -3.386 11.784 399 H SER 64 H SER 64 13.862 -6.583 15.207 400 HA SER 64 HA SER 64 13.924 -9.357 14.243 401 HB3 SER 64 HB3 SER 64 14.612 -8.296 16.998 402 HG SER 64 HG SER 64 14.272 -10.679 16.164 403 H HIS 65 H HIS 65 11.681 -7.453 16.211 404 HA HIS 65 HA HIS 65 10.170 -9.948 16.858 405 HB3 HIS 65 HB3 HIS 65 9.293 -8.517 18.795 406 HD1 HIS 65 HD1 HIS 65 10.022 -10.521 20.318 407 HD2 HIS 65 HD2 HIS 65 13.177 -8.352 18.559 408 HE1 HIS 65 HE1 HIS 65 12.187 -11.491 21.253 409 H VAL 66 H VAL 66 9.965 -7.747 14.606 410 HA VAL 66 HA VAL 66 7.208 -6.890 14.884 411 HB VAL 66 HB VAL 66 8.765 -5.385 13.969 412 HG11 VAL 66 HG11 VAL 66 9.687 -7.504 12.066 413 HG12 VAL 66 HG12 VAL 66 10.036 -5.760 11.874 414 HG13 VAL 66 HG13 VAL 66 10.549 -6.633 13.315 415 HG21 VAL 66 HG21 VAL 66 7.801 -4.872 11.755 416 HG22 VAL 66 HG22 VAL 66 7.170 -6.505 11.640 417 HG23 VAL 66 HG23 VAL 66 6.527 -5.389 12.875 418 H GLN 67 H GLN 67 5.752 -8.451 14.787 419 HA GLN 67 HA GLN 67 5.806 -10.722 13.079 420 HB3 GLN 67 HB3 GLN 67 4.419 -10.525 15.092 421 HG3 GLN 67 HG3 GLN 67 2.601 -8.682 13.490 422 HE21 GLN 67 HE21 GLN 67 3.297 -8.878 17.011 423 HE22 GLN 67 HE22 GLN 67 1.781 -9.672 17.404 424 H ASN 68 H ASN 68 5.147 -7.441 12.276 425 HA ASN 68 HA ASN 68 3.976 -8.207 9.634 426 HB3 ASN 68 HB3 ASN 68 3.128 -5.850 11.358 427 HD21 ASN 68 HD21 ASN 68 0.526 -5.926 10.435 428 HD22 ASN 68 HD22 ASN 68 0.465 -5.399 8.769 429 H LYS 69 H LYS 69 5.907 -8.032 8.631 430 HA LYS 69 HA LYS 69 7.796 -5.840 8.995 431 HB3 LYS 69 HB3 LYS 69 8.035 -7.354 6.504 432 HG3 LYS 69 HG3 LYS 69 10.011 -6.457 7.781 433 HD3 LYS 69 HD3 LYS 69 8.893 -7.900 9.965 434 HE3 LYS 69 HE3 LYS 69 10.917 -9.135 10.746 435 HZ1 LYS 69 HZ1 LYS 69 9.718 -10.343 8.306 436 HZ2 LYS 69 HZ2 LYS 69 9.034 -10.419 9.772 437 HZ3 LYS 69 HZ3 LYS 69 10.460 -11.169 9.501 438 H SER 70 H SER 70 4.964 -6.464 6.862 439 HA SER 70 HA SER 70 5.692 -4.459 4.984 440 HB3 SER 70 HB3 SER 70 3.862 -6.394 4.866 441 HG SER 70 HG SER 70 1.808 -5.414 4.878 442 H ALA 71 H ALA 71 3.819 -4.326 8.037 443 HA ALA 71 HA ALA 71 2.932 -1.663 7.832 444 HB1 ALA 71 HB1 ALA 71 2.931 -1.651 10.298 445 HB2 ALA 71 HB2 ALA 71 2.299 -3.201 9.692 446 HB3 ALA 71 HB3 ALA 71 3.954 -3.094 10.330 447 H PHE 72 H PHE 72 6.201 -2.846 8.482 448 HA PHE 72 HA PHE 72 7.140 -0.311 9.466 449 HB3 PHE 72 HB3 PHE 72 9.248 -1.949 8.305 450 HD1 PHE 72 HD1 PHE 72 10.237 0.250 9.313 451 HD2 PHE 72 HD2 PHE 72 8.363 -2.814 11.704 452 HE1 PHE 72 HE1 PHE 72 11.319 1.155 11.348 453 HE2 PHE 72 HE2 PHE 72 9.510 -1.934 13.722 454 HZ PHE 72 HZ PHE 72 10.962 0.063 13.552 455 H LEU 73 H LEU 73 6.963 -1.779 6.093 456 HA LEU 73 HA LEU 73 8.716 0.315 5.169 457 HB3 LEU 73 HB3 LEU 73 6.944 -1.628 3.632 458 HG LEU 73 HG LEU 73 7.979 -0.040 2.110 459 HD11 LEU 73 HD11 LEU 73 10.445 0.225 1.929 460 HD12 LEU 73 HD12 LEU 73 10.654 -0.705 3.423 461 HD13 LEU 73 HD13 LEU 73 9.846 0.882 3.452 462 HD21 LEU 73 HD21 LEU 73 9.500 -2.691 2.309 463 HD22 LEU 73 HD22 LEU 73 9.544 -1.671 0.881 464 HD23 LEU 73 HD23 LEU 73 8.000 -2.381 1.390 465 H CYS 74 H CYS 74 5.248 -0.356 5.285 466 HA CYS 74 HA CYS 74 4.347 1.948 3.896 467 HB3 CYS 74 HB3 CYS 74 3.063 0.532 6.277 468 HG CYS 74 HG CYS 74 1.781 2.157 3.661 469 H GLY 75 H GLY 75 5.311 1.431 7.297 470 HA2 GLY 75 HA2 GLY 75 4.622 3.911 8.445 471 HA3 GLY 75 HA3 GLY 75 5.954 2.847 8.967 472 H VAL 76 H VAL 76 7.906 2.871 7.250 473 HA VAL 76 HA VAL 76 8.654 5.634 7.423 474 HB VAL 76 HB VAL 76 10.306 4.100 7.958 475 HG11 VAL 76 HG11 VAL 76 11.497 2.805 6.049 476 HG12 VAL 76 HG12 VAL 76 10.066 2.120 6.802 477 HG13 VAL 76 HG13 VAL 76 9.914 2.905 5.227 478 HG21 VAL 76 HG21 VAL 76 11.053 6.248 7.081 479 HG22 VAL 76 HG22 VAL 76 12.175 4.975 6.687 480 HG23 VAL 76 HG23 VAL 76 11.163 5.619 5.425 481 H MET 77 H MET 77 7.314 3.831 4.541 482 HA MET 77 HA MET 77 8.350 5.717 2.700 483 HB3 MET 77 HB3 MET 77 7.439 3.500 2.128 484 HG3 MET 77 HG3 MET 77 4.833 5.054 2.189 485 HE1 MET 77 HE1 MET 77 6.518 1.539 1.606 486 HE2 MET 77 HE2 MET 77 5.548 1.071 0.189 487 HE3 MET 77 HE3 MET 77 6.536 2.554 0.134 488 H LYS 78 H LYS 78 5.599 5.842 4.920 489 HA LYS 78 HA LYS 78 4.518 8.250 3.709 490 HB3 LYS 78 HB3 LYS 78 3.464 6.315 5.198 491 HG3 LYS 78 HG3 LYS 78 4.723 7.691 7.309 492 HD3 LYS 78 HD3 LYS 78 2.802 9.395 7.118 493 HE3 LYS 78 HE3 LYS 78 0.783 8.321 8.519 494 HZ1 LYS 78 HZ1 LYS 78 -0.398 7.807 6.496 495 HZ2 LYS 78 HZ2 LYS 78 0.956 7.871 5.618 496 HZ3 LYS 78 HZ3 LYS 78 0.392 9.249 6.396 497 H THR 79 H THR 79 7.269 7.650 5.653 498 HA THR 79 HA THR 79 7.169 10.325 6.882 499 HB THR 79 HB THR 79 8.527 7.763 7.713 500 HG1 THR 79 HG1 THR 79 6.939 7.638 9.197 501 HG21 THR 79 HG21 THR 79 9.865 9.594 8.572 502 HG22 THR 79 HG22 THR 79 8.891 8.971 9.884 503 HG23 THR 79 HG23 THR 79 8.436 10.500 9.097 504 H TYR 80 H TYR 80 9.539 8.247 4.582 505 HA TYR 80 HA TYR 80 11.585 10.002 5.277 506 HB3 TYR 80 HB3 TYR 80 11.522 7.821 4.018 507 HD1 TYR 80 HD1 TYR 80 9.372 7.461 2.763 508 HD2 TYR 80 HD2 TYR 80 12.379 10.162 1.365 509 HE1 TYR 80 HE1 TYR 80 8.349 7.372 0.517 510 HE2 TYR 80 HE2 TYR 80 11.535 10.065 -0.811 511 HH TYR 80 HH TYR 80 9.459 9.499 -2.106 512 H ARG 81 H ARG 81 8.796 10.388 3.239 513 HA ARG 81 HA ARG 81 9.270 12.659 1.657 514 HB3 ARG 81 HB3 ARG 81 6.788 12.783 1.571 515 HG3 ARG 81 HG3 ARG 81 7.789 9.926 1.492 516 HD3 ARG 81 HD3 ARG 81 5.329 11.210 0.241 517 HE ARG 81 HE ARG 81 6.153 8.326 0.176 518 HH11 ARG 81 HH11 ARG 81 4.287 10.984 -1.452 519 HH12 ARG 81 HH12 ARG 81 4.095 10.015 -2.872 520 HH21 ARG 81 HH21 ARG 81 5.784 7.202 -1.900 521 HH22 ARG 81 HH22 ARG 81 4.748 8.005 -3.044 522 H GLN 82 H GLN 82 9.934 12.966 4.823 523 HA GLN 82 HA GLN 82 8.936 15.722 4.973 524 HB3 GLN 82 HB3 GLN 82 9.223 13.350 6.832 525 HG3 GLN 82 HG3 GLN 82 10.453 15.267 7.928 526 HE21 GLN 82 HE21 GLN 82 6.831 15.460 8.211 527 HE22 GLN 82 HE22 GLN 82 6.844 17.133 8.708 528 H ARG 83 H ARG 83 11.516 13.375 5.884 529 HA ARG 83 HA ARG 83 13.423 15.493 6.401 530 HB3 ARG 83 HB3 ARG 83 13.339 13.255 7.561 531 HG3 ARG 83 HG3 ARG 83 15.082 12.310 5.241 532 HD3 ARG 83 HD3 ARG 83 13.799 10.692 7.454 533 HE ARG 83 HE ARG 83 14.691 9.279 5.833 534 HH11 ARG 83 HH11 ARG 83 17.224 11.150 7.492 535 HH12 ARG 83 HH12 ARG 83 18.509 10.141 6.923 536 HH21 ARG 83 HH21 ARG 83 16.423 7.843 5.212 537 HH22 ARG 83 HH22 ARG 83 17.987 8.156 5.938 538 H GLU 84 H GLU 84 12.334 14.299 3.425 539 HA GLU 84 HA GLU 84 14.788 15.012 2.021 540 HB3 GLU 84 HB3 GLU 84 13.270 13.413 1.031 541 HG3 GLU 84 HG3 GLU 84 11.044 15.016 1.531 542 H LYS 85 H LYS 85 11.582 16.684 1.566 543 HA LYS 85 HA LYS 85 12.694 19.006 2.979 544 HB3 LYS 85 HB3 LYS 85 11.077 20.231 1.175 545 HG3 LYS 85 HG3 LYS 85 13.977 19.506 0.586 546 HD3 LYS 85 HD3 LYS 85 12.151 21.818 -0.172 547 HE3 LYS 85 HE3 LYS 85 15.139 21.608 -0.724 548 HZ1 LYS 85 HZ1 LYS 85 13.209 23.844 -0.861 549 HZ2 LYS 85 HZ2 LYS 85 13.930 23.090 -2.170 550 HZ3 LYS 85 HZ3 LYS 85 14.808 23.998 -1.123 551 H GLN 86 H GLN 86 11.125 20.348 3.838 552 HA GLN 86 HA GLN 86 8.579 19.125 4.646 553 HB3 GLN 86 HB3 GLN 86 8.284 21.204 5.885 554 HG3 GLN 86 HG3 GLN 86 11.143 20.325 6.406 555 HE21 GLN 86 HE21 GLN 86 9.148 19.117 8.706 556 HE22 GLN 86 HE22 GLN 86 8.703 20.445 9.710 557 H GLY 87 H GLY 87 8.214 18.897 2.175 558 HA2 GLY 87 HA2 GLY 87 6.549 21.195 1.244 559 HA3 GLY 87 HA3 GLY 87 7.766 20.474 0.189 560 H THR 88 H THR 88 6.367 18.088 2.246 561 HA THR 88 HA THR 88 4.590 17.124 0.060 562 HB THR 88 HB THR 88 6.770 15.532 1.395 563 HG1 THR 88 HG1 THR 88 6.984 16.729 -1.140 564 HG21 THR 88 HG21 THR 88 5.016 14.214 0.292 565 HG22 THR 88 HG22 THR 88 6.555 14.076 -0.588 566 HG23 THR 88 HG23 THR 88 5.275 15.141 -1.202 567 H LYS 89 H LYS 89 2.686 16.816 1.078 568 HA LYS 89 HA LYS 89 2.631 15.458 3.742 569 HB3 LYS 89 HB3 LYS 89 0.143 15.795 3.581 570 HG3 LYS 89 HG3 LYS 89 1.501 18.485 3.296 571 HD3 LYS 89 HD3 LYS 89 0.328 18.849 5.499 572 HE3 LYS 89 HE3 LYS 89 -1.647 18.084 3.293 573 HZ1 LYS 89 HZ1 LYS 89 -2.531 20.255 4.098 574 HZ2 LYS 89 HZ2 LYS 89 -1.592 20.154 5.412 575 HZ3 LYS 89 HZ3 LYS 89 -2.812 19.022 5.140 576 H VAL 90 H VAL 90 0.859 13.700 3.853 577 HA VAL 90 HA VAL 90 0.729 11.945 1.516 578 HB VAL 90 HB VAL 90 1.238 10.055 3.104 579 HG11 VAL 90 HG11 VAL 90 3.588 11.972 2.726 580 HG12 VAL 90 HG12 VAL 90 3.659 10.214 2.919 581 HG13 VAL 90 HG13 VAL 90 2.927 10.913 1.472 582 HG21 VAL 90 HG21 VAL 90 2.385 12.207 4.946 583 HG22 VAL 90 HG22 VAL 90 1.077 11.072 5.326 584 HG23 VAL 90 HG23 VAL 90 2.706 10.474 5.069 585 H ALA 91 H ALA 91 -1.398 12.434 1.227 586 HA ALA 91 HA ALA 91 -3.308 11.951 3.398 587 HB1 ALA 91 HB1 ALA 91 -2.499 14.200 3.941 588 HB2 ALA 91 HB2 ALA 91 -2.830 14.766 2.295 589 HB3 ALA 91 HB3 ALA 91 -4.173 14.303 3.357 590 H ASP 92 H ASP 92 -3.442 10.408 1.452 591 HA ASP 92 HA ASP 92 -5.032 11.587 -0.807 592 HB3 ASP 92 HB3 ASP 92 -3.533 10.378 -2.300 593 H SER 93 H SER 93 -7.019 10.539 -0.545 594 HA SER 93 HA SER 93 -7.078 7.602 -0.839 595 HB3 SER 93 HB3 SER 93 -8.632 7.707 1.277 596 HG SER 93 HG SER 93 -5.811 7.953 1.383 597 H SER 94 H SER 94 -8.978 6.844 -1.740 598 HA SER 94 HA SER 94 -11.461 8.203 -1.522 599 HB3 SER 94 HB3 SER 94 -10.484 7.958 -4.381 600 HG SER 94 HG SER 94 -12.072 9.462 -4.703 601 H LYS 95 H LYS 95 -12.646 6.344 -1.086 602 HA LYS 95 HA LYS 95 -12.702 4.284 -3.128 603 HB3 LYS 95 HB3 LYS 95 -12.136 3.596 -0.202 604 HG3 LYS 95 HG3 LYS 95 -12.445 1.792 -2.640 605 HD3 LYS 95 HD3 LYS 95 -10.986 1.047 -0.603 606 HE3 LYS 95 HE3 LYS 95 -13.836 0.750 0.464 607 HZ1 LYS 95 HZ1 LYS 95 -12.022 -1.069 0.859 608 HZ2 LYS 95 HZ2 LYS 95 -13.064 -0.640 2.055 609 HZ3 LYS 95 HZ3 LYS 95 -11.556 -0.020 2.069 610 H GLY 96 H GLY 96 -14.760 3.745 -3.512 611 HA2 GLY 96 HA2 GLY 96 -16.496 2.823 -1.534 612 HA3 GLY 96 HA3 GLY 96 -16.945 4.495 -1.833 613 HA PRO 97 HA PRO 97 -17.748 2.117 -5.950 614 HB3 PRO 97 HB3 PRO 97 -16.400 0.238 -6.188 615 HG3 PRO 97 HG3 PRO 97 -15.697 -1.000 -4.282 616 HD3 PRO 97 HD3 PRO 97 -15.210 1.164 -3.531 617 H ASP 98 H ASP 98 -19.850 1.319 -6.769 618 HA ASP 98 HA ASP 98 -21.936 0.902 -4.685 619 HB3 ASP 98 HB3 ASP 98 -23.241 2.658 -6.112 620 H GLU 99 H GLU 99 -22.483 -1.128 -5.319 621 HA GLU 99 HA GLU 99 -23.640 -1.397 -8.022 622 HB3 GLU 99 HB3 GLU 99 -22.058 -3.624 -6.712 623 HG3 GLU 99 HG3 GLU 99 -21.851 -4.372 -9.105 624 H ALA 100 H ALA 100 -25.718 -1.701 -7.711 625 HA ALA 100 HA ALA 100 -26.769 -3.881 -6.290 626 HB1 ALA 100 HB1 ALA 100 -26.829 -2.427 -4.321 627 HB2 ALA 100 HB2 ALA 100 -27.529 -1.091 -5.252 628 HB3 ALA 100 HB3 ALA 100 -28.465 -2.574 -4.950 629 H LYS 101 H LYS 101 -28.513 -4.497 -7.630 630 HA LYS 101 HA LYS 101 -29.743 -2.438 -9.420 631 HB3 LYS 101 HB3 LYS 101 -30.363 -4.343 -10.851 632 HG3 LYS 101 HG3 LYS 101 -27.394 -4.360 -10.149 633 HD3 LYS 101 HD3 LYS 101 -28.706 -4.850 -12.840 634 HE3 LYS 101 HE3 LYS 101 -25.942 -5.528 -11.751 635 HZ1 LYS 101 HZ1 LYS 101 -25.298 -5.651 -13.923 636 HZ2 LYS 101 HZ2 LYS 101 -26.653 -4.963 -14.545 637 HZ3 LYS 101 HZ3 LYS 101 -26.722 -6.495 -13.944 638 H ILE 102 H ILE 102 -31.837 -1.963 -9.063 639 HA ILE 102 HA ILE 102 -33.519 -3.795 -7.402 640 HB ILE 102 HB ILE 102 -33.373 -0.761 -7.146 641 HG13 ILE 102 HG13 ILE 102 -32.256 -3.026 -5.463 642 HG21 ILE 102 HG21 ILE 102 -35.681 -1.616 -6.844 643 HG22 ILE 102 HG22 ILE 102 -35.076 -2.820 -5.684 644 HG23 ILE 102 HG23 ILE 102 -35.003 -1.086 -5.312 645 HD11 ILE 102 HD11 ILE 102 -30.565 -1.267 -4.884 646 HD12 ILE 102 HD12 ILE 102 -30.611 -1.557 -6.627 647 HD13 ILE 102 HD13 ILE 102 -31.411 -0.126 -5.943 648 H LYS 103 H LYS 103 -34.061 -0.712 -9.164 649 HA LYS 103 HA LYS 103 -35.550 0.023 -10.579 650 HB3 LYS 103 HB3 LYS 103 -36.758 -2.004 -12.029 651 HG3 LYS 103 HG3 LYS 103 -34.737 -1.681 -13.633 652 HD3 LYS 103 HD3 LYS 103 -36.354 0.741 -12.711 653 HE3 LYS 103 HE3 LYS 103 -35.173 -0.005 -15.426 654 HZ1 LYS 103 HZ1 LYS 103 -37.313 1.108 -15.605 655 HZ2 LYS 103 HZ2 LYS 103 -36.111 2.105 -16.114 656 HZ3 LYS 103 HZ3 LYS 103 -36.803 2.334 -14.638 657 H ALA 104 H ALA 104 -36.761 -2.936 -8.930 658 HA ALA 104 HA ALA 104 -39.360 -1.560 -8.688 659 HB1 ALA 104 HB1 ALA 104 -39.515 -2.934 -10.698 660 HB2 ALA 104 HB2 ALA 104 -38.912 -4.353 -9.811 661 HB3 ALA 104 HB3 ALA 104 -40.490 -3.655 -9.399 662 H LEU 105 H LEU 105 -39.373 -1.330 -6.434 663 HA LEU 105 HA LEU 105 -39.704 -3.670 -4.780 664 HB3 LEU 105 HB3 LEU 105 -37.318 -1.804 -4.400 665 HG LEU 105 HG LEU 105 -38.274 -2.638 -2.220 666 HD11 LEU 105 HD11 LEU 105 -39.111 -4.865 -2.973 667 HD12 LEU 105 HD12 LEU 105 -37.981 -5.021 -1.648 668 HD13 LEU 105 HD13 LEU 105 -37.451 -5.392 -3.312 669 HD21 LEU 105 HD21 LEU 105 -35.877 -2.089 -2.495 670 HD22 LEU 105 HD22 LEU 105 -35.547 -3.750 -3.045 671 HD23 LEU 105 HD23 LEU 105 -36.098 -3.445 -1.380 672 H LEU 106 H LEU 106 -41.602 -2.839 -3.830 673 HA LEU 106 HA LEU 106 -41.591 -0.464 -2.326 674 HB3 LEU 106 HB3 LEU 106 -43.510 -0.249 -4.683 675 HG LEU 106 HG LEU 106 -42.218 1.808 -2.808 676 HD11 LEU 106 HD11 LEU 106 -42.504 2.652 -5.090 677 HD12 LEU 106 HD12 LEU 106 -43.628 3.458 -3.990 678 HD13 LEU 106 HD13 LEU 106 -44.217 2.176 -5.078 679 HD21 LEU 106 HD21 LEU 106 -45.126 0.906 -2.978 680 HD22 LEU 106 HD22 LEU 106 -44.561 2.346 -2.087 681 HD23 LEU 106 HD23 LEU 106 -44.038 0.744 -1.583 682 H GLU 107 H GLU 107 -42.062 -2.442 -1.119 683 HA GLU 107 HA GLU 107 -44.723 -3.524 -1.041 684 HB3 GLU 107 HB3 GLU 107 -44.094 -4.353 1.170 685 HG3 GLU 107 HG3 GLU 107 -43.056 -5.319 -1.052 686 H ARG 108 H ARG 108 -46.550 -2.932 0.226 687 HA ARG 108 HA ARG 108 -46.365 -1.304 2.420 688 HB3 ARG 108 HB3 ARG 108 -46.198 0.558 0.599 689 HG3 ARG 108 HG3 ARG 108 -49.188 0.465 0.636 690 HD3 ARG 108 HD3 ARG 108 -47.036 1.686 -1.110 691 HE ARG 108 HE ARG 108 -48.134 1.056 -2.919 692 HH11 ARG 108 HH11 ARG 108 -50.604 1.919 -0.536 693 HH12 ARG 108 HH12 ARG 108 -51.954 1.683 -1.588 694 HH21 ARG 108 HH21 ARG 108 -49.910 0.697 -4.344 695 HH22 ARG 108 HH22 ARG 108 -51.535 0.957 -3.837 696 H THR 109 H THR 109 -49.051 -0.385 2.575 697 HA THR 109 HA THR 109 -50.920 -2.432 2.037 698 HB THR 109 HB THR 109 -49.792 -3.362 3.976 699 HG1 THR 109 HG1 THR 109 -51.531 -3.305 5.395 700 HG21 THR 109 HG21 THR 109 -49.529 -2.055 6.087 701 HG22 THR 109 HG22 THR 109 -50.129 -0.601 5.237 702 HG23 THR 109 HG23 THR 109 -48.607 -1.332 4.744 703 H GLY 110 H GLY 110 -52.945 -1.406 2.503 704 HA2 GLY 110 HA2 GLY 110 -52.991 1.453 3.235 705 HA3 GLY 110 HA3 GLY 110 -53.689 1.077 1.649 706 H TYR 111 H TYR 111 -55.466 -0.602 1.598 707 HA TYR 111 HA TYR 111 -56.796 -1.201 4.110 708 HB3 TYR 111 HB3 TYR 111 -57.860 0.900 3.483 709 HD1 TYR 111 HD1 TYR 111 -59.587 -1.118 0.884 710 HD2 TYR 111 HD2 TYR 111 -56.963 2.227 1.629 711 HE1 TYR 111 HE1 TYR 111 -59.893 -0.391 -1.430 712 HE2 TYR 111 HE2 TYR 111 -57.273 2.977 -0.729 713 HH TYR 111 HH TYR 111 -59.473 1.267 -2.960 714 H THR 112 H THR 112 -58.329 -2.971 3.716 715 HA THR 112 HA THR 112 -59.018 -4.135 1.344 716 HB THR 112 HB THR 112 -56.566 -4.813 1.196 717 HG1 THR 112 HG1 THR 112 -58.008 -6.125 0.216 718 HG21 THR 112 HG21 THR 112 -56.078 -5.058 3.630 719 HG22 THR 112 HG22 THR 112 -55.626 -6.476 2.669 720 HG23 THR 112 HG23 THR 112 -57.094 -6.516 3.659 721 H LEU 113 H LEU 113 -60.514 -5.882 1.909 722 HA LEU 113 HA LEU 113 -60.449 -7.482 4.064 723 HB3 LEU 113 HB3 LEU 113 -62.904 -6.335 4.886 724 HG LEU 113 HG LEU 113 -60.129 -6.553 6.066 725 HD11 LEU 113 HD11 LEU 113 -60.806 -5.543 8.168 726 HD12 LEU 113 HD12 LEU 113 -62.389 -5.112 7.496 727 HD13 LEU 113 HD13 LEU 113 -60.908 -4.353 6.864 728 HD21 LEU 113 HD21 LEU 113 -61.283 -7.959 7.717 729 HD22 LEU 113 HD22 LEU 113 -61.652 -8.511 6.079 730 HD23 LEU 113 HD23 LEU 113 -62.852 -7.577 6.978 731 H ASP 114 H ASP 114 -62.573 -8.816 4.070 732 HA ASP 114 HA ASP 114 -63.414 -9.248 1.316 733 HB3 ASP 114 HB3 ASP 114 -62.895 -11.126 2.882 734 H VAL 115 H VAL 115 -64.672 -7.912 4.335 735 HA VAL 115 HA VAL 115 -67.305 -7.472 3.085 736 HB VAL 115 HB VAL 115 -66.974 -9.055 4.949 737 HG11 VAL 115 HG11 VAL 115 -66.503 -6.642 6.735 738 HG12 VAL 115 HG12 VAL 115 -66.598 -8.350 7.224 739 HG13 VAL 115 HG13 VAL 115 -65.247 -7.799 6.240 740 HG21 VAL 115 HG21 VAL 115 -68.915 -8.516 6.230 741 HG22 VAL 115 HG22 VAL 115 -68.829 -6.806 5.763 742 HG23 VAL 115 HG23 VAL 115 -69.189 -8.047 4.542 743 H THR 116 H THR 116 -64.667 -5.564 3.521 744 HA THR 116 HA THR 116 -66.282 -3.167 4.233 745 HB THR 116 HB THR 116 -63.561 -3.281 5.402 746 HG1 THR 116 HG1 THR 116 -64.221 -4.639 7.087 747 HG21 THR 116 HG21 THR 116 -66.332 -2.742 6.584 748 HG22 THR 116 HG22 THR 116 -65.252 -1.503 5.911 749 HG23 THR 116 HG23 THR 116 -64.775 -2.389 7.369 750 H THR 117 H THR 117 -65.014 -4.032 1.532 751 HA THR 117 HA THR 117 -64.145 -1.298 1.053 752 HB THR 117 HB THR 117 -62.082 -2.735 1.463 753 HG1 THR 117 HG1 THR 117 -62.133 -1.574 -1.133 754 HG21 THR 117 HG21 THR 117 -62.788 -4.765 0.242 755 HG22 THR 117 HG22 THR 117 -61.225 -4.135 -0.315 756 HG23 THR 117 HG23 THR 117 -62.686 -3.872 -1.288 757 H GLY 118 H GLY 118 -64.073 -0.920 -1.337 758 HA2 GLY 118 HA2 GLY 118 -65.037 -2.994 -3.024 759 HA3 GLY 118 HA3 GLY 118 -65.717 -1.373 -3.339 Start of MODEL 14 1 H1 GLY 1 H1 GLY 1 -3.534 -16.432 3.534 2 HA2 GLY 1 HA2 GLY 1 -1.338 -15.609 2.772 3 HA3 GLY 1 HA3 GLY 1 -1.702 -17.213 2.138 4 H SER 2 H SER 2 0.055 -15.129 0.872 5 HA SER 2 HA SER 2 -1.452 -14.762 -1.662 6 HB3 SER 2 HB3 SER 2 0.171 -12.683 -0.218 7 HG SER 2 HG SER 2 -0.212 -11.401 -1.807 8 H GLU 3 H GLU 3 -0.121 -14.378 -3.478 9 HA GLU 3 HA GLU 3 2.270 -15.911 -3.722 10 HB3 GLU 3 HB3 GLU 3 0.955 -15.586 -5.609 11 HG3 GLU 3 HG3 GLU 3 1.586 -12.759 -6.205 12 H ASN 4 H ASN 4 1.663 -12.417 -3.294 13 HA ASN 4 HA ASN 4 4.390 -11.683 -3.410 14 HB3 ASN 4 HB3 ASN 4 2.265 -10.188 -3.638 15 HD21 ASN 4 HD21 ASN 4 3.637 -8.530 -0.997 16 HD22 ASN 4 HD22 ASN 4 2.318 -8.760 0.150 17 H PHE 5 H PHE 5 2.844 -13.402 -0.869 18 HA PHE 5 HA PHE 5 4.205 -12.183 1.350 19 HB3 PHE 5 HB3 PHE 5 3.163 -15.018 1.003 20 HD1 PHE 5 HD1 PHE 5 3.531 -12.289 3.618 21 HD2 PHE 5 HD2 PHE 5 3.752 -16.487 2.685 22 HE1 PHE 5 HE1 PHE 5 4.054 -12.790 5.963 23 HE2 PHE 5 HE2 PHE 5 4.277 -16.987 5.062 24 HZ PHE 5 HZ PHE 5 4.351 -15.125 6.726 25 H GLN 6 H GLN 6 4.921 -15.262 -0.387 26 HA GLN 6 HA GLN 6 7.328 -15.648 1.026 27 HB3 GLN 6 HB3 GLN 6 6.528 -16.835 -1.638 28 HG3 GLN 6 HG3 GLN 6 8.825 -17.476 -1.126 29 HE21 GLN 6 HE21 GLN 6 10.490 -18.254 0.280 30 HE22 GLN 6 HE22 GLN 6 10.194 -18.574 1.972 31 H THR 7 H THR 7 6.780 -13.884 -2.032 32 HA THR 7 HA THR 7 9.498 -13.919 -2.882 33 HB THR 7 HB THR 7 7.526 -13.205 -4.269 34 HG1 THR 7 HG1 THR 7 9.406 -12.613 -5.181 35 HG21 THR 7 HG21 THR 7 6.405 -11.826 -2.676 36 HG22 THR 7 HG22 THR 7 6.641 -11.007 -4.216 37 HG23 THR 7 HG23 THR 7 7.645 -10.570 -2.807 38 H LEU 8 H LEU 8 7.787 -11.835 -0.530 39 HA LEU 8 HA LEU 8 9.938 -10.041 0.011 40 HB3 LEU 8 HB3 LEU 8 8.660 -9.521 2.100 41 HG LEU 8 HG LEU 8 6.993 -9.903 -0.429 42 HD11 LEU 8 HD11 LEU 8 5.534 -10.014 1.546 43 HD12 LEU 8 HD12 LEU 8 5.297 -8.518 0.647 44 HD13 LEU 8 HD13 LEU 8 6.257 -8.506 2.152 45 HD21 LEU 8 HD21 LEU 8 7.187 -7.456 -0.565 46 HD22 LEU 8 HD22 LEU 8 8.721 -8.295 -0.726 47 HD23 LEU 8 HD23 LEU 8 8.311 -7.484 0.812 48 H LEU 9 H LEU 9 8.982 -13.187 1.336 49 HA LEU 9 HA LEU 9 10.984 -13.289 3.418 50 HB3 LEU 9 HB3 LEU 9 10.523 -15.859 3.077 51 HG LEU 9 HG LEU 9 9.030 -13.709 4.411 52 HD11 LEU 9 HD11 LEU 9 7.400 -16.185 3.748 53 HD12 LEU 9 HD12 LEU 9 7.113 -14.539 3.143 54 HD13 LEU 9 HD13 LEU 9 6.955 -14.849 4.855 55 HD21 LEU 9 HD21 LEU 9 8.883 -15.413 6.208 56 HD22 LEU 9 HD22 LEU 9 10.535 -15.182 5.605 57 HD23 LEU 9 HD23 LEU 9 9.599 -16.611 5.123 58 H ASP 10 H ASP 10 11.258 -13.579 -0.026 59 HA ASP 10 HA ASP 10 14.065 -14.500 0.337 60 HB3 ASP 10 HB3 ASP 10 12.624 -14.416 -2.305 61 H ALA 11 H ALA 11 12.518 -11.656 0.293 62 HA ALA 11 HA ALA 11 14.041 -10.341 -1.841 63 HB1 ALA 11 HB1 ALA 11 11.587 -9.953 -1.552 64 HB2 ALA 11 HB2 ALA 11 11.941 -9.170 0.002 65 HB3 ALA 11 HB3 ALA 11 12.554 -8.502 -1.530 66 H GLY 12 H GLY 12 15.005 -11.132 1.162 67 HA2 GLY 12 HA2 GLY 12 16.919 -10.213 2.231 68 HA3 GLY 12 HA3 GLY 12 16.622 -8.656 1.483 69 H LEU 13 H LEU 13 13.834 -10.251 2.871 70 HA LEU 13 HA LEU 13 13.789 -8.238 5.081 71 HB3 LEU 13 HB3 LEU 13 11.445 -7.880 4.613 72 HG LEU 13 HG LEU 13 12.611 -8.039 1.813 73 HD11 LEU 13 HD11 LEU 13 10.568 -6.156 3.042 74 HD12 LEU 13 HD12 LEU 13 10.216 -7.586 2.046 75 HD13 LEU 13 HD13 LEU 13 11.075 -6.219 1.341 76 HD21 LEU 13 HD21 LEU 13 13.646 -6.315 3.933 77 HD22 LEU 13 HD22 LEU 13 12.960 -5.380 2.595 78 HD23 LEU 13 HD23 LEU 13 14.218 -6.578 2.292 79 HA PRO 14 HA PRO 14 12.718 -11.694 7.656 80 HB3 PRO 14 HB3 PRO 14 13.292 -10.221 9.412 81 HG3 PRO 14 HG3 PRO 14 12.576 -7.965 9.425 82 HD3 PRO 14 HD3 PRO 14 13.739 -8.242 7.421 83 H GLN 15 H GLN 15 10.903 -12.861 8.536 84 HA GLN 15 HA GLN 15 8.607 -12.861 6.921 85 HB3 GLN 15 HB3 GLN 15 8.807 -13.950 9.773 86 HG3 GLN 15 HG3 GLN 15 6.746 -14.080 7.566 87 HE21 GLN 15 HE21 GLN 15 6.318 -15.984 6.559 88 HE22 GLN 15 HE22 GLN 15 6.262 -17.525 7.401 89 H LYS 16 H LYS 16 8.906 -11.375 10.234 90 HA LYS 16 HA LYS 16 6.289 -10.579 10.459 91 HB3 LYS 16 HB3 LYS 16 7.521 -10.409 12.381 92 HG3 LYS 16 HG3 LYS 16 9.385 -8.463 11.018 93 HD3 LYS 16 HD3 LYS 16 9.030 -9.448 13.862 94 HE3 LYS 16 HE3 LYS 16 11.314 -10.213 13.007 95 HZ1 LYS 16 HZ1 LYS 16 12.339 -7.655 13.682 96 HZ2 LYS 16 HZ2 LYS 16 11.609 -7.641 12.198 97 HZ3 LYS 16 HZ3 LYS 16 12.860 -8.694 12.520 98 H VAL 17 H VAL 17 8.736 -8.975 8.480 99 HA VAL 17 HA VAL 17 7.071 -6.608 8.083 100 HB VAL 17 HB VAL 17 9.628 -7.635 6.779 101 HG11 VAL 17 HG11 VAL 17 7.990 -5.228 6.018 102 HG12 VAL 17 HG12 VAL 17 9.715 -5.399 5.642 103 HG13 VAL 17 HG13 VAL 17 8.565 -6.572 4.986 104 HG21 VAL 17 HG21 VAL 17 9.760 -6.774 9.120 105 HG22 VAL 17 HG22 VAL 17 10.732 -5.838 8.014 106 HG23 VAL 17 HG23 VAL 17 9.167 -5.211 8.557 107 H ALA 18 H ALA 18 7.566 -9.779 6.426 108 HA ALA 18 HA ALA 18 6.038 -9.078 4.129 109 HB1 ALA 18 HB1 ALA 18 6.531 -11.844 5.322 110 HB2 ALA 18 HB2 ALA 18 6.049 -11.462 3.663 111 HB3 ALA 18 HB3 ALA 18 7.659 -10.994 4.245 112 H GLU 19 H GLU 19 5.170 -10.541 7.266 113 HA GLU 19 HA GLU 19 2.509 -11.265 6.662 114 HB3 GLU 19 HB3 GLU 19 2.120 -11.138 9.114 115 HG3 GLU 19 HG3 GLU 19 4.883 -12.249 8.478 116 H LYS 20 H LYS 20 3.757 -8.146 7.836 117 HA LYS 20 HA LYS 20 1.111 -6.924 7.843 118 HB3 LYS 20 HB3 LYS 20 2.706 -4.775 7.946 119 HG3 LYS 20 HG3 LYS 20 1.259 -5.637 9.771 120 HD3 LYS 20 HD3 LYS 20 3.741 -7.205 10.640 121 HE3 LYS 20 HE3 LYS 20 1.928 -8.144 12.266 122 HZ1 LYS 20 HZ1 LYS 20 3.472 -6.706 13.280 123 HZ2 LYS 20 HZ2 LYS 20 1.978 -6.158 13.733 124 HZ3 LYS 20 HZ3 LYS 20 2.825 -5.342 12.604 125 H LEU 21 H LEU 21 2.909 -7.854 5.181 126 HA LEU 21 HA LEU 21 2.086 -5.503 3.551 127 HB3 LEU 21 HB3 LEU 21 4.313 -7.506 3.087 128 HG LEU 21 HG LEU 21 3.819 -6.727 0.909 129 HD11 LEU 21 HD11 LEU 21 3.456 -3.941 2.055 130 HD12 LEU 21 HD12 LEU 21 2.254 -4.899 1.173 131 HD13 LEU 21 HD13 LEU 21 3.647 -4.270 0.326 132 HD21 LEU 21 HD21 LEU 21 5.756 -5.409 0.359 133 HD22 LEU 21 HD22 LEU 21 6.206 -6.396 1.761 134 HD23 LEU 21 HD23 LEU 21 5.820 -4.691 1.987 135 H ASP 22 H ASP 22 2.125 -9.100 3.680 136 HA ASP 22 HA ASP 22 0.936 -9.578 1.189 137 HB3 ASP 22 HB3 ASP 22 1.622 -11.448 2.509 138 H GLU 23 H GLU 23 -0.719 -8.637 4.145 139 HA GLU 23 HA GLU 23 -3.261 -8.908 3.298 140 HB3 GLU 23 HB3 GLU 23 -3.071 -6.460 4.911 141 HG3 GLU 23 HG3 GLU 23 -3.633 -9.336 5.749 142 H ILE 24 H ILE 24 -1.104 -6.229 2.503 143 HA ILE 24 HA ILE 24 -3.055 -4.316 1.599 144 HB ILE 24 HB ILE 24 -0.083 -4.721 1.113 145 HG13 ILE 24 HG13 ILE 24 -1.056 -3.954 3.395 146 HG21 ILE 24 HG21 ILE 24 0.096 -2.534 0.067 147 HG22 ILE 24 HG22 ILE 24 -0.936 -3.569 -0.893 148 HG23 ILE 24 HG23 ILE 24 -1.655 -2.314 0.146 149 HD11 ILE 24 HD11 ILE 24 1.306 -3.566 2.882 150 HD12 ILE 24 HD12 ILE 24 0.904 -2.033 2.074 151 HD13 ILE 24 HD13 ILE 24 0.617 -2.238 3.808 152 H TYR 25 H TYR 25 -1.379 -7.060 0.071 153 HA TYR 25 HA TYR 25 -2.316 -6.373 -2.612 154 HB3 TYR 25 HB3 TYR 25 -1.510 -8.770 -3.071 155 HD1 TYR 25 HD1 TYR 25 0.782 -6.785 -0.830 156 HD2 TYR 25 HD2 TYR 25 -0.245 -7.911 -4.862 157 HE1 TYR 25 HE1 TYR 25 2.879 -5.750 -1.651 158 HE2 TYR 25 HE2 TYR 25 1.835 -6.850 -5.694 159 HH TYR 25 HH TYR 25 3.969 -5.880 -5.022 160 H VAL 26 H VAL 26 -3.842 -7.796 0.133 161 HA VAL 26 HA VAL 26 -5.789 -9.327 -1.519 162 HB VAL 26 HB VAL 26 -5.186 -9.335 1.467 163 HG11 VAL 26 HG11 VAL 26 -7.525 -9.975 1.121 164 HG12 VAL 26 HG12 VAL 26 -7.056 -11.120 -0.159 165 HG13 VAL 26 HG13 VAL 26 -6.574 -11.399 1.528 166 HG21 VAL 26 HG21 VAL 26 -4.552 -11.402 -0.697 167 HG22 VAL 26 HG22 VAL 26 -3.362 -10.363 0.110 168 HG23 VAL 26 HG23 VAL 26 -4.229 -11.569 1.043 169 H ALA 27 H ALA 27 -5.364 -6.410 0.359 170 HA ALA 27 HA ALA 27 -8.157 -5.898 0.854 171 HB1 ALA 27 HB1 ALA 27 -5.671 -4.153 0.988 172 HB2 ALA 27 HB2 ALA 27 -7.251 -3.746 1.689 173 HB3 ALA 27 HB3 ALA 27 -6.336 -5.135 2.312 174 H GLY 28 H GLY 28 -6.493 -5.700 -2.101 175 HA2 GLY 28 HA2 GLY 28 -6.981 -4.546 -4.049 176 HA3 GLY 28 HA3 GLY 28 -8.359 -3.791 -3.246 177 H LEU 29 H LEU 29 -5.354 -3.377 -1.548 178 HA LEU 29 HA LEU 29 -5.517 -0.482 -1.891 179 HB3 LEU 29 HB3 LEU 29 -3.296 -0.768 -0.454 180 HG LEU 29 HG LEU 29 -6.091 -1.363 0.572 181 HD11 LEU 29 HD11 LEU 29 -4.531 -2.571 2.055 182 HD12 LEU 29 HD12 LEU 29 -5.143 -1.130 2.868 183 HD13 LEU 29 HD13 LEU 29 -3.503 -1.133 2.175 184 HD21 LEU 29 HD21 LEU 29 -5.542 0.995 -0.103 185 HD22 LEU 29 HD22 LEU 29 -4.155 0.956 1.021 186 HD23 LEU 29 HD23 LEU 29 -5.793 0.857 1.646 187 H VAL 30 H VAL 30 -4.218 -2.920 -3.818 188 HA VAL 30 HA VAL 30 -2.536 -0.989 -5.193 189 HB VAL 30 HB VAL 30 -0.790 -2.832 -5.546 190 HG11 VAL 30 HG11 VAL 30 -0.471 -0.787 -4.094 191 HG12 VAL 30 HG12 VAL 30 -0.925 -1.775 -2.697 192 HG13 VAL 30 HG13 VAL 30 0.518 -2.186 -3.653 193 HG21 VAL 30 HG21 VAL 30 -1.977 -4.036 -3.023 194 HG22 VAL 30 HG22 VAL 30 -2.049 -4.750 -4.647 195 HG23 VAL 30 HG23 VAL 30 -0.485 -4.532 -3.840 196 H ALA 31 H ALA 31 -1.828 -1.859 -7.300 197 HA ALA 31 HA ALA 31 -3.741 -3.667 -8.618 198 HB1 ALA 31 HB1 ALA 31 -1.931 -1.457 -9.668 199 HB2 ALA 31 HB2 ALA 31 -3.108 -2.357 -10.655 200 HB3 ALA 31 HB3 ALA 31 -3.676 -1.268 -9.372 201 H HIS 32 H HIS 32 -1.461 -4.680 -7.157 202 HA HIS 32 HA HIS 32 0.127 -6.206 -7.250 203 HB3 HIS 32 HB3 HIS 32 -0.132 -6.470 -10.251 204 HD1 HIS 32 HD1 HIS 32 -1.105 -9.624 -9.046 205 HD2 HIS 32 HD2 HIS 32 2.422 -7.397 -9.101 206 HE1 HIS 32 HE1 HIS 32 0.791 -11.337 -8.935 207 H SER 33 H SER 33 0.679 -4.099 -10.197 208 HA SER 33 HA SER 33 3.501 -3.828 -9.316 209 HB3 SER 33 HB3 SER 33 3.414 -4.677 -11.492 210 HG SER 33 HG SER 33 1.370 -2.850 -11.922 211 H ASP 34 H ASP 34 1.107 -2.408 -8.185 212 HA ASP 34 HA ASP 34 1.233 0.354 -8.932 213 HB3 ASP 34 HB3 ASP 34 0.542 -0.026 -6.126 214 H LEU 35 H LEU 35 3.102 -1.640 -6.654 215 HA LEU 35 HA LEU 35 4.986 0.607 -6.170 216 HB3 LEU 35 HB3 LEU 35 5.333 -0.076 -3.912 217 HG LEU 35 HG LEU 35 2.316 -0.390 -4.212 218 HD11 LEU 35 HD11 LEU 35 3.615 -1.174 -2.045 219 HD12 LEU 35 HD12 LEU 35 2.176 -0.157 -1.881 220 HD13 LEU 35 HD13 LEU 35 3.789 0.557 -1.752 221 HD21 LEU 35 HD21 LEU 35 3.147 1.811 -5.025 222 HD22 LEU 35 HD22 LEU 35 3.980 2.060 -3.483 223 HD23 LEU 35 HD23 LEU 35 2.211 1.963 -3.532 224 H ASP 36 H ASP 36 6.878 -0.096 -7.362 225 HA ASP 36 HA ASP 36 8.394 -2.089 -6.249 226 HB3 ASP 36 HB3 ASP 36 7.300 -3.771 -7.317 227 H GLU 37 H GLU 37 10.330 -2.448 -7.693 228 HA GLU 37 HA GLU 37 12.106 -2.046 -8.744 229 HB3 GLU 37 HB3 GLU 37 10.792 0.331 -10.094 230 HG3 GLU 37 HG3 GLU 37 13.034 -1.535 -11.012 231 H ARG 38 H ARG 38 10.893 1.149 -8.350 232 HA ARG 38 HA ARG 38 13.220 1.880 -6.696 233 HB3 ARG 38 HB3 ARG 38 12.060 4.111 -6.403 234 HG3 ARG 38 HG3 ARG 38 12.210 3.329 -9.359 235 HD3 ARG 38 HD3 ARG 38 12.375 5.961 -7.808 236 HE ARG 38 HE ARG 38 13.451 5.460 -10.354 237 HH11 ARG 38 HH11 ARG 38 11.041 7.699 -8.990 238 HH12 ARG 38 HH12 ARG 38 11.635 9.070 -9.879 239 HH21 ARG 38 HH21 ARG 38 14.020 7.118 -11.667 240 HH22 ARG 38 HH22 ARG 38 13.348 8.716 -11.536 241 H ALA 39 H ALA 39 9.760 1.116 -6.207 242 HA ALA 39 HA ALA 39 9.976 1.858 -3.359 243 HB1 ALA 39 HB1 ALA 39 7.696 0.807 -3.215 244 HB2 ALA 39 HB2 ALA 39 7.802 2.191 -4.293 245 HB3 ALA 39 HB3 ALA 39 7.753 0.532 -4.958 246 H ILE 40 H ILE 40 11.016 -0.877 -5.230 247 HA ILE 40 HA ILE 40 11.037 -2.664 -2.863 248 HB ILE 40 HB ILE 40 12.372 -2.931 -5.595 249 HG13 ILE 40 HG13 ILE 40 10.195 -3.253 -6.102 250 HG21 ILE 40 HG21 ILE 40 13.709 -4.074 -3.873 251 HG22 ILE 40 HG22 ILE 40 12.259 -4.903 -3.274 252 HG23 ILE 40 HG23 ILE 40 12.905 -5.240 -4.899 253 HD11 ILE 40 HD11 ILE 40 10.508 -5.869 -4.646 254 HD12 ILE 40 HD12 ILE 40 9.324 -5.496 -5.910 255 HD13 ILE 40 HD13 ILE 40 11.053 -5.558 -6.325 256 H GLU 41 H GLU 41 13.426 -0.637 -4.778 257 HA GLU 41 HA GLU 41 15.720 -1.316 -3.400 258 HB3 GLU 41 HB3 GLU 41 16.279 1.276 -3.698 259 HG3 GLU 41 HG3 GLU 41 15.744 -0.440 -6.136 260 H ALA 42 H ALA 42 13.531 1.318 -2.444 261 HA ALA 42 HA ALA 42 15.079 1.769 -0.022 262 HB1 ALA 42 HB1 ALA 42 13.453 3.557 0.343 263 HB2 ALA 42 HB2 ALA 42 14.055 3.581 -1.336 264 HB3 ALA 42 HB3 ALA 42 12.445 2.921 -0.995 265 H LEU 43 H LEU 43 12.350 -0.293 -0.749 266 HA LEU 43 HA LEU 43 11.671 -0.673 2.130 267 HB3 LEU 43 HB3 LEU 43 10.374 -2.665 1.039 268 HG LEU 43 HG LEU 43 9.435 0.120 0.224 269 HD11 LEU 43 HD11 LEU 43 7.921 -2.414 0.967 270 HD12 LEU 43 HD12 LEU 43 8.089 -1.723 -0.666 271 HD13 LEU 43 HD13 LEU 43 7.177 -0.869 0.585 272 HD21 LEU 43 HD21 LEU 43 9.905 0.393 2.571 273 HD22 LEU 43 HD22 LEU 43 9.162 -1.182 2.956 274 HD23 LEU 43 HD23 LEU 43 8.168 0.181 2.400 275 H LYS 44 H LYS 44 13.994 -1.915 -0.226 276 HA LYS 44 HA LYS 44 14.390 -4.320 1.285 277 HB3 LYS 44 HB3 LYS 44 16.337 -2.931 -0.591 278 HG3 LYS 44 HG3 LYS 44 16.168 -5.660 0.660 279 HD3 LYS 44 HD3 LYS 44 16.658 -5.199 -2.286 280 HE3 LYS 44 HE3 LYS 44 17.836 -7.508 -2.127 281 HZ1 LYS 44 HZ1 LYS 44 19.032 -5.556 -2.755 282 HZ2 LYS 44 HZ2 LYS 44 19.971 -6.397 -1.717 283 HZ3 LYS 44 HZ3 LYS 44 19.203 -5.042 -1.201 284 H GLU 45 H GLU 45 15.132 -1.084 2.128 285 HA GLU 45 HA GLU 45 17.184 -1.995 4.091 286 HB3 GLU 45 HB3 GLU 45 18.402 0.053 3.660 287 HG3 GLU 45 HG3 GLU 45 17.729 -1.249 0.977 288 H PHE 46 H PHE 46 15.572 -2.182 5.796 289 HA PHE 46 HA PHE 46 15.016 0.461 7.036 290 HB3 PHE 46 HB3 PHE 46 12.916 -0.212 6.191 291 HD1 PHE 46 HD1 PHE 46 13.828 -3.266 8.350 292 HD2 PHE 46 HD2 PHE 46 12.104 -1.748 4.695 293 HE1 PHE 46 HE1 PHE 46 13.273 -5.539 7.675 294 HE2 PHE 46 HE2 PHE 46 11.434 -3.999 4.076 295 HZ PHE 46 HZ PHE 46 12.031 -5.941 5.547 296 H ASN 47 H ASN 47 14.385 0.083 9.403 297 HA ASN 47 HA ASN 47 15.918 -2.042 10.776 298 HB3 ASN 47 HB3 ASN 47 16.071 0.121 11.861 299 HD21 ASN 47 HD21 ASN 47 13.454 0.363 13.896 300 HD22 ASN 47 HD22 ASN 47 12.530 1.514 12.960 301 H GLU 48 H GLU 48 14.651 -3.153 12.377 302 HA GLU 48 HA GLU 48 12.592 -4.712 11.639 303 HB3 GLU 48 HB3 GLU 48 13.485 -3.744 14.367 304 HG3 GLU 48 HG3 GLU 48 11.164 -5.621 13.785 305 H ASP 49 H ASP 49 12.084 -1.601 13.431 306 HA ASP 49 HA ASP 49 9.189 -1.961 13.299 307 HB3 ASP 49 HB3 ASP 49 10.814 0.387 14.158 308 H GLY 50 H GLY 50 11.549 -0.789 11.129 309 HA2 GLY 50 HA2 GLY 50 10.394 1.646 10.395 310 HA3 GLY 50 HA3 GLY 50 11.718 0.828 9.564 311 H ALA 51 H ALA 51 10.431 -1.471 8.530 312 HA ALA 51 HA ALA 51 8.738 -0.340 6.408 313 HB1 ALA 51 HB1 ALA 51 9.666 -3.171 7.063 314 HB2 ALA 51 HB2 ALA 51 8.343 -2.834 5.930 315 HB3 ALA 51 HB3 ALA 51 9.932 -2.162 5.627 316 H LEU 52 H LEU 52 8.363 -2.275 9.391 317 HA LEU 52 HA LEU 52 5.641 -2.835 9.108 318 HB3 LEU 52 HB3 LEU 52 5.638 -2.898 11.686 319 HG LEU 52 HG LEU 52 7.958 -4.359 10.364 320 HD11 LEU 52 HD11 LEU 52 7.768 -5.969 12.187 321 HD12 LEU 52 HD12 LEU 52 6.433 -5.032 12.909 322 HD13 LEU 52 HD13 LEU 52 8.064 -4.352 12.866 323 HD21 LEU 52 HD21 LEU 52 5.046 -5.122 10.785 324 HD22 LEU 52 HD22 LEU 52 6.320 -6.263 10.337 325 HD23 LEU 52 HD23 LEU 52 5.891 -4.961 9.225 326 H ALA 53 H ALA 53 7.060 0.084 10.455 327 HA ALA 53 HA ALA 53 4.624 1.235 11.418 328 HB1 ALA 53 HB1 ALA 53 7.354 2.461 10.686 329 HB2 ALA 53 HB2 ALA 53 6.018 3.279 11.520 330 HB3 ALA 53 HB3 ALA 53 6.815 1.906 12.291 331 H VAL 54 H VAL 54 6.483 1.375 8.458 332 HA VAL 54 HA VAL 54 5.075 3.654 7.359 333 HB VAL 54 HB VAL 54 7.233 1.720 6.410 334 HG11 VAL 54 HG11 VAL 54 6.065 2.270 4.372 335 HG12 VAL 54 HG12 VAL 54 6.094 3.996 4.814 336 HG13 VAL 54 HG13 VAL 54 7.608 3.129 4.443 337 HG21 VAL 54 HG21 VAL 54 7.252 4.738 6.879 338 HG22 VAL 54 HG22 VAL 54 7.843 3.532 8.029 339 HG23 VAL 54 HG23 VAL 54 8.638 3.706 6.467 340 H LEU 55 H LEU 55 5.091 0.157 6.769 341 HA LEU 55 HA LEU 55 3.240 0.122 4.599 342 HB3 LEU 55 HB3 LEU 55 2.848 -2.256 5.532 343 HG LEU 55 HG LEU 55 5.776 -1.459 5.093 344 HD11 LEU 55 HD11 LEU 55 5.980 -3.852 4.420 345 HD12 LEU 55 HD12 LEU 55 4.298 -4.109 4.955 346 HD13 LEU 55 HD13 LEU 55 5.547 -3.644 6.122 347 HD21 LEU 55 HD21 LEU 55 5.282 -2.305 2.731 348 HD22 LEU 55 HD22 LEU 55 4.684 -0.707 3.155 349 HD23 LEU 55 HD23 LEU 55 3.559 -2.069 3.132 350 H GLN 56 H GLN 56 2.817 0.244 8.115 351 HA GLN 56 HA GLN 56 -0.064 -0.141 8.072 352 HB3 GLN 56 HB3 GLN 56 0.502 1.128 10.429 353 HG3 GLN 56 HG3 GLN 56 -0.337 -0.960 10.818 354 HE21 GLN 56 HE21 GLN 56 2.721 -1.845 9.044 355 HE22 GLN 56 HE22 GLN 56 1.810 -2.919 7.962 356 H GLN 57 H GLN 57 2.098 2.648 7.823 357 HA GLN 57 HA GLN 57 -0.030 4.609 7.973 358 HB3 GLN 57 HB3 GLN 57 1.475 6.185 7.010 359 HG3 GLN 57 HG3 GLN 57 3.576 4.787 8.478 360 HE21 GLN 57 HE21 GLN 57 4.859 6.447 9.157 361 HE22 GLN 57 HE22 GLN 57 4.303 8.047 9.621 362 H PHE 58 H PHE 58 1.636 2.926 5.276 363 HA PHE 58 HA PHE 58 0.218 4.108 3.170 364 HB3 PHE 58 HB3 PHE 58 1.510 1.371 3.326 365 HD1 PHE 58 HD1 PHE 58 -0.151 0.334 1.710 366 HD2 PHE 58 HD2 PHE 58 2.129 3.859 0.710 367 HE1 PHE 58 HE1 PHE 58 -0.723 0.038 -0.687 368 HE2 PHE 58 HE2 PHE 58 1.562 3.556 -1.670 369 HZ PHE 58 HZ PHE 58 0.120 1.646 -2.377 370 H LYS 59 H LYS 59 -0.622 1.174 5.005 371 HA LYS 59 HA LYS 59 -3.017 0.475 3.665 372 HB3 LYS 59 HB3 LYS 59 -3.716 -0.387 5.969 373 HG3 LYS 59 HG3 LYS 59 -1.021 -1.070 4.823 374 HD3 LYS 59 HD3 LYS 59 -2.150 -1.836 7.425 375 HE3 LYS 59 HE3 LYS 59 -1.284 -4.194 5.714 376 HZ1 LYS 59 HZ1 LYS 59 -1.165 -4.332 8.175 377 HZ2 LYS 59 HZ2 LYS 59 -2.345 -5.370 7.561 378 HZ3 LYS 59 HZ3 LYS 59 -2.740 -3.968 8.274 379 H ASP 60 H ASP 60 -2.461 3.105 5.977 380 HA ASP 60 HA ASP 60 -5.352 3.698 6.177 381 HB3 ASP 60 HB3 ASP 60 -2.919 4.719 7.687 382 H SER 61 H SER 61 -4.543 4.080 3.605 383 HA SER 61 HA SER 61 -4.493 7.017 3.429 384 HB3 SER 61 HB3 SER 61 -2.911 7.042 1.660 385 HG SER 61 HG SER 61 -2.044 5.211 3.631 386 H ASP 62 H ASP 62 -5.595 7.797 1.512 387 HA ASP 62 HA ASP 62 -7.738 5.927 0.586 388 HB3 ASP 62 HB3 ASP 62 -7.493 8.942 0.459 389 H LEU 63 H LEU 63 -6.830 4.720 -0.986 390 HA LEU 63 HA LEU 63 -4.969 6.041 -2.894 391 HB3 LEU 63 HB3 LEU 63 -4.115 3.682 -3.184 392 HG LEU 63 HG LEU 63 -3.988 4.907 -0.412 393 HD11 LEU 63 HD11 LEU 63 -3.489 2.535 -0.272 394 HD12 LEU 63 HD12 LEU 63 -2.003 3.463 -0.064 395 HD13 LEU 63 HD13 LEU 63 -2.336 2.642 -1.605 396 HD21 LEU 63 HD21 LEU 63 -2.944 6.307 -2.199 397 HD22 LEU 63 HD22 LEU 63 -1.929 4.920 -2.667 398 HD23 LEU 63 HD23 LEU 63 -1.758 5.664 -1.074 399 H SER 64 H SER 64 -8.144 5.557 -3.043 400 HA SER 64 HA SER 64 -8.507 3.858 -5.280 401 HB3 SER 64 HB3 SER 64 -10.235 6.243 -4.528 402 HG SER 64 HG SER 64 -11.002 5.206 -6.348 403 H HIS 65 H HIS 65 -7.562 7.288 -5.134 404 HA HIS 65 HA HIS 65 -7.892 7.527 -8.088 405 HB3 HIS 65 HB3 HIS 65 -8.583 9.459 -5.858 406 HD1 HIS 65 HD1 HIS 65 -8.746 11.731 -6.952 407 HD2 HIS 65 HD2 HIS 65 -10.350 8.597 -9.258 408 HE1 HIS 65 HE1 HIS 65 -9.808 12.831 -9.029 409 H VAL 66 H VAL 66 -5.469 7.550 -5.951 410 HA VAL 66 HA VAL 66 -3.997 9.951 -6.452 411 HB VAL 66 HB VAL 66 -3.777 8.532 -4.486 412 HG11 VAL 66 HG11 VAL 66 -2.580 6.377 -6.262 413 HG12 VAL 66 HG12 VAL 66 -2.728 6.374 -4.486 414 HG13 VAL 66 HG13 VAL 66 -4.174 6.305 -5.479 415 HG21 VAL 66 HG21 VAL 66 -1.747 9.828 -5.064 416 HG22 VAL 66 HG22 VAL 66 -1.384 8.296 -4.254 417 HG23 VAL 66 HG23 VAL 66 -1.115 8.430 -5.981 418 H GLN 67 H GLN 67 -1.819 9.989 -7.603 419 HA GLN 67 HA GLN 67 -2.009 8.826 -10.278 420 HB3 GLN 67 HB3 GLN 67 0.245 9.968 -10.577 421 HG3 GLN 67 HG3 GLN 67 -1.481 12.198 -9.704 422 HE21 GLN 67 HE21 GLN 67 -0.853 10.330 -12.719 423 HE22 GLN 67 HE22 GLN 67 0.153 11.575 -13.450 424 H ASN 68 H ASN 68 0.906 8.809 -8.120 425 HA ASN 68 HA ASN 68 1.561 6.143 -9.295 426 HB3 ASN 68 HB3 ASN 68 3.463 8.404 -8.501 427 HD21 ASN 68 HD21 ASN 68 4.959 6.658 -7.785 428 HD22 ASN 68 HD22 ASN 68 5.669 5.561 -8.947 429 H LYS 69 H LYS 69 0.804 4.881 -7.449 430 HA LYS 69 HA LYS 69 1.063 5.792 -4.773 431 HB3 LYS 69 HB3 LYS 69 0.670 3.493 -4.046 432 HG3 LYS 69 HG3 LYS 69 -0.998 4.067 -6.486 433 HD3 LYS 69 HD3 LYS 69 -1.838 2.852 -3.838 434 HE3 LYS 69 HE3 LYS 69 -3.638 3.843 -5.226 435 HZ1 LYS 69 HZ1 LYS 69 -2.710 1.933 -7.274 436 HZ2 LYS 69 HZ2 LYS 69 -2.703 3.531 -7.446 437 HZ3 LYS 69 HZ3 LYS 69 -4.158 2.748 -7.323 438 H SER 70 H SER 70 3.493 4.173 -6.814 439 HA SER 70 HA SER 70 5.148 3.454 -4.584 440 HB3 SER 70 HB3 SER 70 5.119 2.874 -7.243 441 HG SER 70 HG SER 70 7.018 3.439 -8.113 442 H ALA 71 H ALA 71 4.580 6.518 -6.174 443 HA ALA 71 HA ALA 71 6.945 7.835 -5.039 444 HB1 ALA 71 HB1 ALA 71 5.886 9.902 -5.766 445 HB2 ALA 71 HB2 ALA 71 5.872 8.735 -7.098 446 HB3 ALA 71 HB3 ALA 71 4.388 9.057 -6.167 447 H PHE 72 H PHE 72 3.435 7.429 -4.245 448 HA PHE 72 HA PHE 72 3.399 9.046 -1.948 449 HB3 PHE 72 HB3 PHE 72 1.741 6.532 -2.177 450 HD1 PHE 72 HD1 PHE 72 1.645 7.380 0.383 451 HD2 PHE 72 HD2 PHE 72 -0.085 9.437 -2.977 452 HE1 PHE 72 HE1 PHE 72 -0.093 8.396 1.878 453 HE2 PHE 72 HE2 PHE 72 -1.843 10.375 -1.490 454 HZ PHE 72 HZ PHE 72 -1.800 9.868 0.949 455 H LEU 73 H LEU 73 4.124 5.503 -2.297 456 HA LEU 73 HA LEU 73 4.567 5.013 0.453 457 HB3 LEU 73 HB3 LEU 73 5.837 3.711 -1.980 458 HG LEU 73 HG LEU 73 6.738 3.025 0.311 459 HD11 LEU 73 HD11 LEU 73 4.657 3.143 1.633 460 HD12 LEU 73 HD12 LEU 73 5.400 1.542 1.709 461 HD13 LEU 73 HD13 LEU 73 3.984 1.807 0.673 462 HD21 LEU 73 HD21 LEU 73 7.306 1.202 -0.816 463 HD22 LEU 73 HD22 LEU 73 5.951 1.427 -1.933 464 HD23 LEU 73 HD23 LEU 73 5.727 0.468 -0.476 465 H CYS 74 H CYS 74 6.762 6.088 -2.169 466 HA CYS 74 HA CYS 74 9.165 6.150 -0.651 467 HB3 CYS 74 HB3 CYS 74 8.376 7.929 -2.990 468 HG CYS 74 HG CYS 74 10.473 8.369 -1.160 469 H GLY 75 H GLY 75 6.443 8.451 -0.926 470 HA2 GLY 75 HA2 GLY 75 7.664 10.687 0.251 471 HA3 GLY 75 HA3 GLY 75 5.918 10.363 0.161 472 H VAL 76 H VAL 76 5.436 8.252 1.712 473 HA VAL 76 HA VAL 76 5.655 9.328 4.314 474 HB VAL 76 HB VAL 76 3.800 7.926 3.694 475 HG11 VAL 76 HG11 VAL 76 4.603 6.238 2.315 476 HG12 VAL 76 HG12 VAL 76 5.769 5.661 3.514 477 HG13 VAL 76 HG13 VAL 76 4.030 5.428 3.789 478 HG21 VAL 76 HG21 VAL 76 3.548 6.758 5.736 479 HG22 VAL 76 HG22 VAL 76 5.303 6.637 6.002 480 HG23 VAL 76 HG23 VAL 76 4.465 8.217 6.073 481 H MET 77 H MET 77 7.629 6.716 2.772 482 HA MET 77 HA MET 77 9.005 6.134 5.174 483 HB3 MET 77 HB3 MET 77 8.927 4.620 3.251 484 HG3 MET 77 HG3 MET 77 11.032 6.493 2.139 485 HE1 MET 77 HE1 MET 77 9.924 2.423 0.144 486 HE2 MET 77 HE2 MET 77 9.359 2.825 1.781 487 HE3 MET 77 HE3 MET 77 8.733 3.727 0.370 488 H LYS 78 H LYS 78 9.595 8.732 2.799 489 HA LYS 78 HA LYS 78 12.163 9.485 3.933 490 HB3 LYS 78 HB3 LYS 78 10.963 11.740 2.659 491 HG3 LYS 78 HG3 LYS 78 12.891 9.592 1.739 492 HD3 LYS 78 HD3 LYS 78 13.466 11.773 0.153 493 HE3 LYS 78 HE3 LYS 78 12.222 10.495 -1.699 494 HZ1 LYS 78 HZ1 LYS 78 13.746 8.558 -1.517 495 HZ2 LYS 78 HZ2 LYS 78 14.143 9.007 0.005 496 HZ3 LYS 78 HZ3 LYS 78 14.506 9.964 -1.270 497 H THR 79 H THR 79 8.860 9.991 4.940 498 HA THR 79 HA THR 79 9.513 12.407 6.497 499 HB THR 79 HB THR 79 6.956 10.747 6.378 500 HG1 THR 79 HG1 THR 79 7.416 11.555 4.335 501 HG21 THR 79 HG21 THR 79 7.082 12.246 8.342 502 HG22 THR 79 HG22 THR 79 5.893 12.848 7.178 503 HG23 THR 79 HG23 THR 79 7.496 13.615 7.289 504 H TYR 80 H TYR 80 8.237 9.106 7.397 505 HA TYR 80 HA TYR 80 8.282 9.635 10.049 506 HB3 TYR 80 HB3 TYR 80 7.361 7.567 8.790 507 HD1 TYR 80 HD1 TYR 80 9.331 7.006 7.058 508 HD2 TYR 80 HD2 TYR 80 9.094 5.579 11.103 509 HE1 TYR 80 HE1 TYR 80 10.866 5.152 6.465 510 HE2 TYR 80 HE2 TYR 80 10.526 3.684 10.545 511 HH TYR 80 HH TYR 80 11.685 3.055 7.199 512 H ARG 81 H ARG 81 11.128 8.555 8.239 513 HA ARG 81 HA ARG 81 12.779 7.809 10.391 514 HB3 ARG 81 HB3 ARG 81 14.694 8.311 8.918 515 HG3 ARG 81 HG3 ARG 81 12.376 6.978 7.486 516 HD3 ARG 81 HD3 ARG 81 15.371 6.558 7.214 517 HE ARG 81 HE ARG 81 13.348 5.491 5.353 518 HH11 ARG 81 HH11 ARG 81 15.581 4.654 7.996 519 HH12 ARG 81 HH12 ARG 81 15.997 3.111 7.318 520 HH21 ARG 81 HH21 ARG 81 13.714 3.339 4.626 521 HH22 ARG 81 HH22 ARG 81 14.948 2.365 5.323 522 H GLN 82 H GLN 82 11.622 11.019 9.643 523 HA GLN 82 HA GLN 82 13.675 12.550 10.819 524 HB3 GLN 82 HB3 GLN 82 11.630 13.295 9.443 525 HG3 GLN 82 HG3 GLN 82 10.385 13.506 12.208 526 HE21 GLN 82 HE21 GLN 82 7.710 13.422 10.886 527 HE22 GLN 82 HE22 GLN 82 7.532 14.979 10.129 528 H ARG 83 H ARG 83 11.220 10.471 12.360 529 HA ARG 83 HA ARG 83 11.641 11.634 15.016 530 HB3 ARG 83 HB3 ARG 83 10.725 9.476 15.840 531 HG3 ARG 83 HG3 ARG 83 9.226 11.473 14.898 532 HD3 ARG 83 HD3 ARG 83 8.578 9.078 13.108 533 HE ARG 83 HE ARG 83 6.756 11.252 12.862 534 HH11 ARG 83 HH11 ARG 83 7.275 8.174 14.646 535 HH12 ARG 83 HH12 ARG 83 5.673 8.167 15.299 536 HH21 ARG 83 HH21 ARG 83 4.715 11.265 13.904 537 HH22 ARG 83 HH22 ARG 83 4.129 9.809 14.644 538 H GLU 84 H GLU 84 13.071 9.002 13.086 539 HA GLU 84 HA GLU 84 14.612 7.945 15.240 540 HB3 GLU 84 HB3 GLU 84 15.722 6.604 13.433 541 HG3 GLU 84 HG3 GLU 84 13.684 5.486 12.496 542 H LYS 85 H LYS 85 15.715 9.773 12.281 543 HA LYS 85 HA LYS 85 17.725 11.110 13.905 544 HB3 LYS 85 HB3 LYS 85 19.396 10.168 11.874 545 HG3 LYS 85 HG3 LYS 85 19.087 9.092 14.709 546 HD3 LYS 85 HD3 LYS 85 21.353 8.822 12.700 547 HE3 LYS 85 HE3 LYS 85 22.241 9.248 14.984 548 HZ1 LYS 85 HZ1 LYS 85 20.622 8.324 16.425 549 HZ2 LYS 85 HZ2 LYS 85 21.968 7.428 16.570 550 HZ3 LYS 85 HZ3 LYS 85 20.693 6.826 15.705 551 H GLN 86 H GLN 86 18.521 12.850 12.983 552 HA GLN 86 HA GLN 86 17.328 14.182 10.733 553 HB3 GLN 86 HB3 GLN 86 18.149 15.554 12.449 554 HG3 GLN 86 HG3 GLN 86 20.636 15.859 12.849 555 HE21 GLN 86 HE21 GLN 86 19.762 16.127 15.012 556 HE22 GLN 86 HE22 GLN 86 19.506 14.732 16.025 557 H GLY 87 H GLY 87 17.686 13.751 8.644 558 HA2 GLY 87 HA2 GLY 87 20.164 13.853 7.465 559 HA3 GLY 87 HA3 GLY 87 19.908 12.124 7.718 560 H THR 88 H THR 88 16.825 13.592 7.168 561 HA THR 88 HA THR 88 16.917 12.843 4.302 562 HB THR 88 HB THR 88 15.213 11.737 6.558 563 HG1 THR 88 HG1 THR 88 16.763 10.386 6.752 564 HG21 THR 88 HG21 THR 88 15.315 10.916 3.619 565 HG22 THR 88 HG22 THR 88 13.969 11.767 4.418 566 HG23 THR 88 HG23 THR 88 14.378 10.109 4.894 567 H LYS 89 H LYS 89 15.740 14.307 3.150 568 HA LYS 89 HA LYS 89 13.831 16.147 4.537 569 HB3 LYS 89 HB3 LYS 89 14.398 16.703 1.693 570 HG3 LYS 89 HG3 LYS 89 14.981 18.396 4.173 571 HD3 LYS 89 HD3 LYS 89 14.491 19.216 1.279 572 HE3 LYS 89 HE3 LYS 89 15.849 21.261 2.032 573 HZ1 LYS 89 HZ1 LYS 89 14.009 22.451 2.780 574 HZ2 LYS 89 HZ2 LYS 89 13.174 21.116 3.268 575 HZ3 LYS 89 HZ3 LYS 89 13.412 21.450 1.674 576 H VAL 90 H VAL 90 11.745 16.576 3.279 577 HA VAL 90 HA VAL 90 10.664 13.969 2.477 578 HB VAL 90 HB VAL 90 8.469 15.106 2.790 579 HG11 VAL 90 HG11 VAL 90 8.620 14.999 5.239 580 HG12 VAL 90 HG12 VAL 90 9.573 13.704 4.504 581 HG13 VAL 90 HG13 VAL 90 10.385 15.134 5.173 582 HG21 VAL 90 HG21 VAL 90 9.327 17.501 2.515 583 HG22 VAL 90 HG22 VAL 90 8.299 17.213 3.897 584 HG23 VAL 90 HG23 VAL 90 10.058 17.343 4.126 585 H ALA 91 H ALA 91 11.976 14.114 0.589 586 HA ALA 91 HA ALA 91 11.168 16.011 -1.490 587 HB1 ALA 91 HB1 ALA 91 13.174 15.192 -2.623 588 HB2 ALA 91 HB2 ALA 91 13.519 15.701 -0.965 589 HB3 ALA 91 HB3 ALA 91 13.400 13.969 -1.335 590 H ASP 92 H ASP 92 8.960 14.796 -1.401 591 HA ASP 92 HA ASP 92 8.935 13.144 -3.861 592 HB3 ASP 92 HB3 ASP 92 8.478 11.772 -1.654 593 H SER 93 H SER 93 6.798 13.282 -4.974 594 HA SER 93 HA SER 93 4.886 15.304 -4.375 595 HB3 SER 93 HB3 SER 93 5.994 17.103 -5.121 596 HG SER 93 HG SER 93 7.988 16.658 -5.218 597 H SER 94 H SER 94 3.266 13.808 -4.934 598 HA SER 94 HA SER 94 2.804 13.782 -7.724 599 HB3 SER 94 HB3 SER 94 2.371 10.985 -7.205 600 HG SER 94 HG SER 94 2.810 12.226 -9.180 601 H LYS 95 H LYS 95 1.155 15.120 -6.901 602 HA LYS 95 HA LYS 95 -1.304 13.666 -6.282 603 HB3 LYS 95 HB3 LYS 95 -1.821 15.720 -4.654 604 HG3 LYS 95 HG3 LYS 95 -0.272 13.261 -3.797 605 HD3 LYS 95 HD3 LYS 95 -1.632 15.441 -2.180 606 HE3 LYS 95 HE3 LYS 95 -1.079 13.937 -0.211 607 HZ1 LYS 95 HZ1 LYS 95 -3.371 14.247 -1.152 608 HZ2 LYS 95 HZ2 LYS 95 -3.134 12.924 -0.218 609 HZ3 LYS 95 HZ3 LYS 95 -3.214 12.767 -1.855 610 H GLY 96 H GLY 96 -3.176 15.242 -6.611 611 HA2 GLY 96 HA2 GLY 96 -2.810 17.431 -8.448 612 HA3 GLY 96 HA3 GLY 96 -3.251 15.910 -9.248 613 HA PRO 97 HA PRO 97 -7.405 16.460 -7.361 614 HB3 PRO 97 HB3 PRO 97 -8.155 14.363 -8.049 615 HG3 PRO 97 HG3 PRO 97 -6.632 12.520 -8.123 616 HD3 PRO 97 HD3 PRO 97 -5.552 14.244 -9.307 617 H ASP 98 H ASP 98 -8.501 16.220 -5.242 618 HA ASP 98 HA ASP 98 -6.951 14.780 -3.314 619 HB3 ASP 98 HB3 ASP 98 -8.751 17.034 -2.343 620 H GLU 99 H GLU 99 -8.801 14.107 -1.700 621 HA GLU 99 HA GLU 99 -10.551 12.772 -1.261 622 HB3 GLU 99 HB3 GLU 99 -12.374 14.777 -1.848 623 HG3 GLU 99 HG3 GLU 99 -12.030 15.665 0.366 624 H ALA 100 H ALA 100 -11.427 10.938 -2.239 625 HA ALA 100 HA ALA 100 -13.190 11.352 -4.556 626 HB1 ALA 100 HB1 ALA 100 -11.077 11.109 -5.659 627 HB2 ALA 100 HB2 ALA 100 -10.701 9.637 -4.709 628 HB3 ALA 100 HB3 ALA 100 -12.021 9.653 -5.899 629 H LYS 101 H LYS 101 -14.866 10.692 -3.287 630 HA LYS 101 HA LYS 101 -14.850 8.280 -1.701 631 HB3 LYS 101 HB3 LYS 101 -17.266 8.373 -1.689 632 HG3 LYS 101 HG3 LYS 101 -15.807 10.245 -0.509 633 HD3 LYS 101 HD3 LYS 101 -17.845 12.080 -1.711 634 HE3 LYS 101 HE3 LYS 101 -15.012 12.169 -0.638 635 HZ1 LYS 101 HZ1 LYS 101 -14.736 14.330 -1.279 636 HZ2 LYS 101 HZ2 LYS 101 -16.261 14.526 -1.860 637 HZ3 LYS 101 HZ3 LYS 101 -15.198 13.570 -2.666 638 H ILE 102 H ILE 102 -14.696 6.268 -2.463 639 HA ILE 102 HA ILE 102 -15.783 5.542 -5.128 640 HB ILE 102 HB ILE 102 -13.450 4.995 -4.444 641 HG13 ILE 102 HG13 ILE 102 -15.136 2.501 -4.952 642 HG21 ILE 102 HG21 ILE 102 -13.749 4.540 -2.058 643 HG22 ILE 102 HG22 ILE 102 -14.618 3.034 -2.447 644 HG23 ILE 102 HG23 ILE 102 -12.911 3.237 -2.880 645 HD11 ILE 102 HD11 ILE 102 -15.488 4.078 -6.783 646 HD12 ILE 102 HD12 ILE 102 -13.744 4.436 -6.864 647 HD13 ILE 102 HD13 ILE 102 -14.350 2.831 -7.317 648 H LYS 103 H LYS 103 -16.254 5.179 -1.793 649 HA LYS 103 HA LYS 103 -17.692 2.765 -1.715 650 HB3 LYS 103 HB3 LYS 103 -18.138 4.897 0.376 651 HG3 LYS 103 HG3 LYS 103 -17.776 3.125 1.964 652 HD3 LYS 103 HD3 LYS 103 -19.437 1.788 -0.187 653 HE3 LYS 103 HE3 LYS 103 -19.778 1.878 2.817 654 HZ1 LYS 103 HZ1 LYS 103 -21.366 0.150 2.368 655 HZ2 LYS 103 HZ2 LYS 103 -20.963 0.095 0.781 656 HZ3 LYS 103 HZ3 LYS 103 -21.714 1.424 1.360 657 H ALA 104 H ALA 104 -19.075 6.096 -1.643 658 HA ALA 104 HA ALA 104 -21.825 5.176 -1.525 659 HB1 ALA 104 HB1 ALA 104 -22.366 7.564 -1.816 660 HB2 ALA 104 HB2 ALA 104 -21.158 7.341 -0.538 661 HB3 ALA 104 HB3 ALA 104 -20.657 7.936 -2.130 662 H LEU 105 H LEU 105 -22.219 3.846 -3.299 663 HA LEU 105 HA LEU 105 -22.027 5.036 -6.000 664 HB3 LEU 105 HB3 LEU 105 -20.852 2.298 -5.409 665 HG LEU 105 HG LEU 105 -21.379 3.251 -7.802 666 HD11 LEU 105 HD11 LEU 105 -18.807 4.790 -7.186 667 HD12 LEU 105 HD12 LEU 105 -20.405 5.534 -7.334 668 HD13 LEU 105 HD13 LEU 105 -19.685 4.734 -8.731 669 HD21 LEU 105 HD21 LEU 105 -19.954 1.280 -7.401 670 HD22 LEU 105 HD22 LEU 105 -18.579 2.333 -7.029 671 HD23 LEU 105 HD23 LEU 105 -19.271 2.281 -8.692 672 H LEU 106 H LEU 106 -24.114 4.956 -6.491 673 HA LEU 106 HA LEU 106 -25.922 2.951 -5.390 674 HB3 LEU 106 HB3 LEU 106 -26.572 4.979 -7.560 675 HG LEU 106 HG LEU 106 -28.655 5.270 -6.457 676 HD11 LEU 106 HD11 LEU 106 -28.359 2.257 -6.440 677 HD12 LEU 106 HD12 LEU 106 -28.387 3.209 -7.942 678 HD13 LEU 106 HD13 LEU 106 -29.770 3.253 -6.854 679 HD21 LEU 106 HD21 LEU 106 -29.335 4.152 -4.425 680 HD22 LEU 106 HD22 LEU 106 -27.860 5.067 -4.127 681 HD23 LEU 106 HD23 LEU 106 -27.794 3.290 -4.298 682 H GLU 107 H GLU 107 -26.183 0.993 -6.344 683 HA GLU 107 HA GLU 107 -25.966 0.727 -9.287 684 HB3 GLU 107 HB3 GLU 107 -25.414 -1.524 -7.322 685 HG3 GLU 107 HG3 GLU 107 -24.532 -1.029 -10.203 686 H ARG 108 H ARG 108 -27.664 -0.689 -10.160 687 HA ARG 108 HA ARG 108 -29.590 -1.813 -8.292 688 HB3 ARG 108 HB3 ARG 108 -31.170 -0.717 -10.433 689 HG3 ARG 108 HG3 ARG 108 -31.713 -1.330 -7.930 690 HD3 ARG 108 HD3 ARG 108 -31.747 1.648 -7.548 691 HE ARG 108 HE ARG 108 -31.508 -0.728 -5.799 692 HH11 ARG 108 HH11 ARG 108 -31.528 2.826 -5.837 693 HH12 ARG 108 HH12 ARG 108 -31.809 2.994 -4.144 694 HH21 ARG 108 HH21 ARG 108 -32.157 -0.513 -3.592 695 HH22 ARG 108 HH22 ARG 108 -32.261 1.022 -2.834 696 H THR 109 H THR 109 -31.267 -3.269 -9.737 697 HA THR 109 HA THR 109 -30.149 -4.534 -11.951 698 HB THR 109 HB THR 109 -28.486 -5.164 -10.186 699 HG1 THR 109 HG1 THR 109 -28.665 -6.695 -11.613 700 HG21 THR 109 HG21 THR 109 -29.964 -5.059 -8.173 701 HG22 THR 109 HG22 THR 109 -29.077 -6.585 -8.317 702 HG23 THR 109 HG23 THR 109 -30.796 -6.522 -8.744 703 H GLY 110 H GLY 110 -31.699 -6.219 -12.445 704 HA2 GLY 110 HA2 GLY 110 -34.181 -6.388 -10.933 705 HA3 GLY 110 HA3 GLY 110 -34.291 -6.047 -12.680 706 H TYR 111 H TYR 111 -35.389 -8.266 -12.428 707 HA TYR 111 HA TYR 111 -33.662 -10.598 -12.049 708 HB3 TYR 111 HB3 TYR 111 -36.050 -10.691 -11.408 709 HD1 TYR 111 HD1 TYR 111 -37.567 -8.813 -12.029 710 HD2 TYR 111 HD2 TYR 111 -36.544 -11.924 -14.841 711 HE1 TYR 111 HE1 TYR 111 -39.404 -8.075 -13.523 712 HE2 TYR 111 HE2 TYR 111 -38.374 -11.212 -16.314 713 HH TYR 111 HH TYR 111 -40.205 -9.805 -16.532 714 H THR 112 H THR 112 -33.094 -12.077 -13.745 715 HA THR 112 HA THR 112 -33.926 -11.809 -16.443 716 HB THR 112 HB THR 112 -31.007 -11.168 -15.776 717 HG1 THR 112 HG1 THR 112 -32.920 -9.548 -16.080 718 HG21 THR 112 HG21 THR 112 -30.642 -11.134 -18.234 719 HG22 THR 112 HG22 THR 112 -32.291 -11.747 -18.490 720 HG23 THR 112 HG23 THR 112 -31.075 -12.756 -17.673 721 H LEU 113 H LEU 113 -34.486 -14.007 -16.442 722 HA LEU 113 HA LEU 113 -32.449 -15.954 -16.279 723 HB3 LEU 113 HB3 LEU 113 -34.441 -17.123 -14.588 724 HG LEU 113 HG LEU 113 -31.655 -16.071 -13.924 725 HD11 LEU 113 HD11 LEU 113 -33.450 -17.915 -12.299 726 HD12 LEU 113 HD12 LEU 113 -33.024 -16.246 -11.889 727 HD13 LEU 113 HD13 LEU 113 -31.764 -17.492 -11.922 728 HD21 LEU 113 HD21 LEU 113 -31.646 -17.907 -15.606 729 HD22 LEU 113 HD22 LEU 113 -32.622 -18.905 -14.523 730 HD23 LEU 113 HD23 LEU 113 -30.977 -18.437 -14.063 731 H ASP 114 H ASP 114 -33.694 -18.189 -16.739 732 HA ASP 114 HA ASP 114 -35.691 -17.743 -18.834 733 HB3 ASP 114 HB3 ASP 114 -33.809 -19.353 -19.176 734 H VAL 115 H VAL 115 -35.311 -19.386 -15.670 735 HA VAL 115 HA VAL 115 -38.043 -20.162 -15.503 736 HB VAL 115 HB VAL 115 -37.539 -20.567 -13.073 737 HG11 VAL 115 HG11 VAL 115 -36.038 -22.440 -13.496 738 HG12 VAL 115 HG12 VAL 115 -37.204 -22.273 -14.823 739 HG13 VAL 115 HG13 VAL 115 -35.532 -21.729 -15.041 740 HG21 VAL 115 HG21 VAL 115 -35.268 -20.396 -12.230 741 HG22 VAL 115 HG22 VAL 115 -34.701 -19.702 -13.758 742 HG23 VAL 115 HG23 VAL 115 -35.821 -18.790 -12.723 743 H THR 116 H THR 116 -39.636 -19.509 -13.938 744 HA THR 116 HA THR 116 -40.438 -16.831 -14.197 745 HB THR 116 HB THR 116 -42.261 -17.725 -12.642 746 HG1 THR 116 HG1 THR 116 -40.946 -19.261 -11.632 747 HG21 THR 116 HG21 THR 116 -41.628 -19.447 -15.083 748 HG22 THR 116 HG22 THR 116 -42.471 -17.882 -15.116 749 HG23 THR 116 HG23 THR 116 -43.206 -19.277 -14.293 750 H THR 117 H THR 117 -38.721 -15.685 -13.359 751 HA THR 117 HA THR 117 -38.284 -15.676 -10.427 752 HB THR 117 HB THR 117 -36.738 -14.231 -12.629 753 HG1 THR 117 HG1 THR 117 -36.684 -16.454 -13.004 754 HG21 THR 117 HG21 THR 117 -35.951 -15.057 -9.792 755 HG22 THR 117 HG22 THR 117 -36.333 -13.405 -10.323 756 HG23 THR 117 HG23 THR 117 -34.907 -14.236 -10.972 757 H GLY 118 H GLY 118 -39.625 -14.234 -9.278 758 HA2 GLY 118 HA2 GLY 118 -39.807 -11.517 -9.793 759 HA3 GLY 118 HA3 GLY 118 -41.283 -12.329 -10.370 Start of MODEL 15 1 H1 GLY 1 H1 GLY 1 4.510 -15.476 -6.960 2 HA2 GLY 1 HA2 GLY 1 4.439 -14.383 -4.213 3 HA3 GLY 1 HA3 GLY 1 4.849 -16.083 -4.548 4 H SER 2 H SER 2 6.643 -14.013 -3.294 5 HA SER 2 HA SER 2 8.898 -14.521 -5.036 6 HB3 SER 2 HB3 SER 2 8.939 -11.774 -3.889 7 HG SER 2 HG SER 2 9.949 -11.421 -5.927 8 H GLU 3 H GLU 3 10.960 -13.622 -3.658 9 HA GLU 3 HA GLU 3 11.042 -15.197 -1.338 10 HB3 GLU 3 HB3 GLU 3 12.974 -14.558 -2.673 11 HG3 GLU 3 HG3 GLU 3 13.216 -11.921 -1.247 12 H ASN 4 H ASN 4 10.449 -11.636 -1.604 13 HA ASN 4 HA ASN 4 10.435 -11.456 1.280 14 HB3 ASN 4 HB3 ASN 4 10.835 -9.519 -0.512 15 HD21 ASN 4 HD21 ASN 4 8.762 -10.029 -2.063 16 HD22 ASN 4 HD22 ASN 4 7.400 -8.928 -1.801 17 H PHE 5 H PHE 5 8.158 -12.851 -0.690 18 HA PHE 5 HA PHE 5 5.656 -11.814 0.289 19 HB3 PHE 5 HB3 PHE 5 6.394 -14.534 -0.804 20 HD1 PHE 5 HD1 PHE 5 3.474 -12.136 -0.469 21 HD2 PHE 5 HD2 PHE 5 4.873 -16.171 -1.103 22 HE1 PHE 5 HE1 PHE 5 1.140 -12.921 -0.651 23 HE2 PHE 5 HE2 PHE 5 2.518 -16.942 -1.332 24 HZ PHE 5 HZ PHE 5 0.650 -15.320 -1.135 25 H GLN 6 H GLN 6 8.069 -13.819 1.678 26 HA GLN 6 HA GLN 6 6.179 -14.818 3.736 27 HB3 GLN 6 HB3 GLN 6 9.120 -15.519 3.358 28 HG3 GLN 6 HG3 GLN 6 7.980 -16.126 5.545 29 HE21 GLN 6 HE21 GLN 6 5.863 -16.105 6.180 30 HE22 GLN 6 HE22 GLN 6 4.596 -17.120 5.521 31 H THR 7 H THR 7 8.894 -12.457 3.399 32 HA THR 7 HA THR 7 9.357 -12.460 6.250 33 HB THR 7 HB THR 7 11.062 -11.771 4.633 34 HG1 THR 7 HG1 THR 7 11.919 -10.255 5.967 35 HG21 THR 7 HG21 THR 7 11.157 -9.449 3.799 36 HG22 THR 7 HG22 THR 7 9.453 -9.216 4.272 37 HG23 THR 7 HG23 THR 7 9.898 -10.412 3.056 38 H LEU 8 H LEU 8 7.184 -10.653 4.163 39 HA LEU 8 HA LEU 8 6.237 -8.698 5.954 40 HB3 LEU 8 HB3 LEU 8 4.189 -8.654 4.486 41 HG LEU 8 HG LEU 8 6.778 -9.230 2.967 42 HD11 LEU 8 HD11 LEU 8 4.098 -8.337 1.909 43 HD12 LEU 8 HD12 LEU 8 4.946 -9.857 1.551 44 HD13 LEU 8 HD13 LEU 8 5.632 -8.337 0.992 45 HD21 LEU 8 HD21 LEU 8 5.381 -6.616 3.572 46 HD22 LEU 8 HD22 LEU 8 6.848 -6.844 2.585 47 HD23 LEU 8 HD23 LEU 8 6.901 -7.223 4.301 48 H LEU 9 H LEU 9 5.184 -12.079 5.452 49 HA LEU 9 HA LEU 9 3.004 -12.081 7.264 50 HB3 LEU 9 HB3 LEU 9 3.598 -14.649 7.180 51 HG LEU 9 HG LEU 9 2.805 -14.965 4.904 52 HD11 LEU 9 HD11 LEU 9 0.559 -14.226 5.291 53 HD12 LEU 9 HD12 LEU 9 1.086 -12.950 6.418 54 HD13 LEU 9 HD13 LEU 9 1.242 -14.656 6.861 55 HD21 LEU 9 HD21 LEU 9 2.535 -11.965 4.738 56 HD22 LEU 9 HD22 LEU 9 2.241 -13.181 3.454 57 HD23 LEU 9 HD23 LEU 9 3.881 -12.895 4.060 58 H ASP 10 H ASP 10 6.481 -12.431 7.760 59 HA ASP 10 HA ASP 10 6.015 -13.255 10.565 60 HB3 ASP 10 HB3 ASP 10 8.658 -12.990 9.114 61 H ALA 11 H ALA 11 6.442 -10.392 8.848 62 HA ALA 11 HA ALA 11 7.777 -8.865 10.951 63 HB1 ALA 11 HB1 ALA 11 7.126 -6.966 9.503 64 HB2 ALA 11 HB2 ALA 11 7.924 -8.252 8.574 65 HB3 ALA 11 HB3 ALA 11 6.170 -8.072 8.498 66 H GLY 12 H GLY 12 4.561 -10.080 10.473 67 HA2 GLY 12 HA2 GLY 12 2.820 -9.686 12.102 68 HA3 GLY 12 HA3 GLY 12 3.457 -8.097 12.412 69 H LEU 13 H LEU 13 3.155 -9.284 9.046 70 HA LEU 13 HA LEU 13 0.935 -7.342 8.673 71 HB3 LEU 13 HB3 LEU 13 1.744 -6.922 6.457 72 HG LEU 13 HG LEU 13 4.199 -6.990 8.303 73 HD11 LEU 13 HD11 LEU 13 4.779 -6.763 5.943 74 HD12 LEU 13 HD12 LEU 13 5.143 -5.296 6.860 75 HD13 LEU 13 HD13 LEU 13 3.699 -5.354 5.810 76 HD21 LEU 13 HD21 LEU 13 3.772 -4.597 8.702 77 HD22 LEU 13 HD22 LEU 13 2.481 -5.601 9.359 78 HD23 LEU 13 HD23 LEU 13 2.234 -4.709 7.845 79 HA PRO 14 HA PRO 14 -1.247 -11.000 7.679 80 HB3 PRO 14 HB3 PRO 14 -3.144 -9.723 8.132 81 HG3 PRO 14 HG3 PRO 14 -3.266 -7.517 7.539 82 HD3 PRO 14 HD3 PRO 14 -1.221 -7.502 8.515 83 H GLN 15 H GLN 15 -2.052 -12.363 5.964 84 HA GLN 15 HA GLN 15 -0.356 -12.401 3.703 85 HB3 GLN 15 HB3 GLN 15 -3.053 -13.787 4.003 86 HG3 GLN 15 HG3 GLN 15 -0.856 -13.898 1.986 87 HE21 GLN 15 HE21 GLN 15 0.753 -15.537 2.142 88 HE22 GLN 15 HE22 GLN 15 0.306 -17.189 2.479 89 H LYS 16 H LYS 16 -3.774 -11.229 3.973 90 HA LYS 16 HA LYS 16 -4.172 -10.830 1.215 91 HB3 LYS 16 HB3 LYS 16 -6.095 -10.841 2.529 92 HG3 LYS 16 HG3 LYS 16 -4.993 -8.511 4.105 93 HD3 LYS 16 HD3 LYS 16 -7.633 -10.038 4.185 94 HE3 LYS 16 HE3 LYS 16 -6.687 -8.052 6.280 95 HZ1 LYS 16 HZ1 LYS 16 -8.402 -9.077 7.571 96 HZ2 LYS 16 HZ2 LYS 16 -8.906 -10.017 6.344 97 HZ3 LYS 16 HZ3 LYS 16 -9.094 -8.380 6.231 98 H VAL 17 H VAL 17 -2.379 -8.861 3.451 99 HA VAL 17 HA VAL 17 -2.170 -6.637 1.562 100 HB VAL 17 HB VAL 17 -0.921 -7.437 4.248 101 HG11 VAL 17 HG11 VAL 17 0.135 -5.147 4.300 102 HG12 VAL 17 HG12 VAL 17 0.927 -6.360 3.310 103 HG13 VAL 17 HG13 VAL 17 -0.083 -5.100 2.538 104 HG21 VAL 17 HG21 VAL 17 -2.201 -5.566 5.172 105 HG22 VAL 17 HG22 VAL 17 -2.732 -5.085 3.565 106 HG23 VAL 17 HG23 VAL 17 -3.297 -6.591 4.264 107 H ALA 18 H ALA 18 0.040 -9.269 2.772 108 HA ALA 18 HA ALA 18 2.131 -8.729 1.037 109 HB1 ALA 18 HB1 ALA 18 2.201 -10.297 2.954 110 HB2 ALA 18 HB2 ALA 18 1.220 -11.460 2.025 111 HB3 ALA 18 HB3 ALA 18 2.851 -11.029 1.479 112 H GLU 19 H GLU 19 -0.825 -10.558 0.241 113 HA GLU 19 HA GLU 19 0.023 -11.642 -2.263 114 HB3 GLU 19 HB3 GLU 19 -2.396 -11.743 -2.765 115 HG3 GLU 19 HG3 GLU 19 -2.418 -12.571 0.092 116 H LYS 20 H LYS 20 -0.760 -8.396 -1.438 117 HA LYS 20 HA LYS 20 -0.866 -7.566 -4.303 118 HB3 LYS 20 HB3 LYS 20 -1.357 -5.273 -2.971 119 HG3 LYS 20 HG3 LYS 20 -2.775 -6.551 -4.615 120 HD3 LYS 20 HD3 LYS 20 -4.247 -7.559 -2.132 121 HE3 LYS 20 HE3 LYS 20 -4.302 -8.488 -5.021 122 HZ1 LYS 20 HZ1 LYS 20 -6.629 -8.813 -4.600 123 HZ2 LYS 20 HZ2 LYS 20 -6.522 -8.197 -3.097 124 HZ3 LYS 20 HZ3 LYS 20 -5.774 -9.643 -3.441 125 H LEU 21 H LEU 21 1.510 -8.203 -2.181 126 HA LEU 21 HA LEU 21 3.117 -5.830 -2.978 127 HB3 LEU 21 HB3 LEU 21 3.461 -7.660 -0.576 128 HG LEU 21 HG LEU 21 5.581 -6.721 -0.900 129 HD11 LEU 21 HD11 LEU 21 5.381 -5.091 -2.655 130 HD12 LEU 21 HD12 LEU 21 5.864 -4.152 -1.243 131 HD13 LEU 21 HD13 LEU 21 4.169 -4.177 -1.753 132 HD21 LEU 21 HD21 LEU 21 4.426 -6.245 1.339 133 HD22 LEU 21 HD22 LEU 21 4.169 -4.606 0.774 134 HD23 LEU 21 HD23 LEU 21 5.827 -5.230 0.966 135 H ASP 22 H ASP 22 3.120 -9.397 -2.668 136 HA ASP 22 HA ASP 22 5.672 -10.039 -3.459 137 HB3 ASP 22 HB3 ASP 22 3.771 -11.708 -3.044 138 H GLU 23 H GLU 23 3.015 -9.212 -5.680 139 HA GLU 23 HA GLU 23 4.200 -9.826 -8.010 140 HB3 GLU 23 HB3 GLU 23 1.925 -8.165 -6.895 141 HG3 GLU 23 HG3 GLU 23 2.419 -8.325 -9.873 142 H ILE 24 H ILE 24 4.521 -6.943 -6.101 143 HA ILE 24 HA ILE 24 5.524 -5.126 -8.142 144 HB ILE 24 HB ILE 24 5.698 -5.076 -5.092 145 HG13 ILE 24 HG13 ILE 24 3.353 -5.222 -5.835 146 HG21 ILE 24 HG21 ILE 24 7.310 -3.524 -6.263 147 HG22 ILE 24 HG22 ILE 24 5.903 -2.718 -6.980 148 HG23 ILE 24 HG23 ILE 24 6.115 -2.731 -5.234 149 HD11 ILE 24 HD11 ILE 24 2.358 -3.289 -4.938 150 HD12 ILE 24 HD12 ILE 24 3.829 -3.597 -3.996 151 HD13 ILE 24 HD13 ILE 24 3.794 -2.298 -5.218 152 H TYR 25 H TYR 25 6.895 -7.449 -5.799 153 HA TYR 25 HA TYR 25 9.662 -6.687 -6.379 154 HB3 TYR 25 HB3 TYR 25 10.156 -8.753 -5.050 155 HD1 TYR 25 HD1 TYR 25 7.253 -7.273 -3.317 156 HD2 TYR 25 HD2 TYR 25 11.493 -7.012 -4.022 157 HE1 TYR 25 HE1 TYR 25 7.503 -5.764 -1.339 158 HE2 TYR 25 HE2 TYR 25 11.666 -5.383 -2.107 159 HH TYR 25 HH TYR 25 10.412 -3.902 -0.816 160 H VAL 26 H VAL 26 7.451 -8.229 -8.341 161 HA VAL 26 HA VAL 26 9.442 -10.209 -9.354 162 HB VAL 26 HB VAL 26 6.414 -10.058 -9.478 163 HG11 VAL 26 HG11 VAL 26 6.516 -12.283 -10.563 164 HG12 VAL 26 HG12 VAL 26 7.127 -10.994 -11.607 165 HG13 VAL 26 HG13 VAL 26 8.271 -12.084 -10.798 166 HG21 VAL 26 HG21 VAL 26 7.481 -10.871 -7.349 167 HG22 VAL 26 HG22 VAL 26 6.533 -12.112 -8.165 168 HG23 VAL 26 HG23 VAL 26 8.303 -12.137 -8.273 169 H ALA 27 H ALA 27 7.591 -7.339 -10.293 170 HA ALA 27 HA ALA 27 8.493 -7.676 -13.096 171 HB1 ALA 27 HB1 ALA 27 6.426 -5.805 -11.912 172 HB2 ALA 27 HB2 ALA 27 6.786 -6.022 -13.637 173 HB3 ALA 27 HB3 ALA 27 6.113 -7.368 -12.699 174 H GLY 28 H GLY 28 10.172 -6.421 -10.652 175 HA2 GLY 28 HA2 GLY 28 12.185 -5.389 -10.996 176 HA3 GLY 28 HA3 GLY 28 11.623 -4.738 -12.542 177 H LEU 29 H LEU 29 9.361 -4.003 -10.067 178 HA LEU 29 HA LEU 29 9.732 -1.217 -10.263 179 HB3 LEU 29 HB3 LEU 29 8.044 -1.386 -8.307 180 HG LEU 29 HG LEU 29 7.406 -1.097 -10.694 181 HD11 LEU 29 HD11 LEU 29 7.155 -4.095 -10.715 182 HD12 LEU 29 HD12 LEU 29 8.058 -3.038 -11.848 183 HD13 LEU 29 HD13 LEU 29 6.314 -3.024 -11.876 184 HD21 LEU 29 HD21 LEU 29 5.459 -2.903 -9.195 185 HD22 LEU 29 HD22 LEU 29 5.084 -1.631 -10.358 186 HD23 LEU 29 HD23 LEU 29 5.731 -1.184 -8.801 187 H VAL 30 H VAL 30 11.221 -3.674 -8.230 188 HA VAL 30 HA VAL 30 12.509 -1.516 -6.767 189 HB VAL 30 HB VAL 30 12.305 -3.004 -4.637 190 HG11 VAL 30 HG11 VAL 30 10.214 -1.859 -3.910 191 HG12 VAL 30 HG12 VAL 30 11.263 -0.750 -4.794 192 HG13 VAL 30 HG13 VAL 30 9.841 -1.451 -5.602 193 HG21 VAL 30 HG21 VAL 30 11.194 -4.936 -5.674 194 HG22 VAL 30 HG22 VAL 30 10.184 -4.222 -4.401 195 HG23 VAL 30 HG23 VAL 30 9.776 -3.939 -6.098 196 H ALA 31 H ALA 31 14.319 -2.119 -5.513 197 HA ALA 31 HA ALA 31 15.950 -4.126 -6.741 198 HB1 ALA 31 HB1 ALA 31 16.706 -1.768 -6.146 199 HB2 ALA 31 HB2 ALA 31 16.581 -2.231 -4.420 200 HB3 ALA 31 HB3 ALA 31 17.751 -3.042 -5.487 201 H HIS 32 H HIS 32 13.769 -4.942 -4.737 202 HA HIS 32 HA HIS 32 13.347 -6.053 -2.891 203 HB3 HIS 32 HB3 HIS 32 16.119 -7.181 -2.730 204 HD1 HIS 32 HD1 HIS 32 15.869 -9.791 -1.588 205 HD2 HIS 32 HD2 HIS 32 12.954 -6.843 -0.744 206 HE1 HIS 32 HE1 HIS 32 14.675 -10.524 0.513 207 H SER 33 H SER 33 16.740 -5.251 -1.857 208 HA SER 33 HA SER 33 15.733 -3.675 0.395 209 HB3 SER 33 HB3 SER 33 18.233 -3.033 0.478 210 HG SER 33 HG SER 33 17.391 -5.750 0.812 211 H ASP 34 H ASP 34 14.452 -2.231 -0.673 212 HA ASP 34 HA ASP 34 15.784 0.049 -2.060 213 HB3 ASP 34 HB3 ASP 34 13.114 -1.015 -2.945 214 H LEU 35 H LEU 35 14.515 -0.273 0.686 215 HA LEU 35 HA LEU 35 12.518 1.929 0.596 216 HB3 LEU 35 HB3 LEU 35 11.421 0.829 2.612 217 HG LEU 35 HG LEU 35 11.072 -0.841 0.120 218 HD11 LEU 35 HD11 LEU 35 8.729 -0.982 1.036 219 HD12 LEU 35 HD12 LEU 35 9.274 -0.094 2.466 220 HD13 LEU 35 HD13 LEU 35 9.952 -1.697 2.089 221 HD21 LEU 35 HD21 LEU 35 10.835 1.424 -0.669 222 HD22 LEU 35 HD22 LEU 35 9.829 1.868 0.736 223 HD23 LEU 35 HD23 LEU 35 9.239 0.733 -0.503 224 H ASP 36 H ASP 36 12.254 2.381 3.215 225 HA ASP 36 HA ASP 36 14.959 2.760 4.336 226 HB3 ASP 36 HB3 ASP 36 14.183 4.778 5.469 227 H GLU 37 H GLU 37 14.831 2.456 6.651 228 HA GLU 37 HA GLU 37 13.074 0.693 7.855 229 HB3 GLU 37 HB3 GLU 37 14.520 3.084 9.095 230 HG3 GLU 37 HG3 GLU 37 13.943 0.328 10.219 231 H ARG 38 H ARG 38 12.886 4.162 7.369 232 HA ARG 38 HA ARG 38 10.704 4.736 9.052 233 HB3 ARG 38 HB3 ARG 38 10.459 6.825 7.614 234 HG3 ARG 38 HG3 ARG 38 13.207 7.188 7.748 235 HD3 ARG 38 HD3 ARG 38 11.079 7.462 9.895 236 HE ARG 38 HE ARG 38 12.620 7.963 11.411 237 HH11 ARG 38 HH11 ARG 38 14.250 8.965 8.371 238 HH12 ARG 38 HH12 ARG 38 15.828 8.703 9.053 239 HH21 ARG 38 HH21 ARG 38 14.679 8.155 12.334 240 HH22 ARG 38 HH22 ARG 38 16.072 8.315 11.313 241 H ALA 39 H ALA 39 10.789 3.652 5.610 242 HA ALA 39 HA ALA 39 7.914 3.991 5.263 243 HB1 ALA 39 HB1 ALA 39 9.947 2.413 3.613 244 HB2 ALA 39 HB2 ALA 39 8.252 2.697 3.174 245 HB3 ALA 39 HB3 ALA 39 9.357 4.061 3.261 246 H ILE 40 H ILE 40 10.181 1.293 6.093 247 HA ILE 40 HA ILE 40 8.243 -0.768 6.152 248 HB ILE 40 HB ILE 40 10.868 -0.399 7.629 249 HG13 ILE 40 HG13 ILE 40 11.799 -1.903 6.007 250 HG21 ILE 40 HG21 ILE 40 9.156 -2.918 7.572 251 HG22 ILE 40 HG22 ILE 40 10.866 -2.837 8.078 252 HG23 ILE 40 HG23 ILE 40 9.628 -1.980 8.985 253 HD11 ILE 40 HD11 ILE 40 9.147 -1.960 4.518 254 HD12 ILE 40 HD12 ILE 40 10.684 -2.699 4.028 255 HD13 ILE 40 HD13 ILE 40 9.820 -3.333 5.426 256 H GLU 41 H GLU 41 9.353 1.356 8.932 257 HA GLU 41 HA GLU 41 7.706 0.083 10.814 258 HB3 GLU 41 HB3 GLU 41 8.607 3.018 10.740 259 HG3 GLU 41 HG3 GLU 41 8.282 1.071 13.020 260 H ALA 42 H ALA 42 7.044 2.881 8.665 261 HA ALA 42 HA ALA 42 4.446 3.421 9.830 262 HB1 ALA 42 HB1 ALA 42 5.594 4.015 7.070 263 HB2 ALA 42 HB2 ALA 42 4.068 4.678 7.715 264 HB3 ALA 42 HB3 ALA 42 5.616 5.106 8.480 265 H LEU 43 H LEU 43 5.640 1.308 7.242 266 HA LEU 43 HA LEU 43 3.036 0.339 6.514 267 HB3 LEU 43 HB3 LEU 43 4.462 -1.440 5.281 268 HG LEU 43 HG LEU 43 4.817 1.530 4.868 269 HD11 LEU 43 HD11 LEU 43 5.534 -0.666 2.923 270 HD12 LEU 43 HD12 LEU 43 6.683 0.323 3.833 271 HD13 LEU 43 HD13 LEU 43 5.621 1.097 2.656 272 HD21 LEU 43 HD21 LEU 43 3.205 1.120 2.937 273 HD22 LEU 43 HD22 LEU 43 2.508 1.005 4.554 274 HD23 LEU 43 HD23 LEU 43 2.889 -0.469 3.662 275 H LYS 44 H LYS 44 4.549 -0.100 9.434 276 HA LYS 44 HA LYS 44 3.682 -2.869 9.866 277 HB3 LYS 44 HB3 LYS 44 4.140 -0.757 11.969 278 HG3 LYS 44 HG3 LYS 44 3.337 -3.141 12.580 279 HD3 LYS 44 HD3 LYS 44 6.134 -3.715 11.571 280 HE3 LYS 44 HE3 LYS 44 6.369 -4.151 13.931 281 HZ1 LYS 44 HZ1 LYS 44 4.059 -4.438 14.602 282 HZ2 LYS 44 HZ2 LYS 44 4.945 -5.755 15.029 283 HZ3 LYS 44 HZ3 LYS 44 3.907 -5.806 13.747 284 H GLU 45 H GLU 45 2.233 0.407 9.800 285 HA GLU 45 HA GLU 45 -0.151 -0.698 11.226 286 HB3 GLU 45 HB3 GLU 45 0.910 0.685 12.721 287 HG3 GLU 45 HG3 GLU 45 1.023 2.930 10.655 288 H PHE 46 H PHE 46 -1.499 -1.304 9.569 289 HA PHE 46 HA PHE 46 -3.087 0.949 8.668 290 HB3 PHE 46 HB3 PHE 46 -2.044 0.775 6.647 291 HD1 PHE 46 HD1 PHE 46 -2.570 -2.943 7.133 292 HD2 PHE 46 HD2 PHE 46 0.158 0.240 6.165 293 HE1 PHE 46 HE1 PHE 46 -0.785 -4.614 6.688 294 HE2 PHE 46 HE2 PHE 46 1.890 -1.451 5.573 295 HZ PHE 46 HZ PHE 46 1.446 -3.844 5.859 296 H ASN 47 H ASN 47 -5.151 0.042 7.819 297 HA ASN 47 HA ASN 47 -6.432 -2.148 9.334 298 HB3 ASN 47 HB3 ASN 47 -7.693 -0.042 8.996 299 HD21 ASN 47 HD21 ASN 47 -9.522 0.495 6.797 300 HD22 ASN 47 HD22 ASN 47 -8.504 1.246 5.589 301 H GLU 48 H GLU 48 -8.102 -3.233 7.415 302 HA GLU 48 HA GLU 48 -6.552 -4.849 5.685 303 HB3 GLU 48 HB3 GLU 48 -9.452 -4.167 5.815 304 HG3 GLU 48 HG3 GLU 48 -7.898 -5.981 3.931 305 H ASP 49 H ASP 49 -7.840 -1.536 5.142 306 HA ASP 49 HA ASP 49 -7.478 -2.020 2.260 307 HB3 ASP 49 HB3 ASP 49 -8.389 0.522 3.385 308 H GLY 50 H GLY 50 -5.796 -0.360 4.802 309 HA2 GLY 50 HA2 GLY 50 -4.894 1.743 3.188 310 HA3 GLY 50 HA3 GLY 50 -4.425 1.416 4.871 311 H ALA 51 H ALA 51 -3.422 -1.354 3.691 312 HA ALA 51 HA ALA 51 -0.833 -0.412 2.607 313 HB1 ALA 51 HB1 ALA 51 -1.128 -2.360 4.256 314 HB2 ALA 51 HB2 ALA 51 -1.800 -3.259 2.898 315 HB3 ALA 51 HB3 ALA 51 -0.132 -2.657 2.812 316 H LEU 52 H LEU 52 -3.773 -2.245 1.765 317 HA LEU 52 HA LEU 52 -3.210 -2.960 -0.885 318 HB3 LEU 52 HB3 LEU 52 -5.829 -2.839 -1.057 319 HG LEU 52 HG LEU 52 -6.327 -4.671 0.511 320 HD11 LEU 52 HD11 LEU 52 -5.469 -5.118 -1.776 321 HD12 LEU 52 HD12 LEU 52 -5.065 -6.364 -0.575 322 HD13 LEU 52 HD13 LEU 52 -3.822 -5.201 -1.100 323 HD21 LEU 52 HD21 LEU 52 -3.376 -4.764 1.195 324 HD22 LEU 52 HD22 LEU 52 -4.706 -5.762 1.853 325 HD23 LEU 52 HD23 LEU 52 -4.606 -4.016 2.211 326 H ALA 53 H ALA 53 -4.504 0.077 0.339 327 HA ALA 53 HA ALA 53 -5.146 1.219 -2.249 328 HB1 ALA 53 HB1 ALA 53 -4.808 2.497 0.531 329 HB2 ALA 53 HB2 ALA 53 -5.528 3.274 -0.895 330 HB3 ALA 53 HB3 ALA 53 -6.314 1.877 -0.158 331 H VAL 54 H VAL 54 -2.392 1.208 -0.069 332 HA VAL 54 HA VAL 54 -1.103 3.530 -1.280 333 HB VAL 54 HB VAL 54 -0.524 1.606 1.001 334 HG11 VAL 54 HG11 VAL 54 1.696 2.199 0.084 335 HG12 VAL 54 HG12 VAL 54 1.275 3.924 0.287 336 HG13 VAL 54 HG13 VAL 54 1.396 2.858 1.700 337 HG21 VAL 54 HG21 VAL 54 -2.220 3.415 1.325 338 HG22 VAL 54 HG22 VAL 54 -0.794 3.639 2.356 339 HG23 VAL 54 HG23 VAL 54 -1.006 4.625 0.899 340 H LEU 55 H LEU 55 -0.558 0.034 -1.035 341 HA LEU 55 HA LEU 55 1.783 -0.119 -2.669 342 HB3 LEU 55 HB3 LEU 55 0.943 -2.553 -2.898 343 HG LEU 55 HG LEU 55 1.165 -1.514 -0.040 344 HD11 LEU 55 HD11 LEU 55 1.853 -3.854 0.417 345 HD12 LEU 55 HD12 LEU 55 1.534 -4.276 -1.287 346 HD13 LEU 55 HD13 LEU 55 0.208 -3.775 -0.222 347 HD21 LEU 55 HD21 LEU 55 3.196 -2.179 -2.191 348 HD22 LEU 55 HD22 LEU 55 3.602 -2.400 -0.492 349 HD23 LEU 55 HD23 LEU 55 3.150 -0.802 -1.085 350 H GLN 56 H GLN 56 -1.634 0.204 -3.485 351 HA GLN 56 HA GLN 56 -1.323 -0.711 -6.153 352 HB3 GLN 56 HB3 GLN 56 -3.304 1.301 -6.206 353 HG3 GLN 56 HG3 GLN 56 -4.897 -0.487 -6.290 354 HE21 GLN 56 HE21 GLN 56 -3.083 0.690 -8.236 355 HE22 GLN 56 HE22 GLN 56 -2.575 -0.517 -9.313 356 H GLN 57 H GLN 57 -1.355 2.681 -4.893 357 HA GLN 57 HA GLN 57 -0.700 3.795 -7.374 358 HB3 GLN 57 HB3 GLN 57 -0.126 5.839 -6.308 359 HG3 GLN 57 HG3 GLN 57 -2.158 4.656 -4.403 360 HE21 GLN 57 HE21 GLN 57 -2.829 6.451 -3.202 361 HE22 GLN 57 HE22 GLN 57 -3.248 7.970 -3.968 362 H PHE 58 H PHE 58 1.504 2.275 -5.086 363 HA PHE 58 HA PHE 58 3.924 3.246 -6.246 364 HB3 PHE 58 HB3 PHE 58 3.434 0.575 -4.873 365 HD1 PHE 58 HD1 PHE 58 5.752 3.507 -4.488 366 HD2 PHE 58 HD2 PHE 58 5.385 -0.707 -5.094 367 HE1 PHE 58 HE1 PHE 58 8.192 3.251 -4.077 368 HE2 PHE 58 HE2 PHE 58 7.811 -0.996 -4.678 369 HZ PHE 58 HZ PHE 58 9.243 0.989 -4.162 370 H LYS 59 H LYS 59 1.760 0.565 -7.218 371 HA LYS 59 HA LYS 59 3.418 -0.455 -9.417 372 HB3 LYS 59 HB3 LYS 59 1.374 -1.510 -10.195 373 HG3 LYS 59 HG3 LYS 59 1.759 -1.763 -7.213 374 HD3 LYS 59 HD3 LYS 59 -0.575 -2.360 -8.194 375 HE3 LYS 59 HE3 LYS 59 1.105 -4.699 -9.144 376 HZ1 LYS 59 HZ1 LYS 59 -0.854 -5.796 -9.577 377 HZ2 LYS 59 HZ2 LYS 59 -1.797 -4.448 -9.421 378 HZ3 LYS 59 HZ3 LYS 59 -1.147 -5.186 -8.099 379 H ASP 60 H ASP 60 1.337 2.246 -8.819 380 HA ASP 60 HA ASP 60 0.673 2.671 -11.662 381 HB3 ASP 60 HB3 ASP 60 -0.560 4.266 -9.428 382 H SER 61 H SER 61 3.279 3.035 -10.995 383 HA SER 61 HA SER 61 3.742 5.920 -11.342 384 HB3 SER 61 HB3 SER 61 5.618 5.889 -9.781 385 HG SER 61 HG SER 61 3.281 4.717 -8.605 386 H ASP 62 H ASP 62 5.507 6.286 -12.582 387 HA ASP 62 HA ASP 62 6.837 4.112 -14.008 388 HB3 ASP 62 HB3 ASP 62 7.279 7.123 -14.002 389 H LEU 63 H LEU 63 8.359 3.132 -12.970 390 HA LEU 63 HA LEU 63 9.986 4.544 -10.882 391 HB3 LEU 63 HB3 LEU 63 10.410 2.289 -9.944 392 HG LEU 63 HG LEU 63 7.403 2.782 -10.238 393 HD11 LEU 63 HD11 LEU 63 9.059 1.323 -8.158 394 HD12 LEU 63 HD12 LEU 63 7.928 0.631 -9.320 395 HD13 LEU 63 HD13 LEU 63 7.307 1.660 -8.020 396 HD21 LEU 63 HD21 LEU 63 7.530 4.001 -8.101 397 HD22 LEU 63 HD22 LEU 63 8.384 4.824 -9.385 398 HD23 LEU 63 HD23 LEU 63 9.307 3.929 -8.157 399 H SER 64 H SER 64 10.169 4.054 -14.002 400 HA SER 64 HA SER 64 12.289 2.363 -14.553 401 HB3 SER 64 HB3 SER 64 12.309 3.435 -16.723 402 HG SER 64 HG SER 64 9.660 3.918 -16.304 403 H HIS 65 H HIS 65 12.516 5.736 -13.307 404 HA HIS 65 HA HIS 65 15.448 5.440 -13.257 405 HB3 HIS 65 HB3 HIS 65 14.230 7.915 -14.465 406 HD1 HIS 65 HD1 HIS 65 16.772 6.208 -16.549 407 HD2 HIS 65 HD2 HIS 65 16.734 8.993 -13.385 408 HE1 HIS 65 HE1 HIS 65 18.987 7.460 -16.642 409 H VAL 66 H VAL 66 13.238 5.621 -11.174 410 HA VAL 66 HA VAL 66 13.606 8.278 -10.026 411 HB VAL 66 HB VAL 66 11.527 7.187 -9.703 412 HG11 VAL 66 HG11 VAL 66 11.229 5.186 -8.304 413 HG12 VAL 66 HG12 VAL 66 12.167 4.822 -9.751 414 HG13 VAL 66 HG13 VAL 66 12.991 4.995 -8.194 415 HG21 VAL 66 HG21 VAL 66 12.998 7.269 -7.025 416 HG22 VAL 66 HG22 VAL 66 12.441 8.704 -7.921 417 HG23 VAL 66 HG23 VAL 66 11.287 7.559 -7.275 418 H GLN 67 H GLN 67 15.025 8.913 -8.472 419 HA GLN 67 HA GLN 67 17.348 7.203 -7.953 420 HB3 GLN 67 HB3 GLN 67 16.676 10.093 -7.260 421 HG3 GLN 67 HG3 GLN 67 19.371 10.036 -7.378 422 HE21 GLN 67 HE21 GLN 67 18.297 8.215 -4.572 423 HE22 GLN 67 HE22 GLN 67 18.216 9.574 -3.472 424 H ASN 68 H ASN 68 14.564 8.428 -6.060 425 HA ASN 68 HA ASN 68 15.698 7.050 -3.652 426 HB3 ASN 68 HB3 ASN 68 13.736 9.367 -3.757 427 HD21 ASN 68 HD21 ASN 68 15.057 6.741 -1.698 428 HD22 ASN 68 HD22 ASN 68 14.248 7.364 -0.310 429 H LYS 69 H LYS 69 14.844 5.000 -4.401 430 HA LYS 69 HA LYS 69 12.198 4.708 -5.362 431 HB3 LYS 69 HB3 LYS 69 12.670 2.201 -4.565 432 HG3 LYS 69 HG3 LYS 69 14.693 2.186 -6.324 433 HD3 LYS 69 HD3 LYS 69 12.913 1.115 -7.215 434 HE3 LYS 69 HE3 LYS 69 10.912 2.537 -8.093 435 HZ1 LYS 69 HZ1 LYS 69 11.185 1.652 -5.311 436 HZ2 LYS 69 HZ2 LYS 69 10.762 0.738 -6.606 437 HZ3 LYS 69 HZ3 LYS 69 9.739 1.927 -6.087 438 H SER 70 H SER 70 13.332 4.463 -1.948 439 HA SER 70 HA SER 70 10.914 3.619 -0.865 440 HB3 SER 70 HB3 SER 70 13.154 3.945 0.270 441 HG SER 70 HG SER 70 13.116 6.071 1.443 442 H ALA 71 H ALA 71 11.870 6.854 -1.893 443 HA ALA 71 HA ALA 71 9.898 8.346 -0.611 444 HB1 ALA 71 HB1 ALA 71 10.952 8.933 -3.438 445 HB2 ALA 71 HB2 ALA 71 10.256 10.090 -2.305 446 HB3 ALA 71 HB3 ALA 71 11.816 9.335 -1.950 447 H PHE 72 H PHE 72 9.679 6.582 -3.681 448 HA PHE 72 HA PHE 72 7.142 7.653 -4.438 449 HB3 PHE 72 HB3 PHE 72 7.403 5.024 -5.541 450 HD1 PHE 72 HD1 PHE 72 5.572 7.137 -6.228 451 HD2 PHE 72 HD2 PHE 72 9.585 6.451 -7.583 452 HE1 PHE 72 HE1 PHE 72 5.103 8.392 -8.320 453 HE2 PHE 72 HE2 PHE 72 9.134 7.723 -9.646 454 HZ PHE 72 HZ PHE 72 6.849 8.681 -10.034 455 H LEU 73 H LEU 73 7.885 5.447 -1.857 456 HA LEU 73 HA LEU 73 5.076 4.553 -1.774 457 HB3 LEU 73 HB3 LEU 73 7.482 3.557 -0.204 458 HG LEU 73 HG LEU 73 5.333 2.817 0.780 459 HD11 LEU 73 HD11 LEU 73 3.834 1.308 -0.517 460 HD12 LEU 73 HD12 LEU 73 4.752 1.680 -1.993 461 HD13 LEU 73 HD13 LEU 73 3.811 2.940 -1.169 462 HD21 LEU 73 HD21 LEU 73 7.245 1.283 0.778 463 HD22 LEU 73 HD22 LEU 73 6.826 0.700 -0.854 464 HD23 LEU 73 HD23 LEU 73 5.762 0.348 0.518 465 H CYS 74 H CYS 74 7.602 6.511 -0.237 466 HA CYS 74 HA CYS 74 6.291 6.835 2.282 467 HB3 CYS 74 HB3 CYS 74 8.748 7.468 1.599 468 HG CYS 74 HG CYS 74 9.384 10.016 1.447 469 H GLY 75 H GLY 75 6.113 8.574 -0.829 470 HA2 GLY 75 HA2 GLY 75 4.623 10.773 0.174 471 HA3 GLY 75 HA3 GLY 75 4.808 10.346 -1.535 472 H VAL 76 H VAL 76 3.528 7.871 -1.736 473 HA VAL 76 HA VAL 76 0.818 8.514 -1.649 474 HB VAL 76 HB VAL 76 1.366 6.831 -3.118 475 HG11 VAL 76 HG11 VAL 76 2.274 4.647 -2.607 476 HG12 VAL 76 HG12 VAL 76 3.398 5.958 -2.265 477 HG13 VAL 76 HG13 VAL 76 2.561 5.154 -0.919 478 HG21 VAL 76 HG21 VAL 76 -0.819 6.570 -2.095 479 HG22 VAL 76 HG22 VAL 76 -0.138 5.021 -2.608 480 HG23 VAL 76 HG23 VAL 76 -0.132 5.462 -0.903 481 H MET 77 H MET 77 2.648 6.608 0.934 482 HA MET 77 HA MET 77 0.242 6.287 2.415 483 HB3 MET 77 HB3 MET 77 2.266 4.904 2.764 484 HG3 MET 77 HG3 MET 77 3.056 7.287 4.462 485 HE1 MET 77 HE1 MET 77 5.540 3.414 4.145 486 HE2 MET 77 HE2 MET 77 3.772 3.281 4.000 487 HE3 MET 77 HE3 MET 77 4.716 4.229 2.790 488 H LYS 78 H LYS 78 2.722 8.871 2.382 489 HA LYS 78 HA LYS 78 1.425 10.496 4.395 490 HB3 LYS 78 HB3 LYS 78 3.423 11.511 2.358 491 HG3 LYS 78 HG3 LYS 78 2.380 12.681 4.612 492 HD3 LYS 78 HD3 LYS 78 3.409 10.757 5.977 493 HE3 LYS 78 HE3 LYS 78 5.960 12.358 5.458 494 HZ1 LYS 78 HZ1 LYS 78 5.623 9.673 6.631 495 HZ2 LYS 78 HZ2 LYS 78 5.657 11.006 7.538 496 HZ3 LYS 78 HZ3 LYS 78 6.986 10.597 6.635 497 H THR 79 H THR 79 -0.110 9.666 1.842 498 HA THR 79 HA THR 79 -1.232 12.356 1.380 499 HB THR 79 HB THR 79 -0.768 10.283 -0.796 500 HG1 THR 79 HG1 THR 79 1.106 11.336 -0.330 501 HG21 THR 79 HG21 THR 79 -1.616 12.056 -2.310 502 HG22 THR 79 HG22 THR 79 -1.998 13.069 -0.900 503 HG23 THR 79 HG23 THR 79 -2.853 11.534 -1.147 504 H TYR 80 H TYR 80 -1.859 8.799 0.753 505 HA TYR 80 HA TYR 80 -4.605 9.179 0.593 506 HB3 TYR 80 HB3 TYR 80 -3.077 7.103 0.032 507 HD1 TYR 80 HD1 TYR 80 -1.635 7.093 2.373 508 HD2 TYR 80 HD2 TYR 80 -5.421 5.158 1.759 509 HE1 TYR 80 HE1 TYR 80 -1.166 5.628 4.325 510 HE2 TYR 80 HE2 TYR 80 -5.006 3.720 3.692 511 HH TYR 80 HH TYR 80 -1.929 3.416 5.253 512 H ARG 81 H ARG 81 -2.717 8.891 3.571 513 HA ARG 81 HA ARG 81 -4.788 8.336 5.417 514 HB3 ARG 81 HB3 ARG 81 -3.346 9.686 7.025 515 HG3 ARG 81 HG3 ARG 81 -1.786 7.609 5.460 516 HD3 ARG 81 HD3 ARG 81 -1.658 8.303 8.414 517 HE ARG 81 HE ARG 81 -0.185 6.367 6.790 518 HH11 ARG 81 HH11 ARG 81 -0.036 8.318 9.763 519 HH12 ARG 81 HH12 ARG 81 1.073 7.254 10.546 520 HH21 ARG 81 HH21 ARG 81 1.112 4.869 7.996 521 HH22 ARG 81 HH22 ARG 81 1.992 5.456 9.376 522 H GLN 82 H GLN 82 -4.371 11.264 3.434 523 HA GLN 82 HA GLN 82 -5.860 13.098 4.908 524 HB3 GLN 82 HB3 GLN 82 -4.570 13.331 2.659 525 HG3 GLN 82 HG3 GLN 82 -7.125 13.517 1.225 526 HE21 GLN 82 HE21 GLN 82 -5.100 14.726 0.141 527 HE22 GLN 82 HE22 GLN 82 -4.394 13.778 -1.149 528 H ARG 83 H ARG 83 -6.967 10.235 3.146 529 HA ARG 83 HA ARG 83 -9.794 10.946 3.849 530 HB3 ARG 83 HB3 ARG 83 -9.418 10.699 1.436 531 HG3 ARG 83 HG3 ARG 83 -9.477 8.008 0.882 532 HD3 ARG 83 HD3 ARG 83 -7.003 8.223 0.229 533 HE ARG 83 HE ARG 83 -9.256 9.227 -1.042 534 HH11 ARG 83 HH11 ARG 83 -5.828 10.223 -1.287 535 HH12 ARG 83 HH12 ARG 83 -5.739 9.682 -2.956 536 HH21 ARG 83 HH21 ARG 83 -9.191 9.123 -3.238 537 HH22 ARG 83 HH22 ARG 83 -7.748 9.432 -4.159 538 H GLU 84 H GLU 84 -7.288 8.577 4.406 539 HA GLU 84 HA GLU 84 -9.193 6.613 5.465 540 HB3 GLU 84 HB3 GLU 84 -6.535 5.780 6.025 541 HG3 GLU 84 HG3 GLU 84 -6.973 4.851 3.470 542 H LYS 85 H LYS 85 -6.721 8.834 6.842 543 HA LYS 85 HA LYS 85 -7.672 8.365 9.560 544 HB3 LYS 85 HB3 LYS 85 -5.074 7.192 8.507 545 HG3 LYS 85 HG3 LYS 85 -5.645 8.119 11.331 546 HD3 LYS 85 HD3 LYS 85 -3.537 6.415 11.652 547 HE3 LYS 85 HE3 LYS 85 -6.493 6.143 12.123 548 HZ1 LYS 85 HZ1 LYS 85 -5.987 3.950 11.703 549 HZ2 LYS 85 HZ2 LYS 85 -6.067 4.083 13.304 550 HZ3 LYS 85 HZ3 LYS 85 -4.574 3.931 12.589 551 H GLN 86 H GLN 86 -8.094 10.540 9.235 552 HA GLN 86 HA GLN 86 -6.372 12.640 8.531 553 HB3 GLN 86 HB3 GLN 86 -8.685 13.081 8.581 554 HG3 GLN 86 HG3 GLN 86 -9.795 13.232 11.010 555 HE21 GLN 86 HE21 GLN 86 -11.868 12.148 10.919 556 HE22 GLN 86 HE22 GLN 86 -12.097 10.732 9.891 557 H GLY 87 H GLY 87 -4.292 12.151 9.424 558 HA2 GLY 87 HA2 GLY 87 -3.711 13.377 11.968 559 HA3 GLY 87 HA3 GLY 87 -3.677 11.604 12.018 560 H THR 88 H THR 88 -2.799 13.492 9.023 561 HA THR 88 HA THR 88 -0.050 13.520 9.878 562 HB THR 88 HB THR 88 -0.648 11.185 8.810 563 HG1 THR 88 HG1 THR 88 1.423 11.609 9.191 564 HG21 THR 88 HG21 THR 88 -1.688 12.058 6.712 565 HG22 THR 88 HG22 THR 88 -0.280 11.017 6.408 566 HG23 THR 88 HG23 THR 88 -0.130 12.762 6.254 567 H LYS 89 H LYS 89 1.224 14.514 8.159 568 HA LYS 89 HA LYS 89 0.273 17.126 7.536 569 HB3 LYS 89 HB3 LYS 89 2.664 16.695 7.820 570 HG3 LYS 89 HG3 LYS 89 2.509 15.071 5.240 571 HD3 LYS 89 HD3 LYS 89 4.904 14.549 5.703 572 HE3 LYS 89 HE3 LYS 89 4.511 17.529 5.311 573 HZ1 LYS 89 HZ1 LYS 89 6.310 15.778 3.800 574 HZ2 LYS 89 HZ2 LYS 89 6.832 16.539 5.198 575 HZ3 LYS 89 HZ3 LYS 89 6.305 17.401 3.917 576 H VAL 90 H VAL 90 -0.177 18.164 5.549 577 HA VAL 90 HA VAL 90 -0.816 16.470 3.216 578 HB VAL 90 HB VAL 90 -2.876 16.491 4.259 579 HG11 VAL 90 HG11 VAL 90 -2.621 18.131 6.035 580 HG12 VAL 90 HG12 VAL 90 -2.629 19.463 4.858 581 HG13 VAL 90 HG13 VAL 90 -4.075 18.480 5.117 582 HG21 VAL 90 HG21 VAL 90 -3.054 18.849 2.348 583 HG22 VAL 90 HG22 VAL 90 -2.928 17.148 1.857 584 HG23 VAL 90 HG23 VAL 90 -4.335 17.693 2.777 585 H ALA 91 H ALA 91 0.947 17.220 2.206 586 HA ALA 91 HA ALA 91 1.363 20.127 1.845 587 HB1 ALA 91 HB1 ALA 91 3.274 19.438 0.449 588 HB2 ALA 91 HB2 ALA 91 3.367 18.675 2.039 589 HB3 ALA 91 HB3 ALA 91 2.824 17.733 0.628 590 H ASP 92 H ASP 92 1.706 20.606 -0.620 591 HA ASP 92 HA ASP 92 -0.696 20.305 -2.142 592 HB3 ASP 92 HB3 ASP 92 2.154 20.973 -2.995 593 H SER 93 H SER 93 -0.847 19.043 -4.259 594 HA SER 93 HA SER 93 1.098 17.130 -4.945 595 HB3 SER 93 HB3 SER 93 0.477 15.803 -3.071 596 HG SER 93 HG SER 93 -1.907 16.926 -3.373 597 H SER 94 H SER 94 0.508 16.000 -7.028 598 HA SER 94 HA SER 94 -2.083 16.367 -8.125 599 HB3 SER 94 HB3 SER 94 0.087 17.380 -9.914 600 HG SER 94 HG SER 94 -1.721 17.935 -10.819 601 H LYS 95 H LYS 95 -2.373 14.599 -9.023 602 HA LYS 95 HA LYS 95 -0.383 12.840 -10.374 603 HB3 LYS 95 HB3 LYS 95 -0.586 12.016 -8.062 604 HG3 LYS 95 HG3 LYS 95 -3.569 11.678 -8.652 605 HD3 LYS 95 HD3 LYS 95 -1.755 10.514 -6.558 606 HE3 LYS 95 HE3 LYS 95 -3.653 10.296 -5.008 607 HZ1 LYS 95 HZ1 LYS 95 -3.505 12.558 -4.133 608 HZ2 LYS 95 HZ2 LYS 95 -3.073 13.149 -5.563 609 HZ3 LYS 95 HZ3 LYS 95 -2.023 12.182 -4.797 610 H GLY 96 H GLY 96 -1.947 10.779 -11.292 611 HA2 GLY 96 HA2 GLY 96 -4.708 11.293 -11.684 612 HA3 GLY 96 HA3 GLY 96 -3.832 11.844 -13.118 613 HA PRO 97 HA PRO 97 -2.624 7.264 -12.915 614 HB3 PRO 97 HB3 PRO 97 -2.183 6.658 -10.720 615 HG3 PRO 97 HG3 PRO 97 -3.600 7.303 -8.934 616 HD3 PRO 97 HD3 PRO 97 -3.046 9.295 -10.021 617 H ASP 98 H ASP 98 -3.486 5.794 -14.410 618 HA ASP 98 HA ASP 98 -6.391 6.074 -14.911 619 HB3 ASP 98 HB3 ASP 98 -4.912 7.493 -16.266 620 H GLU 99 H GLU 99 -6.392 3.984 -13.709 621 HA GLU 99 HA GLU 99 -6.607 1.751 -15.600 622 HB3 GLU 99 HB3 GLU 99 -4.548 1.568 -13.347 623 HG3 GLU 99 HG3 GLU 99 -5.205 -0.325 -15.659 624 H ALA 100 H ALA 100 -8.028 0.102 -14.747 625 HA ALA 100 HA ALA 100 -8.992 0.367 -11.952 626 HB1 ALA 100 HB1 ALA 100 -10.684 0.737 -14.454 627 HB2 ALA 100 HB2 ALA 100 -11.342 0.461 -12.826 628 HB3 ALA 100 HB3 ALA 100 -10.395 1.918 -13.167 629 H LYS 101 H LYS 101 -8.498 -1.699 -11.312 630 HA LYS 101 HA LYS 101 -9.190 -3.986 -13.098 631 HB3 LYS 101 HB3 LYS 101 -7.117 -5.013 -12.048 632 HG3 LYS 101 HG3 LYS 101 -7.017 -2.475 -13.744 633 HD3 LYS 101 HD3 LYS 101 -4.805 -2.751 -12.819 634 HE3 LYS 101 HE3 LYS 101 -4.861 -5.465 -14.201 635 HZ1 LYS 101 HZ1 LYS 101 -2.907 -4.312 -14.795 636 HZ2 LYS 101 HZ2 LYS 101 -2.457 -5.401 -13.625 637 HZ3 LYS 101 HZ3 LYS 101 -2.583 -3.806 -13.280 638 H ILE 102 H ILE 102 -10.735 -5.253 -12.253 639 HA ILE 102 HA ILE 102 -11.239 -5.034 -9.321 640 HB ILE 102 HB ILE 102 -12.642 -3.690 -10.727 641 HG13 ILE 102 HG13 ILE 102 -13.411 -5.249 -8.584 642 HG21 ILE 102 HG21 ILE 102 -13.774 -6.185 -12.013 643 HG22 ILE 102 HG22 ILE 102 -14.420 -4.547 -12.157 644 HG23 ILE 102 HG23 ILE 102 -12.827 -4.902 -12.817 645 HD11 ILE 102 HD11 ILE 102 -13.976 -2.894 -8.798 646 HD12 ILE 102 HD12 ILE 102 -15.129 -3.249 -10.102 647 HD13 ILE 102 HD13 ILE 102 -15.433 -3.840 -8.454 648 H LYS 103 H LYS 103 -11.333 -7.070 -12.086 649 HA LYS 103 HA LYS 103 -11.853 -9.015 -12.712 650 HB3 LYS 103 HB3 LYS 103 -9.677 -9.132 -12.363 651 HG3 LYS 103 HG3 LYS 103 -9.583 -10.765 -9.935 652 HD3 LYS 103 HD3 LYS 103 -8.171 -8.238 -10.816 653 HE3 LYS 103 HE3 LYS 103 -7.305 -10.559 -8.973 654 HZ1 LYS 103 HZ1 LYS 103 -5.400 -9.310 -8.462 655 HZ2 LYS 103 HZ2 LYS 103 -5.940 -7.962 -9.213 656 HZ3 LYS 103 HZ3 LYS 103 -5.453 -9.257 -10.089 657 H ALA 104 H ALA 104 -11.774 -9.359 -9.422 658 HA ALA 104 HA ALA 104 -14.457 -10.150 -8.864 659 HB1 ALA 104 HB1 ALA 104 -14.013 -12.446 -7.941 660 HB2 ALA 104 HB2 ALA 104 -13.861 -12.365 -9.709 661 HB3 ALA 104 HB3 ALA 104 -12.405 -12.411 -8.693 662 H LEU 105 H LEU 105 -14.309 -8.519 -7.326 663 HA LEU 105 HA LEU 105 -12.246 -8.758 -5.194 664 HB3 LEU 105 HB3 LEU 105 -13.680 -6.546 -4.490 665 HG LEU 105 HG LEU 105 -11.496 -6.514 -6.619 666 HD11 LEU 105 HD11 LEU 105 -11.123 -4.202 -5.868 667 HD12 LEU 105 HD12 LEU 105 -12.492 -4.328 -4.730 668 HD13 LEU 105 HD13 LEU 105 -12.772 -4.399 -6.481 669 HD21 LEU 105 HD21 LEU 105 -10.541 -7.588 -4.701 670 HD22 LEU 105 HD22 LEU 105 -11.388 -6.511 -3.573 671 HD23 LEU 105 HD23 LEU 105 -10.051 -5.908 -4.589 672 H LEU 106 H LEU 106 -13.318 -8.180 -2.953 673 HA LEU 106 HA LEU 106 -15.760 -9.774 -2.538 674 HB3 LEU 106 HB3 LEU 106 -14.412 -10.709 -0.470 675 HG LEU 106 HG LEU 106 -13.963 -11.711 -3.309 676 HD11 LEU 106 HD11 LEU 106 -12.065 -12.443 -1.993 677 HD12 LEU 106 HD12 LEU 106 -13.146 -13.811 -2.254 678 HD13 LEU 106 HD13 LEU 106 -13.117 -12.986 -0.672 679 HD21 LEU 106 HD21 LEU 106 -15.696 -12.708 -0.994 680 HD22 LEU 106 HD22 LEU 106 -15.514 -13.505 -2.580 681 HD23 LEU 106 HD23 LEU 106 -16.279 -11.908 -2.481 682 H GLU 107 H GLU 107 -16.644 -9.453 -0.395 683 HA GLU 107 HA GLU 107 -16.775 -6.831 0.581 684 HB3 GLU 107 HB3 GLU 107 -17.289 -8.979 2.552 685 HG3 GLU 107 HG3 GLU 107 -19.187 -7.118 1.055 686 H ARG 108 H ARG 108 -15.925 -5.952 2.587 687 HA ARG 108 HA ARG 108 -13.758 -7.118 4.023 688 HB3 ARG 108 HB3 ARG 108 -12.410 -6.799 2.090 689 HG3 ARG 108 HG3 ARG 108 -13.618 -4.050 1.820 690 HD3 ARG 108 HD3 ARG 108 -10.942 -5.097 0.751 691 HE ARG 108 HE ARG 108 -11.486 -2.271 0.514 692 HH11 ARG 108 HH11 ARG 108 -11.491 -5.360 -1.268 693 HH12 ARG 108 HH12 ARG 108 -11.028 -4.591 -2.753 694 HH21 ARG 108 HH21 ARG 108 -11.188 -1.302 -1.465 695 HH22 ARG 108 HH22 ARG 108 -10.962 -2.212 -2.910 696 H THR 109 H THR 109 -15.956 -6.076 5.159 697 HA THR 109 HA THR 109 -15.042 -3.690 6.436 698 HB THR 109 HB THR 109 -15.828 -2.876 4.253 699 HG1 THR 109 HG1 THR 109 -15.865 -1.459 5.767 700 HG21 THR 109 HG21 THR 109 -18.599 -3.828 4.975 701 HG22 THR 109 HG22 THR 109 -17.559 -4.418 3.652 702 HG23 THR 109 HG23 THR 109 -18.171 -2.761 3.624 703 H GLY 110 H GLY 110 -15.892 -3.669 8.375 704 HA2 GLY 110 HA2 GLY 110 -17.882 -5.666 9.280 705 HA3 GLY 110 HA3 GLY 110 -16.838 -4.643 10.309 706 H TYR 111 H TYR 111 -19.869 -4.939 9.025 707 HA TYR 111 HA TYR 111 -20.501 -2.127 9.701 708 HB3 TYR 111 HB3 TYR 111 -22.234 -3.350 7.615 709 HD1 TYR 111 HD1 TYR 111 -19.675 -0.626 8.045 710 HD2 TYR 111 HD2 TYR 111 -23.780 -1.586 7.176 711 HE1 TYR 111 HE1 TYR 111 -20.154 1.781 7.760 712 HE2 TYR 111 HE2 TYR 111 -24.265 0.808 6.824 713 HH TYR 111 HH TYR 111 -21.807 3.383 7.385 714 H THR 112 H THR 112 -22.790 -1.828 10.288 715 HA THR 112 HA THR 112 -23.951 -4.198 11.649 716 HB THR 112 HB THR 112 -23.498 -1.424 12.843 717 HG1 THR 112 HG1 THR 112 -21.555 -2.070 13.079 718 HG21 THR 112 HG21 THR 112 -23.806 -2.636 15.021 719 HG22 THR 112 HG22 THR 112 -24.340 -4.069 14.110 720 HG23 THR 112 HG23 THR 112 -25.264 -2.533 14.053 721 H LEU 113 H LEU 113 -26.252 -3.524 12.451 722 HA LEU 113 HA LEU 113 -27.832 -2.876 10.225 723 HB3 LEU 113 HB3 LEU 113 -28.645 -4.334 11.960 724 HG LEU 113 HG LEU 113 -28.067 -2.033 13.817 725 HD11 LEU 113 HD11 LEU 113 -30.523 -1.998 13.818 726 HD12 LEU 113 HD12 LEU 113 -29.903 -2.624 15.347 727 HD13 LEU 113 HD13 LEU 113 -30.572 -3.749 14.137 728 HD21 LEU 113 HD21 LEU 113 -26.882 -4.265 13.965 729 HD22 LEU 113 HD22 LEU 113 -28.436 -5.022 14.338 730 HD23 LEU 113 HD23 LEU 113 -27.740 -3.818 15.443 731 H ASP 114 H ASP 114 -26.008 -0.622 11.475 732 HA ASP 114 HA ASP 114 -27.861 1.646 11.833 733 HB3 ASP 114 HB3 ASP 114 -25.617 2.559 12.934 734 H VAL 115 H VAL 115 -27.805 1.863 9.668 735 HA VAL 115 HA VAL 115 -25.480 2.152 7.980 736 HB VAL 115 HB VAL 115 -28.132 3.484 7.351 737 HG11 VAL 115 HG11 VAL 115 -26.128 1.982 5.588 738 HG12 VAL 115 HG12 VAL 115 -27.547 2.915 5.055 739 HG13 VAL 115 HG13 VAL 115 -26.170 3.744 5.762 740 HG21 VAL 115 HG21 VAL 115 -28.877 1.352 6.297 741 HG22 VAL 115 HG22 VAL 115 -27.523 0.516 7.086 742 HG23 VAL 115 HG23 VAL 115 -28.827 1.266 8.055 743 H THR 116 H THR 116 -24.971 3.481 10.265 744 HA THR 116 HA THR 116 -24.519 6.312 9.622 745 HB THR 116 HB THR 116 -25.284 6.580 12.152 746 HG1 THR 116 HG1 THR 116 -26.584 5.091 12.896 747 HG21 THR 116 HG21 THR 116 -26.373 7.726 10.237 748 HG22 THR 116 HG22 THR 116 -27.541 7.210 11.462 749 HG23 THR 116 HG23 THR 116 -27.377 6.291 9.953 750 H THR 117 H THR 117 -22.569 4.836 9.151 751 HA THR 117 HA THR 117 -20.718 4.949 11.392 752 HB THR 117 HB THR 117 -21.301 2.298 9.970 753 HG1 THR 117 HG1 THR 117 -22.453 3.380 12.048 754 HG21 THR 117 HG21 THR 117 -18.891 2.579 10.556 755 HG22 THR 117 HG22 THR 117 -19.673 1.323 11.522 756 HG23 THR 117 HG23 THR 117 -19.358 2.916 12.241 757 H GLY 118 H GLY 118 -18.755 5.536 10.564 758 HA2 GLY 118 HA2 GLY 118 -17.516 5.134 8.121 759 HA3 GLY 118 HA3 GLY 118 -18.629 6.516 7.896 Start of MODEL 16 1 H1 GLY 1 H1 GLY 1 21.128 -14.258 -3.488 2 HA2 GLY 1 HA2 GLY 1 18.714 -14.358 -4.079 3 HA3 GLY 1 HA3 GLY 1 19.243 -12.764 -3.489 4 H SER 2 H SER 2 17.579 -11.755 -4.597 5 HA SER 2 HA SER 2 17.638 -11.413 -7.496 6 HB3 SER 2 HB3 SER 2 16.613 -9.273 -5.702 7 HG SER 2 HG SER 2 14.703 -10.455 -7.107 8 H GLU 3 H GLU 3 18.107 -8.874 -7.989 9 HA GLU 3 HA GLU 3 20.966 -8.492 -7.172 10 HB3 GLU 3 HB3 GLU 3 20.299 -8.983 -9.541 11 HG3 GLU 3 HG3 GLU 3 19.680 -6.042 -9.854 12 H ASN 4 H ASN 4 17.931 -7.080 -6.631 13 HA ASN 4 HA ASN 4 19.027 -4.473 -5.905 14 HB3 ASN 4 HB3 ASN 4 16.479 -5.119 -6.227 15 HD21 ASN 4 HD21 ASN 4 16.688 -7.497 -4.836 16 HD22 ASN 4 HD22 ASN 4 15.918 -7.359 -3.253 17 H PHE 5 H PHE 5 19.778 -7.510 -4.636 18 HA PHE 5 HA PHE 5 19.362 -7.099 -1.850 19 HB3 PHE 5 HB3 PHE 5 21.607 -8.799 -2.994 20 HD1 PHE 5 HD1 PHE 5 21.368 -7.803 0.003 21 HD2 PHE 5 HD2 PHE 5 19.830 -11.244 -2.108 22 HE1 PHE 5 HE1 PHE 5 21.260 -9.064 2.115 23 HE2 PHE 5 HE2 PHE 5 19.767 -12.506 0.015 24 HZ PHE 5 HZ PHE 5 20.459 -11.420 2.132 25 H GLN 6 H GLN 6 22.402 -6.799 -3.752 26 HA GLN 6 HA GLN 6 23.755 -5.524 -1.533 27 HB3 GLN 6 HB3 GLN 6 24.554 -6.172 -4.388 28 HG3 GLN 6 HG3 GLN 6 26.088 -4.419 -3.695 29 HE21 GLN 6 HE21 GLN 6 27.301 -3.268 -2.115 30 HE22 GLN 6 HE22 GLN 6 27.395 -3.815 -0.445 31 H THR 7 H THR 7 21.793 -4.251 -4.168 32 HA THR 7 HA THR 7 23.162 -1.711 -4.255 33 HB THR 7 HB THR 7 21.454 -2.713 -5.943 34 HG1 THR 7 HG1 THR 7 20.805 -0.461 -6.388 35 HG21 THR 7 HG21 THR 7 19.204 -2.055 -5.864 36 HG22 THR 7 HG22 THR 7 19.455 -0.986 -4.456 37 HG23 THR 7 HG23 THR 7 19.490 -2.732 -4.271 38 H LEU 8 H LEU 8 20.572 -3.052 -2.202 39 HA LEU 8 HA LEU 8 19.894 -0.684 -0.808 40 HB3 LEU 8 HB3 LEU 8 19.112 -2.324 0.965 41 HG LEU 8 HG LEU 8 18.466 -3.001 -1.930 42 HD11 LEU 8 HD11 LEU 8 16.639 -4.346 -1.092 43 HD12 LEU 8 HD12 LEU 8 17.047 -3.923 0.581 44 HD13 LEU 8 HD13 LEU 8 18.134 -4.948 -0.411 45 HD21 LEU 8 HD21 LEU 8 16.755 -1.481 0.036 46 HD22 LEU 8 HD22 LEU 8 16.414 -1.858 -1.660 47 HD23 LEU 8 HD23 LEU 8 17.726 -0.766 -1.286 48 H LEU 9 H LEU 9 22.392 -3.106 -0.243 49 HA LEU 9 HA LEU 9 23.453 -2.057 2.228 50 HB3 LEU 9 HB3 LEU 9 25.496 -3.485 1.255 51 HG LEU 9 HG LEU 9 22.954 -4.210 2.622 52 HD11 LEU 9 HD11 LEU 9 22.787 -5.887 0.906 53 HD12 LEU 9 HD12 LEU 9 23.265 -6.654 2.422 54 HD13 LEU 9 HD13 LEU 9 24.466 -6.382 1.134 55 HD21 LEU 9 HD21 LEU 9 25.856 -5.069 3.007 56 HD22 LEU 9 HD22 LEU 9 24.534 -5.367 4.132 57 HD23 LEU 9 HD23 LEU 9 25.047 -3.706 3.808 58 H ASP 10 H ASP 10 23.564 -0.835 -0.895 59 HA ASP 10 HA ASP 10 25.879 0.966 -0.363 60 HB3 ASP 10 HB3 ASP 10 24.762 -0.155 -2.942 61 H ALA 11 H ALA 11 22.863 1.019 0.183 62 HA ALA 11 HA ALA 11 22.268 3.664 -1.023 63 HB1 ALA 11 HB1 ALA 11 20.885 1.903 -2.139 64 HB2 ALA 11 HB2 ALA 11 20.282 1.409 -0.531 65 HB3 ALA 11 HB3 ALA 11 19.897 3.005 -1.165 66 H GLY 12 H GLY 12 23.487 2.776 1.572 67 HA2 GLY 12 HA2 GLY 12 23.462 3.898 3.555 68 HA3 GLY 12 HA3 GLY 12 21.797 4.400 3.301 69 H LEU 13 H LEU 13 21.823 1.048 2.772 70 HA LEU 13 HA LEU 13 20.423 0.857 5.355 71 HB3 LEU 13 HB3 LEU 13 18.987 -0.723 4.305 72 HG LEU 13 HG LEU 13 19.538 1.400 2.176 73 HD11 LEU 13 HD11 LEU 13 18.191 -0.304 1.304 74 HD12 LEU 13 HD12 LEU 13 17.131 1.054 1.643 75 HD13 LEU 13 HD13 LEU 13 17.136 -0.365 2.728 76 HD21 LEU 13 HD21 LEU 13 19.051 2.842 3.862 77 HD22 LEU 13 HD22 LEU 13 18.266 1.620 4.866 78 HD23 LEU 13 HD23 LEU 13 17.386 2.367 3.534 79 HA PRO 14 HA PRO 14 23.221 -2.374 6.621 80 HB3 PRO 14 HB3 PRO 14 22.517 -2.015 8.795 81 HG3 PRO 14 HG3 PRO 14 20.342 -1.344 9.267 82 HD3 PRO 14 HD3 PRO 14 20.622 0.101 7.448 83 H GLN 15 H GLN 15 23.473 -4.675 6.743 84 HA GLN 15 HA GLN 15 22.510 -6.249 4.714 85 HB3 GLN 15 HB3 GLN 15 23.308 -7.370 7.406 86 HG3 GLN 15 HG3 GLN 15 22.732 -8.751 5.137 87 HE21 GLN 15 HE21 GLN 15 23.683 -9.535 3.288 88 HE22 GLN 15 HE22 GLN 15 25.294 -9.167 2.711 89 H LYS 16 H LYS 16 21.266 -6.412 8.108 90 HA LYS 16 HA LYS 16 19.202 -8.211 7.807 91 HB3 LYS 16 HB3 LYS 16 19.424 -7.465 10.008 92 HG3 LYS 16 HG3 LYS 16 19.477 -4.670 8.855 93 HD3 LYS 16 HD3 LYS 16 18.582 -5.422 11.626 94 HE3 LYS 16 HE3 LYS 16 19.267 -3.047 12.241 95 HZ1 LYS 16 HZ1 LYS 16 21.412 -3.662 12.857 96 HZ2 LYS 16 HZ2 LYS 16 21.615 -4.740 11.663 97 HZ3 LYS 16 HZ3 LYS 16 20.572 -5.067 12.882 98 H VAL 17 H VAL 17 19.008 -4.749 6.936 99 HA VAL 17 HA VAL 17 16.165 -4.871 6.474 100 HB VAL 17 HB VAL 17 18.425 -2.910 5.926 101 HG11 VAL 17 HG11 VAL 17 16.806 -1.237 5.341 102 HG12 VAL 17 HG12 VAL 17 16.994 -2.486 4.146 103 HG13 VAL 17 HG13 VAL 17 15.546 -2.498 5.195 104 HG21 VAL 17 HG21 VAL 17 16.086 -2.544 7.803 105 HG22 VAL 17 HG22 VAL 17 17.630 -3.222 8.319 106 HG23 VAL 17 HG23 VAL 17 17.543 -1.582 7.690 107 H ALA 18 H ALA 18 19.136 -5.218 4.468 108 HA ALA 18 HA ALA 18 17.755 -5.312 1.952 109 HB1 ALA 18 HB1 ALA 18 19.883 -6.082 1.060 110 HB2 ALA 18 HB2 ALA 18 20.168 -4.720 2.165 111 HB3 ALA 18 HB3 ALA 18 20.516 -6.381 2.691 112 H GLU 19 H GLU 19 19.043 -7.780 4.138 113 HA GLU 19 HA GLU 19 18.474 -10.190 2.853 114 HB3 GLU 19 HB3 GLU 19 17.914 -11.046 5.205 115 HG3 GLU 19 HG3 GLU 19 20.516 -9.536 4.916 116 H LYS 20 H LYS 20 16.267 -8.214 4.905 117 HA LYS 20 HA LYS 20 14.093 -10.054 4.412 118 HB3 LYS 20 HB3 LYS 20 12.876 -8.151 5.775 119 HG3 LYS 20 HG3 LYS 20 13.632 -10.435 6.574 120 HD3 LYS 20 HD3 LYS 20 15.834 -8.898 8.006 121 HE3 LYS 20 HE3 LYS 20 15.144 -11.846 7.706 122 HZ1 LYS 20 HZ1 LYS 20 16.817 -12.325 9.149 123 HZ2 LYS 20 HZ2 LYS 20 17.014 -10.800 9.691 124 HZ3 LYS 20 HZ3 LYS 20 17.577 -11.214 8.191 125 H LEU 21 H LEU 21 15.263 -7.688 2.348 126 HA LEU 21 HA LEU 21 12.543 -7.119 1.256 127 HB3 LEU 21 HB3 LEU 21 15.199 -5.747 0.718 128 HG LEU 21 HG LEU 21 13.869 -5.436 -1.232 129 HD11 LEU 21 HD11 LEU 21 11.540 -4.499 -1.168 130 HD12 LEU 21 HD12 LEU 21 11.521 -4.726 0.584 131 HD13 LEU 21 HD13 LEU 21 11.615 -6.119 -0.512 132 HD21 LEU 21 HD21 LEU 21 13.409 -3.025 -1.177 133 HD22 LEU 21 HD22 LEU 21 14.869 -3.354 -0.258 134 HD23 LEU 21 HD23 LEU 21 13.342 -3.040 0.590 135 H ASP 22 H ASP 22 15.750 -8.471 0.484 136 HA ASP 22 HA ASP 22 15.672 -9.002 -2.193 137 HB3 ASP 22 HB3 ASP 22 16.469 -10.733 0.161 138 H GLU 23 H GLU 23 13.984 -10.829 0.283 139 HA GLU 23 HA GLU 23 12.967 -13.005 -1.039 140 HB3 GLU 23 HB3 GLU 23 11.496 -11.463 1.135 141 HG3 GLU 23 HG3 GLU 23 12.363 -14.357 0.830 142 H ILE 24 H ILE 24 11.773 -9.719 -1.107 143 HA ILE 24 HA ILE 24 9.056 -10.435 -1.909 144 HB ILE 24 HB ILE 24 10.488 -7.757 -1.626 145 HG13 ILE 24 HG13 ILE 24 10.470 -8.942 0.499 146 HG21 ILE 24 HG21 ILE 24 8.475 -7.659 -3.087 147 HG22 ILE 24 HG22 ILE 24 7.491 -8.250 -1.730 148 HG23 ILE 24 HG23 ILE 24 8.337 -6.691 -1.636 149 HD11 ILE 24 HD11 ILE 24 9.695 -6.584 0.699 150 HD12 ILE 24 HD12 ILE 24 8.017 -7.206 0.714 151 HD13 ILE 24 HD13 ILE 24 9.158 -7.699 1.981 152 H TYR 25 H TYR 25 12.022 -9.157 -3.303 153 HA TYR 25 HA TYR 25 11.015 -9.078 -6.060 154 HB3 TYR 25 HB3 TYR 25 13.386 -8.526 -6.598 155 HD1 TYR 25 HD1 TYR 25 11.612 -6.785 -7.216 156 HD2 TYR 25 HD2 TYR 25 13.563 -6.962 -3.383 157 HE1 TYR 25 HE1 TYR 25 10.995 -4.393 -6.794 158 HE2 TYR 25 HE2 TYR 25 13.055 -4.541 -3.037 159 HH TYR 25 HH TYR 25 11.627 -2.451 -5.449 160 H VAL 26 H VAL 26 11.120 -11.677 -4.406 161 HA VAL 26 HA VAL 26 12.355 -13.332 -6.552 162 HB VAL 26 HB VAL 26 12.580 -13.696 -3.541 163 HG11 VAL 26 HG11 VAL 26 13.740 -15.822 -3.963 164 HG12 VAL 26 HG12 VAL 26 12.065 -15.911 -4.504 165 HG13 VAL 26 HG13 VAL 26 13.369 -15.706 -5.694 166 HG21 VAL 26 HG21 VAL 26 14.740 -13.603 -5.701 167 HG22 VAL 26 HG22 VAL 26 14.288 -12.230 -4.680 168 HG23 VAL 26 HG23 VAL 26 14.978 -13.668 -3.938 169 H ALA 27 H ALA 27 9.898 -13.139 -3.890 170 HA ALA 27 HA ALA 27 8.567 -15.504 -4.679 171 HB1 ALA 27 HB1 ALA 27 6.846 -14.725 -3.093 172 HB2 ALA 27 HB2 ALA 27 8.481 -14.521 -2.449 173 HB3 ALA 27 HB3 ALA 27 7.592 -13.110 -3.066 174 H GLY 28 H GLY 28 8.554 -12.621 -6.520 175 HA2 GLY 28 HA2 GLY 28 7.126 -11.844 -8.147 176 HA3 GLY 28 HA3 GLY 28 6.098 -13.264 -7.931 177 H LEU 29 H LEU 29 6.899 -11.382 -5.076 178 HA LEU 29 HA LEU 29 4.128 -10.690 -4.569 179 HB3 LEU 29 HB3 LEU 29 5.371 -9.075 -2.868 180 HG LEU 29 HG LEU 29 5.414 -12.104 -2.674 181 HD11 LEU 29 HD11 LEU 29 7.215 -11.407 -1.273 182 HD12 LEU 29 HD12 LEU 29 5.840 -11.635 -0.197 183 HD13 LEU 29 HD13 LEU 29 6.319 -9.994 -0.673 184 HD21 LEU 29 HD21 LEU 29 3.729 -10.005 -1.225 185 HD22 LEU 29 HD22 LEU 29 3.585 -11.760 -1.082 186 HD23 LEU 29 HD23 LEU 29 3.165 -10.978 -2.604 187 H VAL 30 H VAL 30 6.838 -9.172 -6.270 188 HA VAL 30 HA VAL 30 5.147 -6.808 -6.741 189 HB VAL 30 HB VAL 30 7.041 -5.436 -6.546 190 HG11 VAL 30 HG11 VAL 30 5.495 -5.554 -4.675 191 HG12 VAL 30 HG12 VAL 30 6.418 -6.891 -3.956 192 HG13 VAL 30 HG13 VAL 30 7.151 -5.285 -4.111 193 HG21 VAL 30 HG21 VAL 30 8.935 -6.925 -6.855 194 HG22 VAL 30 HG22 VAL 30 9.092 -6.118 -5.295 195 HG23 VAL 30 HG23 VAL 30 8.544 -7.808 -5.366 196 H ALA 31 H ALA 31 6.935 -5.277 -8.265 197 HA ALA 31 HA ALA 31 6.865 -6.891 -10.655 198 HB1 ALA 31 HB1 ALA 31 5.981 -5.047 -11.925 199 HB2 ALA 31 HB2 ALA 31 4.947 -5.198 -10.483 200 HB3 ALA 31 HB3 ALA 31 6.215 -3.933 -10.576 201 H HIS 32 H HIS 32 9.030 -5.727 -8.723 202 HA HIS 32 HA HIS 32 11.115 -5.230 -8.827 203 HB3 HIS 32 HB3 HIS 32 12.303 -6.482 -10.114 204 HD1 HIS 32 HD1 HIS 32 10.302 -8.497 -10.485 205 HD2 HIS 32 HD2 HIS 32 11.142 -5.781 -13.586 206 HE1 HIS 32 HE1 HIS 32 9.258 -9.492 -12.583 207 H SER 33 H SER 33 10.198 -3.587 -11.898 208 HA SER 33 HA SER 33 10.945 -1.033 -10.676 209 HB3 SER 33 HB3 SER 33 10.329 -0.076 -12.834 210 HG SER 33 HG SER 33 11.832 -1.153 -14.043 211 H ASP 34 H ASP 34 8.933 -2.428 -9.230 212 HA ASP 34 HA ASP 34 6.335 -1.175 -9.612 213 HB3 ASP 34 HB3 ASP 34 6.135 -3.173 -8.414 214 H LEU 35 H LEU 35 8.727 -0.864 -6.861 215 HA LEU 35 HA LEU 35 7.480 1.397 -5.957 216 HB3 LEU 35 HB3 LEU 35 10.088 1.308 -4.883 217 HG LEU 35 HG LEU 35 7.863 1.503 -3.806 218 HD11 LEU 35 HD11 LEU 35 6.646 -0.397 -2.961 219 HD12 LEU 35 HD12 LEU 35 7.743 -1.498 -3.791 220 HD13 LEU 35 HD13 LEU 35 6.688 -0.446 -4.737 221 HD21 LEU 35 HD21 LEU 35 9.922 1.274 -2.503 222 HD22 LEU 35 HD22 LEU 35 9.822 -0.496 -2.609 223 HD23 LEU 35 HD23 LEU 35 8.610 0.407 -1.685 224 H ASP 36 H ASP 36 7.566 3.456 -6.422 225 HA ASP 36 HA ASP 36 9.233 4.584 -8.455 226 HB3 ASP 36 HB3 ASP 36 8.350 6.744 -7.685 227 H GLU 37 H GLU 37 10.767 6.413 -8.040 228 HA GLU 37 HA GLU 37 12.760 6.126 -6.105 229 HB3 GLU 37 HB3 GLU 37 11.767 8.664 -7.476 230 HG3 GLU 37 HG3 GLU 37 14.425 7.852 -6.224 231 H ARG 38 H ARG 38 9.660 7.723 -5.997 232 HA ARG 38 HA ARG 38 9.908 9.247 -3.660 233 HB3 ARG 38 HB3 ARG 38 7.409 9.096 -3.546 234 HG3 ARG 38 HG3 ARG 38 8.753 9.800 -6.119 235 HD3 ARG 38 HD3 ARG 38 5.911 8.790 -5.910 236 HE ARG 38 HE ARG 38 6.048 11.255 -6.766 237 HH11 ARG 38 HH11 ARG 38 5.406 8.148 -8.400 238 HH12 ARG 38 HH12 ARG 38 4.303 8.863 -9.526 239 HH21 ARG 38 HH21 ARG 38 4.637 12.162 -8.263 240 HH22 ARG 38 HH22 ARG 38 3.660 11.129 -9.252 241 H ALA 39 H ALA 39 9.043 5.770 -3.944 242 HA ALA 39 HA ALA 39 8.583 5.663 -1.001 243 HB1 ALA 39 HB1 ALA 39 6.965 4.382 -2.252 244 HB2 ALA 39 HB2 ALA 39 8.260 3.553 -3.158 245 HB3 ALA 39 HB3 ALA 39 8.020 3.247 -1.421 246 H ILE 40 H ILE 40 10.977 4.834 -3.472 247 HA ILE 40 HA ILE 40 12.704 3.207 -1.876 248 HB ILE 40 HB ILE 40 13.070 4.939 -4.325 249 HG13 ILE 40 HG13 ILE 40 13.240 2.875 -5.551 250 HG21 ILE 40 HG21 ILE 40 15.253 5.019 -3.392 251 HG22 ILE 40 HG22 ILE 40 15.227 3.290 -3.009 252 HG23 ILE 40 HG23 ILE 40 15.281 3.835 -4.697 253 HD11 ILE 40 HD11 ILE 40 12.683 1.326 -2.980 254 HD12 ILE 40 HD12 ILE 40 12.760 0.677 -4.623 255 HD13 ILE 40 HD13 ILE 40 14.227 1.314 -3.868 256 H GLU 41 H GLU 41 12.587 6.758 -2.412 257 HA GLU 41 HA GLU 41 14.722 7.591 -0.793 258 HB3 GLU 41 HB3 GLU 41 12.859 9.543 -0.419 259 HG3 GLU 41 HG3 GLU 41 13.276 10.248 -2.908 260 H ALA 42 H ALA 42 11.269 7.214 0.185 261 HA ALA 42 HA ALA 42 11.992 7.853 2.922 262 HB1 ALA 42 HB1 ALA 42 9.471 6.601 1.775 263 HB2 ALA 42 HB2 ALA 42 9.657 7.225 3.441 264 HB3 ALA 42 HB3 ALA 42 9.764 8.325 2.054 265 H LEU 43 H LEU 43 12.050 4.890 1.094 266 HA LEU 43 HA LEU 43 12.416 3.191 3.443 267 HB3 LEU 43 HB3 LEU 43 13.041 1.510 1.536 268 HG LEU 43 HG LEU 43 10.205 2.564 1.636 269 HD11 LEU 43 HD11 LEU 43 11.326 -0.128 0.740 270 HD12 LEU 43 HD12 LEU 43 10.824 1.184 -0.350 271 HD13 LEU 43 HD13 LEU 43 9.633 0.395 0.690 272 HD21 LEU 43 HD21 LEU 43 11.601 0.368 3.238 273 HD22 LEU 43 HD22 LEU 43 9.844 0.566 3.149 274 HD23 LEU 43 HD23 LEU 43 10.821 1.832 3.887 275 H LYS 44 H LYS 44 14.401 5.531 2.246 276 HA LYS 44 HA LYS 44 16.898 4.013 2.425 277 HB3 LYS 44 HB3 LYS 44 16.464 7.002 2.139 278 HG3 LYS 44 HG3 LYS 44 18.802 5.176 2.049 279 HD3 LYS 44 HD3 LYS 44 18.510 5.812 -0.333 280 HE3 LYS 44 HE3 LYS 44 19.302 8.638 0.110 281 HZ1 LYS 44 HZ1 LYS 44 17.313 8.893 -1.380 282 HZ2 LYS 44 HZ2 LYS 44 17.248 7.276 -1.526 283 HZ3 LYS 44 HZ3 LYS 44 18.581 8.117 -2.054 284 H GLU 45 H GLU 45 14.717 5.805 4.481 285 HA GLU 45 HA GLU 45 16.835 6.120 6.578 286 HB3 GLU 45 HB3 GLU 45 16.022 8.302 7.041 287 HG3 GLU 45 HG3 GLU 45 15.966 8.302 4.016 288 H PHE 46 H PHE 46 16.183 4.279 7.774 289 HA PHE 46 HA PHE 46 13.933 4.795 9.554 290 HB3 PHE 46 HB3 PHE 46 12.725 3.262 8.342 291 HD1 PHE 46 HD1 PHE 46 16.103 1.556 8.542 292 HD2 PHE 46 HD2 PHE 46 12.544 2.390 6.213 293 HE1 PHE 46 HE1 PHE 46 17.184 0.631 6.572 294 HE2 PHE 46 HE2 PHE 46 13.596 1.274 4.266 295 HZ PHE 46 HZ PHE 46 15.973 0.543 4.402 296 H ASN 47 H ASN 47 14.092 3.211 11.345 297 HA ASN 47 HA ASN 47 16.759 2.922 12.507 298 HB3 ASN 47 HB3 ASN 47 14.975 3.736 13.927 299 HD21 ASN 47 HD21 ASN 47 13.571 1.193 15.369 300 HD22 ASN 47 HD22 ASN 47 12.080 1.113 14.469 301 H GLU 48 H GLU 48 16.912 0.724 13.792 302 HA GLU 48 HA GLU 48 17.350 -1.393 11.980 303 HB3 GLU 48 HB3 GLU 48 17.104 -1.216 15.000 304 HG3 GLU 48 HG3 GLU 48 17.554 -3.592 13.208 305 H ASP 49 H ASP 49 14.486 -0.611 13.926 306 HA ASP 49 HA ASP 49 13.297 -3.255 13.335 307 HB3 ASP 49 HB3 ASP 49 12.037 -0.956 14.753 308 H GLY 50 H GLY 50 13.422 -0.163 11.864 309 HA2 GLY 50 HA2 GLY 50 10.677 0.165 11.483 310 HA3 GLY 50 HA3 GLY 50 11.916 1.124 10.658 311 H ALA 51 H ALA 51 13.174 -0.493 9.034 312 HA ALA 51 HA ALA 51 11.406 -0.942 6.858 313 HB1 ALA 51 HB1 ALA 51 13.331 -1.630 5.702 314 HB2 ALA 51 HB2 ALA 51 14.021 -0.622 6.992 315 HB3 ALA 51 HB3 ALA 51 14.063 -2.377 7.126 316 H LEU 52 H LEU 52 12.710 -3.053 9.345 317 HA LEU 52 HA LEU 52 11.816 -5.563 8.375 318 HB3 LEU 52 HB3 LEU 52 12.288 -6.239 10.796 319 HG LEU 52 HG LEU 52 14.684 -5.735 10.949 320 HD11 LEU 52 HD11 LEU 52 14.038 -7.645 9.639 321 HD12 LEU 52 HD12 LEU 52 15.439 -6.841 8.905 322 HD13 LEU 52 HD13 LEU 52 13.826 -6.630 8.199 323 HD21 LEU 52 HD21 LEU 52 15.932 -4.448 9.524 324 HD22 LEU 52 HD22 LEU 52 14.567 -3.412 9.936 325 HD23 LEU 52 HD23 LEU 52 14.608 -4.239 8.361 326 H ALA 53 H ALA 53 10.020 -3.034 9.831 327 HA ALA 53 HA ALA 53 7.878 -4.897 10.753 328 HB1 ALA 53 HB1 ALA 53 8.244 -1.902 11.183 329 HB2 ALA 53 HB2 ALA 53 6.953 -2.916 11.865 330 HB3 ALA 53 HB3 ALA 53 8.633 -3.179 12.356 331 H VAL 54 H VAL 54 8.727 -2.521 8.312 332 HA VAL 54 HA VAL 54 5.941 -2.171 7.470 333 HB VAL 54 HB VAL 54 8.643 -1.110 6.466 334 HG11 VAL 54 HG11 VAL 54 7.471 0.509 5.043 335 HG12 VAL 54 HG12 VAL 54 7.146 -1.134 4.492 336 HG13 VAL 54 HG13 VAL 54 5.914 -0.251 5.416 337 HG21 VAL 54 HG21 VAL 54 7.791 -0.185 8.624 338 HG22 VAL 54 HG22 VAL 54 7.913 1.031 7.352 339 HG23 VAL 54 HG23 VAL 54 6.327 0.352 7.790 340 H LEU 55 H LEU 55 8.949 -3.529 6.122 341 HA LEU 55 HA LEU 55 7.749 -4.378 3.667 342 HB3 LEU 55 HB3 LEU 55 9.868 -5.768 3.549 343 HG LEU 55 HG LEU 55 10.284 -2.823 4.268 344 HD11 LEU 55 HD11 LEU 55 12.380 -3.899 4.293 345 HD12 LEU 55 HD12 LEU 55 12.281 -3.125 2.720 346 HD13 LEU 55 HD13 LEU 55 12.004 -4.884 2.864 347 HD21 LEU 55 HD21 LEU 55 10.244 -2.508 1.754 348 HD22 LEU 55 HD22 LEU 55 8.686 -2.886 2.480 349 HD23 LEU 55 HD23 LEU 55 9.581 -4.149 1.618 350 H GLN 56 H GLN 56 7.902 -5.838 6.884 351 HA GLN 56 HA GLN 56 7.107 -8.414 6.075 352 HB3 GLN 56 HB3 GLN 56 5.810 -7.926 8.555 353 HG3 GLN 56 HG3 GLN 56 7.616 -9.248 9.502 354 HE21 GLN 56 HE21 GLN 56 5.162 -9.746 7.727 355 HE22 GLN 56 HE22 GLN 56 5.470 -11.229 6.925 356 H GLN 57 H GLN 57 4.956 -5.679 7.082 357 HA GLN 57 HA GLN 57 2.569 -7.088 6.361 358 HB3 GLN 57 HB3 GLN 57 1.482 -4.879 6.249 359 HG3 GLN 57 HG3 GLN 57 3.359 -4.840 8.638 360 HE21 GLN 57 HE21 GLN 57 2.660 -3.107 9.973 361 HE22 GLN 57 HE22 GLN 57 1.038 -2.425 9.860 362 H PHE 58 H PHE 58 4.899 -5.319 4.406 363 HA PHE 58 HA PHE 58 3.297 -5.016 2.074 364 HB3 PHE 58 HB3 PHE 58 6.242 -5.631 1.897 365 HD1 PHE 58 HD1 PHE 58 3.480 -3.194 0.899 366 HD2 PHE 58 HD2 PHE 58 7.210 -5.118 -0.169 367 HE1 PHE 58 HE1 PHE 58 3.412 -2.141 -1.325 368 HE2 PHE 58 HE2 PHE 58 7.120 -4.014 -2.372 369 HZ PHE 58 HZ PHE 58 5.234 -2.509 -2.949 370 H LYS 59 H LYS 59 5.329 -7.733 3.174 371 HA LYS 59 HA LYS 59 4.972 -9.496 0.964 372 HB3 LYS 59 HB3 LYS 59 5.448 -11.285 2.630 373 HG3 LYS 59 HG3 LYS 59 7.186 -8.821 2.719 374 HD3 LYS 59 HD3 LYS 59 7.493 -10.191 4.812 375 HE3 LYS 59 HE3 LYS 59 8.381 -12.273 2.770 376 HZ1 LYS 59 HZ1 LYS 59 8.490 -12.260 5.728 377 HZ2 LYS 59 HZ2 LYS 59 9.687 -12.659 4.610 378 HZ3 LYS 59 HZ3 LYS 59 8.421 -13.646 4.839 379 H ASP 60 H ASP 60 2.686 -8.405 3.205 380 HA ASP 60 HA ASP 60 0.979 -10.827 3.017 381 HB3 ASP 60 HB3 ASP 60 1.056 -8.840 5.302 382 H SER 61 H SER 61 1.094 -7.990 1.586 383 HA SER 61 HA SER 61 -1.614 -6.980 2.130 384 HB3 SER 61 HB3 SER 61 -0.918 -5.076 1.231 385 HG SER 61 HG SER 61 1.582 -6.387 0.804 386 H ASP 62 H ASP 62 -3.083 -6.588 0.230 387 HA ASP 62 HA ASP 62 -3.441 -8.985 -1.414 388 HB3 ASP 62 HB3 ASP 62 -4.963 -6.365 -1.150 389 H LEU 63 H LEU 63 -1.279 -8.645 -2.290 390 HA LEU 63 HA LEU 63 -0.944 -6.492 -4.301 391 HB3 LEU 63 HB3 LEU 63 1.317 -7.417 -4.545 392 HG LEU 63 HG LEU 63 0.601 -7.236 -1.576 393 HD11 LEU 63 HD11 LEU 63 3.135 -6.745 -3.145 394 HD12 LEU 63 HD12 LEU 63 2.808 -8.062 -1.973 395 HD13 LEU 63 HD13 LEU 63 2.891 -6.370 -1.421 396 HD21 LEU 63 HD21 LEU 63 1.224 -4.843 -1.761 397 HD22 LEU 63 HD22 LEU 63 -0.178 -5.203 -2.770 398 HD23 LEU 63 HD23 LEU 63 1.475 -5.074 -3.508 399 H SER 64 H SER 64 -3.096 -7.735 -5.064 400 HA SER 64 HA SER 64 -2.394 -9.968 -6.870 401 HB3 SER 64 HB3 SER 64 -4.911 -9.954 -7.187 402 HG SER 64 HG SER 64 -3.703 -10.350 -4.609 403 H HIS 65 H HIS 65 -4.223 -6.821 -7.331 404 HA HIS 65 HA HIS 65 -3.063 -6.757 -10.085 405 HB3 HIS 65 HB3 HIS 65 -5.100 -7.899 -10.319 406 HD1 HIS 65 HD1 HIS 65 -7.176 -4.736 -9.731 407 HD2 HIS 65 HD2 HIS 65 -6.484 -8.587 -8.150 408 HE1 HIS 65 HE1 HIS 65 -9.092 -5.217 -8.107 409 H VAL 66 H VAL 66 -2.341 -5.188 -7.765 410 HA VAL 66 HA VAL 66 -3.436 -2.510 -8.087 411 HB VAL 66 HB VAL 66 -0.886 -3.469 -6.715 412 HG11 VAL 66 HG11 VAL 66 -1.371 -1.421 -5.198 413 HG12 VAL 66 HG12 VAL 66 -0.844 -1.098 -6.833 414 HG13 VAL 66 HG13 VAL 66 -2.564 -0.935 -6.402 415 HG21 VAL 66 HG21 VAL 66 -2.721 -4.728 -5.743 416 HG22 VAL 66 HG22 VAL 66 -2.243 -3.472 -4.618 417 HG23 VAL 66 HG23 VAL 66 -3.687 -3.220 -5.612 418 H GLN 67 H GLN 67 -2.649 -0.862 -9.330 419 HA GLN 67 HA GLN 67 -0.459 -1.342 -11.225 420 HB3 GLN 67 HB3 GLN 67 -0.864 1.274 -11.471 421 HG3 GLN 67 HG3 GLN 67 -2.754 -0.878 -12.459 422 HE21 GLN 67 HE21 GLN 67 -4.425 -0.193 -13.659 423 HE22 GLN 67 HE22 GLN 67 -4.678 1.406 -14.328 424 H ASN 68 H ASN 68 -1.105 0.482 -8.198 425 HA ASN 68 HA ASN 68 1.698 1.563 -8.394 426 HB3 ASN 68 HB3 ASN 68 -0.610 2.637 -6.773 427 HD21 ASN 68 HD21 ASN 68 -0.001 5.240 -6.946 428 HD22 ASN 68 HD22 ASN 68 1.553 5.578 -6.198 429 H LYS 69 H LYS 69 2.456 -0.516 -7.668 430 HA LYS 69 HA LYS 69 1.754 -1.592 -5.142 431 HB3 LYS 69 HB3 LYS 69 4.336 -2.479 -5.487 432 HG3 LYS 69 HG3 LYS 69 1.704 -3.366 -6.705 433 HD3 LYS 69 HD3 LYS 69 4.375 -4.754 -7.007 434 HE3 LYS 69 HE3 LYS 69 1.519 -5.767 -6.996 435 HZ1 LYS 69 HZ1 LYS 69 2.203 -6.509 -9.079 436 HZ2 LYS 69 HZ2 LYS 69 2.303 -7.772 -8.074 437 HZ3 LYS 69 HZ3 LYS 69 3.677 -7.075 -8.561 438 H SER 70 H SER 70 3.878 1.176 -5.833 439 HA SER 70 HA SER 70 4.962 1.135 -3.174 440 HB3 SER 70 HB3 SER 70 5.797 2.272 -5.236 441 HG SER 70 HG SER 70 3.898 3.551 -5.669 442 H ALA 71 H ALA 71 2.007 2.373 -4.505 443 HA ALA 71 HA ALA 71 1.229 4.109 -2.361 444 HB1 ALA 71 HB1 ALA 71 -0.145 3.963 -4.402 445 HB2 ALA 71 HB2 ALA 71 -0.648 2.310 -3.962 446 HB3 ALA 71 HB3 ALA 71 -1.111 3.679 -2.954 447 H PHE 72 H PHE 72 0.874 0.553 -2.662 448 HA PHE 72 HA PHE 72 -0.448 0.237 -0.148 449 HB3 PHE 72 HB3 PHE 72 1.213 -2.068 -0.847 450 HD1 PHE 72 HD1 PHE 72 -0.803 -1.619 1.377 451 HD2 PHE 72 HD2 PHE 72 -1.312 -3.064 -2.640 452 HE1 PHE 72 HE1 PHE 72 -2.893 -2.773 2.020 453 HE2 PHE 72 HE2 PHE 72 -3.227 -4.399 -1.948 454 HZ PHE 72 HZ PHE 72 -4.108 -4.186 0.384 455 H LEU 73 H LEU 73 3.071 0.476 -1.053 456 HA LEU 73 HA LEU 73 4.078 -0.322 1.493 457 HB3 LEU 73 HB3 LEU 73 5.322 1.564 -0.552 458 HG LEU 73 HG LEU 73 7.350 0.942 0.092 459 HD11 LEU 73 HD11 LEU 73 7.753 1.116 2.329 460 HD12 LEU 73 HD12 LEU 73 6.109 0.560 2.745 461 HD13 LEU 73 HD13 LEU 73 6.355 2.104 1.862 462 HD21 LEU 73 HD21 LEU 73 7.059 -1.498 -0.205 463 HD22 LEU 73 HD22 LEU 73 6.309 -1.595 1.402 464 HD23 LEU 73 HD23 LEU 73 8.015 -1.121 1.234 465 H CYS 74 H CYS 74 3.475 2.826 -0.069 466 HA CYS 74 HA CYS 74 4.474 4.564 1.802 467 HB3 CYS 74 HB3 CYS 74 2.011 5.040 0.079 468 HG CYS 74 HG CYS 74 4.574 6.913 1.070 469 H GLY 75 H GLY 75 1.340 3.058 1.705 470 HA2 GLY 75 HA2 GLY 75 0.035 4.424 3.867 471 HA3 GLY 75 HA3 GLY 75 -0.409 2.850 3.202 472 H VAL 76 H VAL 76 1.894 1.271 3.743 473 HA VAL 76 HA VAL 76 1.468 0.789 6.562 474 HB VAL 76 HB VAL 76 3.636 -0.274 4.745 475 HG11 VAL 76 HG11 VAL 76 3.911 -2.059 6.407 476 HG12 VAL 76 HG12 VAL 76 4.184 -0.507 7.188 477 HG13 VAL 76 HG13 VAL 76 2.643 -1.347 7.431 478 HG21 VAL 76 HG21 VAL 76 1.418 -0.998 3.936 479 HG22 VAL 76 HG22 VAL 76 2.258 -2.358 4.683 480 HG23 VAL 76 HG23 VAL 76 0.978 -1.529 5.572 481 H MET 77 H MET 77 4.341 2.182 4.642 482 HA MET 77 HA MET 77 5.750 2.667 7.000 483 HB3 MET 77 HB3 MET 77 6.706 2.813 4.727 484 HG3 MET 77 HG3 MET 77 5.458 5.583 4.887 485 HE1 MET 77 HE1 MET 77 8.870 4.472 1.957 486 HE2 MET 77 HE2 MET 77 8.092 3.340 3.058 487 HE3 MET 77 HE3 MET 77 7.182 3.964 1.648 488 H LYS 78 H LYS 78 2.833 4.369 6.085 489 HA LYS 78 HA LYS 78 3.585 6.608 7.870 490 HB3 LYS 78 HB3 LYS 78 2.754 6.963 5.530 491 HG3 LYS 78 HG3 LYS 78 -0.021 7.096 6.737 492 HD3 LYS 78 HD3 LYS 78 1.174 7.218 3.926 493 HE3 LYS 78 HE3 LYS 78 -1.262 6.478 4.000 494 HZ1 LYS 78 HZ1 LYS 78 -2.347 7.857 5.472 495 HZ2 LYS 78 HZ2 LYS 78 -2.691 8.565 4.050 496 HZ3 LYS 78 HZ3 LYS 78 -1.564 9.240 5.029 497 H THR 79 H THR 79 1.137 3.950 7.682 498 HA THR 79 HA THR 79 -0.034 4.602 10.228 499 HB THR 79 HB THR 79 0.190 1.989 8.676 500 HG1 THR 79 HG1 THR 79 -2.212 3.235 8.991 501 HG21 THR 79 HG21 THR 79 -1.455 2.704 11.153 502 HG22 THR 79 HG22 THR 79 -0.266 1.414 10.998 503 HG23 THR 79 HG23 THR 79 -1.790 1.303 10.107 504 H TYR 80 H TYR 80 2.715 2.299 9.409 505 HA TYR 80 HA TYR 80 2.634 1.202 11.954 506 HB3 TYR 80 HB3 TYR 80 3.924 0.446 9.795 507 HD1 TYR 80 HD1 TYR 80 5.070 2.814 9.054 508 HD2 TYR 80 HD2 TYR 80 6.726 0.181 12.036 509 HE1 TYR 80 HE1 TYR 80 7.341 3.680 8.545 510 HE2 TYR 80 HE2 TYR 80 8.924 0.990 11.533 511 HH TYR 80 HH TYR 80 10.001 3.171 10.535 512 H ARG 81 H ARG 81 4.183 4.204 11.064 513 HA ARG 81 HA ARG 81 6.041 4.479 13.211 514 HB3 ARG 81 HB3 ARG 81 5.843 6.923 12.776 515 HG3 ARG 81 HG3 ARG 81 6.027 5.167 10.301 516 HD3 ARG 81 HD3 ARG 81 7.161 7.960 10.687 517 HE ARG 81 HE ARG 81 6.720 6.444 8.161 518 HH11 ARG 81 HH11 ARG 81 9.145 7.763 10.443 519 HH12 ARG 81 HH12 ARG 81 10.444 7.676 9.329 520 HH21 ARG 81 HH21 ARG 81 8.461 6.487 6.606 521 HH22 ARG 81 HH22 ARG 81 10.036 6.964 7.102 522 H GLN 82 H GLN 82 2.536 4.612 13.244 523 HA GLN 82 HA GLN 82 2.147 6.212 15.464 524 HB3 GLN 82 HB3 GLN 82 0.514 5.254 13.851 525 HG3 GLN 82 HG3 GLN 82 0.340 2.993 15.839 526 HE21 GLN 82 HE21 GLN 82 -0.874 1.096 14.468 527 HE22 GLN 82 HE22 GLN 82 -2.362 1.603 13.703 528 H ARG 83 H ARG 83 3.642 3.081 15.479 529 HA ARG 83 HA ARG 83 3.192 2.770 18.386 530 HB3 ARG 83 HB3 ARG 83 4.868 0.945 18.243 531 HG3 ARG 83 HG3 ARG 83 2.204 0.887 17.480 532 HD3 ARG 83 HD3 ARG 83 2.934 0.746 15.022 533 HE ARG 83 HE ARG 83 4.746 -1.135 15.922 534 HH11 ARG 83 HH11 ARG 83 2.017 -1.491 13.625 535 HH12 ARG 83 HH12 ARG 83 2.774 -2.841 12.828 536 HH21 ARG 83 HH21 ARG 83 5.557 -2.952 14.973 537 HH22 ARG 83 HH22 ARG 83 4.597 -3.866 13.834 538 H GLU 84 H GLU 84 6.154 3.548 16.363 539 HA GLU 84 HA GLU 84 7.554 4.379 18.675 540 HB3 GLU 84 HB3 GLU 84 8.542 3.571 16.551 541 HG3 GLU 84 HG3 GLU 84 7.368 5.418 15.072 542 H LYS 85 H LYS 85 5.417 6.298 16.624 543 HA LYS 85 HA LYS 85 5.500 8.381 18.676 544 HB3 LYS 85 HB3 LYS 85 5.991 9.077 15.760 545 HG3 LYS 85 HG3 LYS 85 5.746 10.700 18.327 546 HD3 LYS 85 HD3 LYS 85 6.561 11.741 15.589 547 HE3 LYS 85 HE3 LYS 85 5.998 13.026 18.299 548 HZ1 LYS 85 HZ1 LYS 85 7.901 14.096 17.262 549 HZ2 LYS 85 HZ2 LYS 85 6.600 15.074 17.277 550 HZ3 LYS 85 HZ3 LYS 85 7.078 14.317 15.863 551 H GLN 86 H GLN 86 3.418 8.081 19.260 552 HA GLN 86 HA GLN 86 1.179 7.870 17.415 553 HB3 GLN 86 HB3 GLN 86 -0.118 8.535 19.515 554 HG3 GLN 86 HG3 GLN 86 1.815 6.191 19.621 555 HE21 GLN 86 HE21 GLN 86 2.244 6.110 21.795 556 HE22 GLN 86 HE22 GLN 86 1.029 5.596 22.941 557 H GLY 87 H GLY 87 0.341 9.545 16.253 558 HA2 GLY 87 HA2 GLY 87 -0.256 12.065 17.173 559 HA3 GLY 87 HA3 GLY 87 1.399 12.249 16.561 560 H THR 88 H THR 88 0.076 9.905 14.678 561 HA THR 88 HA THR 88 -0.964 11.739 12.568 562 HB THR 88 HB THR 88 0.699 9.249 12.467 563 HG1 THR 88 HG1 THR 88 1.828 11.242 12.975 564 HG21 THR 88 HG21 THR 88 -0.195 10.958 10.109 565 HG22 THR 88 HG22 THR 88 -0.778 9.319 10.483 566 HG23 THR 88 HG23 THR 88 0.908 9.555 10.031 567 H LYS 89 H LYS 89 -3.089 11.308 12.466 568 HA LYS 89 HA LYS 89 -4.199 8.743 13.382 569 HB3 LYS 89 HB3 LYS 89 -6.378 9.610 12.771 570 HG3 LYS 89 HG3 LYS 89 -4.784 11.926 13.908 571 HD3 LYS 89 HD3 LYS 89 -7.337 12.149 13.322 572 HE3 LYS 89 HE3 LYS 89 -7.269 10.482 15.874 573 HZ1 LYS 89 HZ1 LYS 89 -8.458 12.477 16.345 574 HZ2 LYS 89 HZ2 LYS 89 -9.498 11.229 16.280 575 HZ3 LYS 89 HZ3 LYS 89 -9.435 12.296 15.022 576 H VAL 90 H VAL 90 -5.243 7.202 11.955 577 HA VAL 90 HA VAL 90 -4.973 7.618 9.082 578 HB VAL 90 HB VAL 90 -4.344 5.226 8.892 579 HG11 VAL 90 HG11 VAL 90 -2.278 7.040 10.212 580 HG12 VAL 90 HG12 VAL 90 -1.920 5.673 9.155 581 HG13 VAL 90 HG13 VAL 90 -2.736 7.103 8.526 582 HG21 VAL 90 HG21 VAL 90 -3.568 5.444 11.821 583 HG22 VAL 90 HG22 VAL 90 -4.732 4.308 11.109 584 HG23 VAL 90 HG23 VAL 90 -3.029 4.175 10.717 585 H ALA 91 H ALA 91 -7.031 8.228 9.070 586 HA ALA 91 HA ALA 91 -9.105 6.186 9.684 587 HB1 ALA 91 HB1 ALA 91 -10.630 8.029 8.977 588 HB2 ALA 91 HB2 ALA 91 -9.648 8.489 10.393 589 HB3 ALA 91 HB3 ALA 91 -9.244 9.109 8.775 590 H ASP 92 H ASP 92 -9.964 5.062 7.930 591 HA ASP 92 HA ASP 92 -8.728 5.430 5.296 592 HB3 ASP 92 HB3 ASP 92 -10.966 3.558 6.123 593 H SER 93 H SER 93 -10.098 5.803 3.338 594 HA SER 93 HA SER 93 -12.019 8.004 3.936 595 HB3 SER 93 HB3 SER 93 -11.140 7.752 1.143 596 HG SER 93 HG SER 93 -10.832 9.782 3.122 597 H SER 94 H SER 94 -14.013 8.092 2.789 598 HA SER 94 HA SER 94 -14.966 5.794 1.299 599 HB3 SER 94 HB3 SER 94 -16.113 6.212 4.094 600 HG SER 94 HG SER 94 -15.813 3.926 2.425 601 H LYS 95 H LYS 95 -16.041 7.004 -0.174 602 HA LYS 95 HA LYS 95 -17.670 9.378 0.630 603 HB3 LYS 95 HB3 LYS 95 -16.726 10.491 -1.407 604 HG3 LYS 95 HG3 LYS 95 -14.640 9.662 0.659 605 HD3 LYS 95 HD3 LYS 95 -13.528 10.418 -1.383 606 HE3 LYS 95 HE3 LYS 95 -15.046 13.042 -0.986 607 HZ1 LYS 95 HZ1 LYS 95 -13.171 12.197 -3.109 608 HZ2 LYS 95 HZ2 LYS 95 -12.812 13.249 -1.897 609 HZ3 LYS 95 HZ3 LYS 95 -13.927 13.661 -3.022 610 H GLY 96 H GLY 96 -19.209 10.058 -1.081 611 HA2 GLY 96 HA2 GLY 96 -20.163 7.795 -2.776 612 HA3 GLY 96 HA3 GLY 96 -21.152 9.077 -2.100 613 HA PRO 97 HA PRO 97 -18.980 10.921 -5.979 614 HB3 PRO 97 HB3 PRO 97 -16.992 9.946 -6.575 615 HG3 PRO 97 HG3 PRO 97 -16.470 7.745 -5.903 616 HD3 PRO 97 HD3 PRO 97 -17.322 8.524 -3.870 617 H ASP 98 H ASP 98 -19.890 10.798 -8.254 618 HA ASP 98 HA ASP 98 -22.463 9.269 -8.390 619 HB3 ASP 98 HB3 ASP 98 -23.096 11.666 -9.504 620 H GLU 99 H GLU 99 -21.826 7.902 -10.082 621 HA GLU 99 HA GLU 99 -21.088 9.230 -12.641 622 HB3 GLU 99 HB3 GLU 99 -19.488 6.940 -11.457 623 HG3 GLU 99 HG3 GLU 99 -17.917 8.756 -13.035 624 H ALA 100 H ALA 100 -22.806 6.645 -11.093 625 HA ALA 100 HA ALA 100 -22.885 4.914 -13.495 626 HB1 ALA 100 HB1 ALA 100 -24.175 3.390 -12.011 627 HB2 ALA 100 HB2 ALA 100 -22.566 3.739 -11.371 628 HB3 ALA 100 HB3 ALA 100 -23.995 4.542 -10.674 629 H LYS 101 H LYS 101 -24.011 6.196 -14.839 630 HA LYS 101 HA LYS 101 -26.701 7.166 -14.126 631 HB3 LYS 101 HB3 LYS 101 -25.306 8.674 -15.307 632 HG3 LYS 101 HG3 LYS 101 -25.713 7.443 -17.938 633 HD3 LYS 101 HD3 LYS 101 -23.335 8.043 -18.266 634 HE3 LYS 101 HE3 LYS 101 -24.664 10.246 -16.632 635 HZ1 LYS 101 HZ1 LYS 101 -22.269 10.463 -17.447 636 HZ2 LYS 101 HZ2 LYS 101 -23.294 11.703 -17.754 637 HZ3 LYS 101 HZ3 LYS 101 -22.899 10.630 -18.941 638 H ILE 102 H ILE 102 -28.105 6.752 -16.457 639 HA ILE 102 HA ILE 102 -28.281 3.783 -16.716 640 HB ILE 102 HB ILE 102 -30.659 5.630 -16.305 641 HG13 ILE 102 HG13 ILE 102 -29.434 5.186 -14.189 642 HG21 ILE 102 HG21 ILE 102 -31.987 3.569 -16.469 643 HG22 ILE 102 HG22 ILE 102 -31.018 3.715 -17.924 644 HG23 ILE 102 HG23 ILE 102 -30.501 2.604 -16.647 645 HD11 ILE 102 HD11 ILE 102 -31.937 5.206 -14.094 646 HD12 ILE 102 HD12 ILE 102 -31.902 3.426 -14.197 647 HD13 ILE 102 HD13 ILE 102 -31.140 4.246 -12.830 648 H LYS 103 H LYS 103 -30.329 6.246 -18.217 649 HA LYS 103 HA LYS 103 -30.510 7.133 -20.273 650 HB3 LYS 103 HB3 LYS 103 -28.554 7.448 -21.730 651 HG3 LYS 103 HG3 LYS 103 -26.884 8.456 -20.050 652 HD3 LYS 103 HD3 LYS 103 -29.723 9.562 -19.971 653 HE3 LYS 103 HE3 LYS 103 -26.948 10.542 -19.306 654 HZ1 LYS 103 HZ1 LYS 103 -27.489 11.975 -21.002 655 HZ2 LYS 103 HZ2 LYS 103 -27.658 12.804 -19.612 656 HZ3 LYS 103 HZ3 LYS 103 -29.016 12.307 -20.416 657 H ALA 104 H ALA 104 -29.174 3.808 -20.187 658 HA ALA 104 HA ALA 104 -30.433 3.295 -22.835 659 HB1 ALA 104 HB1 ALA 104 -28.637 1.656 -23.136 660 HB2 ALA 104 HB2 ALA 104 -27.954 3.263 -22.822 661 HB3 ALA 104 HB3 ALA 104 -27.991 2.042 -21.525 662 H LEU 105 H LEU 105 -31.750 3.099 -20.108 663 HA LEU 105 HA LEU 105 -32.769 0.387 -20.332 664 HB3 LEU 105 HB3 LEU 105 -32.197 1.188 -17.525 665 HG LEU 105 HG LEU 105 -31.468 -1.369 -19.007 666 HD11 LEU 105 HD11 LEU 105 -31.429 -0.647 -16.037 667 HD12 LEU 105 HD12 LEU 105 -29.999 -0.807 -17.076 668 HD13 LEU 105 HD13 LEU 105 -31.012 -2.227 -16.741 669 HD21 LEU 105 HD21 LEU 105 -33.320 -2.358 -17.606 670 HD22 LEU 105 HD22 LEU 105 -33.890 -1.251 -18.842 671 HD23 LEU 105 HD23 LEU 105 -33.799 -0.723 -17.133 672 H LEU 106 H LEU 106 -34.908 0.400 -19.405 673 HA LEU 106 HA LEU 106 -35.805 2.855 -18.041 674 HB3 LEU 106 HB3 LEU 106 -37.454 1.454 -20.174 675 HG LEU 106 HG LEU 106 -38.733 2.891 -18.488 676 HD11 LEU 106 HD11 LEU 106 -38.551 5.353 -18.762 677 HD12 LEU 106 HD12 LEU 106 -37.154 5.133 -19.839 678 HD13 LEU 106 HD13 LEU 106 -37.054 4.672 -18.124 679 HD21 LEU 106 HD21 LEU 106 -40.033 4.059 -20.218 680 HD22 LEU 106 HD22 LEU 106 -39.617 2.418 -20.720 681 HD23 LEU 106 HD23 LEU 106 -38.725 3.798 -21.396 682 H GLU 107 H GLU 107 -35.938 -0.466 -18.467 683 HA GLU 107 HA GLU 107 -38.264 -1.111 -16.922 684 HB3 GLU 107 HB3 GLU 107 -35.908 -2.869 -17.722 685 HG3 GLU 107 HG3 GLU 107 -38.840 -3.568 -17.227 686 H ARG 108 H ARG 108 -38.000 0.049 -14.845 687 HA ARG 108 HA ARG 108 -37.197 -1.972 -13.064 688 HB3 ARG 108 HB3 ARG 108 -36.141 0.774 -12.360 689 HG3 ARG 108 HG3 ARG 108 -34.925 -1.991 -11.813 690 HD3 ARG 108 HD3 ARG 108 -34.122 -0.630 -9.799 691 HE ARG 108 HE ARG 108 -33.173 -0.404 -12.513 692 HH11 ARG 108 HH11 ARG 108 -32.510 0.587 -9.182 693 HH12 ARG 108 HH12 ARG 108 -30.834 0.850 -9.469 694 HH21 ARG 108 HH21 ARG 108 -30.915 0.146 -12.890 695 HH22 ARG 108 HH22 ARG 108 -30.004 0.878 -11.612 696 H THR 109 H THR 109 -37.914 -0.907 -10.684 697 HA THR 109 HA THR 109 -39.573 1.369 -10.943 698 HB THR 109 HB THR 109 -41.241 -0.405 -11.118 699 HG1 THR 109 HG1 THR 109 -41.358 0.682 -8.504 700 HG21 THR 109 HG21 THR 109 -40.271 -1.418 -8.407 701 HG22 THR 109 HG22 THR 109 -40.144 -2.280 -9.958 702 HG23 THR 109 HG23 THR 109 -41.735 -1.936 -9.269 703 H GLY 110 H GLY 110 -39.431 2.427 -9.020 704 HA2 GLY 110 HA2 GLY 110 -37.564 1.523 -6.884 705 HA3 GLY 110 HA3 GLY 110 -38.187 3.184 -7.067 706 H TYR 111 H TYR 111 -39.022 2.841 -4.849 707 HA TYR 111 HA TYR 111 -41.756 1.734 -4.945 708 HB3 TYR 111 HB3 TYR 111 -40.572 0.437 -3.277 709 HD1 TYR 111 HD1 TYR 111 -40.806 3.610 -1.300 710 HD2 TYR 111 HD2 TYR 111 -38.173 0.566 -2.878 711 HE1 TYR 111 HE1 TYR 111 -39.004 4.451 0.120 712 HE2 TYR 111 HE2 TYR 111 -36.346 1.411 -1.410 713 HH TYR 111 HH TYR 111 -36.905 3.865 1.063 714 H THR 112 H THR 112 -43.294 3.190 -4.060 715 HA THR 112 HA THR 112 -42.993 5.406 -2.560 716 HB THR 112 HB THR 112 -41.795 6.536 -4.390 717 HG1 THR 112 HG1 THR 112 -43.004 8.309 -4.377 718 HG21 THR 112 HG21 THR 112 -42.852 7.050 -6.541 719 HG22 THR 112 HG22 THR 112 -44.263 6.059 -6.117 720 HG23 THR 112 HG23 THR 112 -42.675 5.298 -6.361 721 H LEU 113 H LEU 113 -45.251 6.507 -2.530 722 HA LEU 113 HA LEU 113 -47.268 5.730 -4.235 723 HB3 LEU 113 HB3 LEU 113 -48.087 4.766 -1.504 724 HG LEU 113 HG LEU 113 -48.859 4.271 -4.347 725 HD11 LEU 113 HD11 LEU 113 -47.817 2.106 -3.855 726 HD12 LEU 113 HD12 LEU 113 -49.575 1.951 -4.000 727 HD13 LEU 113 HD13 LEU 113 -48.811 1.942 -2.391 728 HD21 LEU 113 HD21 LEU 113 -50.357 3.868 -1.719 729 HD22 LEU 113 HD22 LEU 113 -51.059 3.770 -3.348 730 HD23 LEU 113 HD23 LEU 113 -50.451 5.307 -2.744 731 H ASP 114 H ASP 114 -49.414 6.736 -3.229 732 HA ASP 114 HA ASP 114 -48.881 9.397 -2.285 733 HB3 ASP 114 HB3 ASP 114 -51.545 7.961 -2.557 734 H VAL 115 H VAL 115 -48.102 7.230 -0.381 735 HA VAL 115 HA VAL 115 -49.369 8.300 1.981 736 HB VAL 115 HB VAL 115 -49.862 6.227 3.090 737 HG11 VAL 115 HG11 VAL 115 -51.687 7.232 1.742 738 HG12 VAL 115 HG12 VAL 115 -51.276 6.150 0.399 739 HG13 VAL 115 HG13 VAL 115 -51.852 5.477 1.938 740 HG21 VAL 115 HG21 VAL 115 -49.105 4.750 0.545 741 HG22 VAL 115 HG22 VAL 115 -48.272 4.670 2.114 742 HG23 VAL 115 HG23 VAL 115 -49.905 4.029 1.955 743 H THR 116 H THR 116 -48.031 7.077 3.973 744 HA THR 116 HA THR 116 -45.284 7.764 3.669 745 HB THR 116 HB THR 116 -45.259 6.674 5.991 746 HG1 THR 116 HG1 THR 116 -47.031 5.331 5.627 747 HG21 THR 116 HG21 THR 116 -46.547 8.472 7.062 748 HG22 THR 116 HG22 THR 116 -47.361 8.846 5.530 749 HG23 THR 116 HG23 THR 116 -45.611 9.115 5.700 750 H THR 117 H THR 117 -44.677 6.535 1.899 751 HA THR 117 HA THR 117 -44.347 3.605 2.340 752 HB THR 117 HB THR 117 -44.443 4.800 -0.431 753 HG1 THR 117 HG1 THR 117 -46.243 5.686 0.551 754 HG21 THR 117 HG21 THR 117 -43.979 2.365 -0.035 755 HG22 THR 117 HG22 THR 117 -45.478 2.639 -0.944 756 HG23 THR 117 HG23 THR 117 -45.555 2.229 0.781 757 H GLY 118 H GLY 118 -42.240 4.154 3.505 758 HA2 GLY 118 HA2 GLY 118 -40.059 3.633 1.919 759 HA3 GLY 118 HA3 GLY 118 -40.086 5.387 2.263 Start of MODEL 17 1 H1 GLY 1 H1 GLY 1 10.251 -17.372 -9.186 2 HA2 GLY 1 HA2 GLY 1 10.989 -17.544 -6.322 3 HA3 GLY 1 HA3 GLY 1 11.498 -16.222 -7.407 4 H SER 2 H SER 2 10.338 -14.422 -7.024 5 HA SER 2 HA SER 2 7.399 -14.600 -6.655 6 HB3 SER 2 HB3 SER 2 8.848 -12.354 -5.346 7 HG SER 2 HG SER 2 7.300 -13.507 -3.645 8 H GLU 3 H GLU 3 6.595 -12.166 -7.006 9 HA GLU 3 HA GLU 3 7.491 -11.636 -9.803 10 HB3 GLU 3 HB3 GLU 3 4.802 -10.833 -8.681 11 HG3 GLU 3 HG3 GLU 3 5.834 -12.287 -11.147 12 H ASN 4 H ASN 4 8.117 -10.283 -7.005 13 HA ASN 4 HA ASN 4 7.716 -7.480 -7.970 14 HB3 ASN 4 HB3 ASN 4 7.105 -8.184 -5.613 15 HD21 ASN 4 HD21 ASN 4 9.817 -6.541 -4.504 16 HD22 ASN 4 HD22 ASN 4 10.580 -7.890 -3.672 17 H PHE 5 H PHE 5 10.317 -9.841 -7.562 18 HA PHE 5 HA PHE 5 12.321 -8.056 -6.814 19 HB3 PHE 5 HB3 PHE 5 12.594 -10.634 -8.413 20 HD1 PHE 5 HD1 PHE 5 14.430 -8.182 -6.191 21 HD2 PHE 5 HD2 PHE 5 14.735 -11.667 -8.687 22 HE1 PHE 5 HE1 PHE 5 16.878 -8.045 -6.090 23 HE2 PHE 5 HE2 PHE 5 17.184 -11.546 -8.574 24 HZ PHE 5 HZ PHE 5 18.285 -9.745 -7.264 25 H GLN 6 H GLN 6 11.252 -8.926 -10.094 26 HA GLN 6 HA GLN 6 13.352 -7.288 -11.328 27 HB3 GLN 6 HB3 GLN 6 11.154 -9.126 -12.343 28 HG3 GLN 6 HG3 GLN 6 11.496 -7.356 -14.054 29 HE21 GLN 6 HE21 GLN 6 13.026 -5.662 -13.744 30 HE22 GLN 6 HE22 GLN 6 14.566 -5.717 -14.544 31 H THR 7 H THR 7 9.820 -7.045 -10.603 32 HA THR 7 HA THR 7 9.473 -4.903 -12.452 33 HB THR 7 HB THR 7 7.692 -6.392 -11.257 34 HG1 THR 7 HG1 THR 7 7.205 -4.844 -12.757 35 HG21 THR 7 HG21 THR 7 7.559 -4.030 -9.354 36 HG22 THR 7 HG22 THR 7 8.166 -5.645 -8.919 37 HG23 THR 7 HG23 THR 7 6.499 -5.433 -9.447 38 H LEU 8 H LEU 8 10.397 -4.892 -9.012 39 HA LEU 8 HA LEU 8 10.380 -2.074 -8.601 40 HB3 LEU 8 HB3 LEU 8 12.106 -2.611 -6.796 41 HG LEU 8 HG LEU 8 9.744 -4.539 -7.034 42 HD11 LEU 8 HD11 LEU 8 11.378 -5.628 -5.724 43 HD12 LEU 8 HD12 LEU 8 10.233 -4.870 -4.593 44 HD13 LEU 8 HD13 LEU 8 11.827 -4.147 -4.895 45 HD21 LEU 8 HD21 LEU 8 10.112 -2.000 -5.413 46 HD22 LEU 8 HD22 LEU 8 8.726 -3.134 -5.326 47 HD23 LEU 8 HD23 LEU 8 9.031 -2.248 -6.823 48 H LEU 9 H LEU 9 12.775 -4.280 -9.960 49 HA LEU 9 HA LEU 9 14.900 -2.419 -10.302 50 HB3 LEU 9 HB3 LEU 9 15.229 -4.337 -12.298 51 HG LEU 9 HG LEU 9 15.932 -4.239 -9.332 52 HD11 LEU 9 HD11 LEU 9 17.380 -6.187 -9.638 53 HD12 LEU 9 HD12 LEU 9 16.658 -6.459 -11.250 54 HD13 LEU 9 HD13 LEU 9 15.686 -6.580 -9.779 55 HD21 LEU 9 HD21 LEU 9 17.515 -4.009 -11.932 56 HD22 LEU 9 HD22 LEU 9 18.222 -3.968 -10.312 57 HD23 LEU 9 HD23 LEU 9 17.076 -2.695 -10.819 58 H ASP 10 H ASP 10 12.067 -3.074 -12.334 59 HA ASP 10 HA ASP 10 13.199 -1.152 -14.300 60 HB3 ASP 10 HB3 ASP 10 10.625 -2.518 -14.934 61 H ALA 11 H ALA 11 11.247 -0.971 -11.634 62 HA ALA 11 HA ALA 11 9.346 0.992 -12.604 63 HB1 ALA 11 HB1 ALA 11 10.173 0.179 -9.801 64 HB2 ALA 11 HB2 ALA 11 8.779 1.194 -10.205 65 HB3 ALA 11 HB3 ALA 11 8.826 -0.497 -10.732 66 H GLY 12 H GLY 12 12.653 1.222 -12.143 67 HA2 GLY 12 HA2 GLY 12 13.679 3.356 -12.464 68 HA3 GLY 12 HA3 GLY 12 12.548 4.093 -11.349 69 H LEU 13 H LEU 13 13.664 1.011 -10.223 70 HA LEU 13 HA LEU 13 15.200 2.467 -8.125 71 HB3 LEU 13 HB3 LEU 13 14.250 0.910 -6.570 72 HG LEU 13 HG LEU 13 11.986 1.392 -8.571 73 HD11 LEU 13 HD11 LEU 13 10.486 1.163 -6.665 74 HD12 LEU 13 HD12 LEU 13 11.842 0.788 -5.617 75 HD13 LEU 13 HD13 LEU 13 11.417 -0.293 -6.953 76 HD21 LEU 13 HD21 LEU 13 13.066 3.583 -7.818 77 HD22 LEU 13 HD22 LEU 13 12.456 3.201 -6.192 78 HD23 LEU 13 HD23 LEU 13 11.329 3.378 -7.544 79 HA PRO 14 HA PRO 14 18.785 0.026 -9.096 80 HB3 PRO 14 HB3 PRO 14 19.867 1.528 -7.598 81 HG3 PRO 14 HG3 PRO 14 18.879 2.054 -5.474 82 HD3 PRO 14 HD3 PRO 14 17.318 2.664 -7.181 83 H GLN 15 H GLN 15 19.869 -1.914 -8.813 84 HA GLN 15 HA GLN 15 18.677 -4.294 -8.230 85 HB3 GLN 15 HB3 GLN 15 21.594 -3.764 -7.614 86 HG3 GLN 15 HG3 GLN 15 20.396 -6.127 -7.438 87 HE21 GLN 15 HE21 GLN 15 19.705 -7.961 -8.653 88 HE22 GLN 15 HE22 GLN 15 19.425 -7.888 -10.395 89 H LYS 16 H LYS 16 20.854 -2.659 -5.966 90 HA LYS 16 HA LYS 16 20.711 -4.351 -3.807 91 HB3 LYS 16 HB3 LYS 16 22.382 -2.713 -3.773 92 HG3 LYS 16 HG3 LYS 16 20.160 -0.649 -4.126 93 HD3 LYS 16 HD3 LYS 16 22.960 -0.272 -3.099 94 HE3 LYS 16 HE3 LYS 16 22.607 2.139 -4.102 95 HZ1 LYS 16 HZ1 LYS 16 23.498 0.040 -5.978 96 HZ2 LYS 16 HZ2 LYS 16 24.402 0.613 -4.696 97 HZ3 LYS 16 HZ3 LYS 16 23.993 1.609 -5.886 98 H VAL 17 H VAL 17 18.238 -1.875 -4.594 99 HA VAL 17 HA VAL 17 17.070 -2.099 -1.926 100 HB VAL 17 HB VAL 17 16.205 -0.716 -4.473 101 HG11 VAL 17 HG11 VAL 17 14.782 -0.818 -1.768 102 HG12 VAL 17 HG12 VAL 17 14.392 0.307 -3.091 103 HG13 VAL 17 HG13 VAL 17 14.134 -1.416 -3.324 104 HG21 VAL 17 HG21 VAL 17 17.180 0.284 -1.777 105 HG22 VAL 17 HG22 VAL 17 18.180 0.249 -3.232 106 HG23 VAL 17 HG23 VAL 17 16.787 1.301 -3.147 107 H ALA 18 H ALA 18 16.104 -3.207 -5.254 108 HA ALA 18 HA ALA 18 14.025 -4.867 -4.471 109 HB1 ALA 18 HB1 ALA 18 14.412 -6.081 -6.534 110 HB2 ALA 18 HB2 ALA 18 14.643 -4.364 -6.808 111 HB3 ALA 18 HB3 ALA 18 16.056 -5.429 -6.663 112 H GLU 19 H GLU 19 17.516 -5.603 -4.387 113 HA GLU 19 HA GLU 19 17.413 -8.300 -3.611 114 HB3 GLU 19 HB3 GLU 19 19.746 -7.831 -2.733 115 HG3 GLU 19 HG3 GLU 19 20.417 -6.765 -5.053 116 H LYS 20 H LYS 20 16.488 -5.572 -1.608 117 HA LYS 20 HA LYS 20 16.655 -7.337 0.820 118 HB3 LYS 20 HB3 LYS 20 16.043 -4.978 1.914 119 HG3 LYS 20 HG3 LYS 20 18.036 -6.309 2.483 120 HD3 LYS 20 HD3 LYS 20 20.078 -4.908 1.140 121 HE3 LYS 20 HE3 LYS 20 20.296 -7.178 -0.138 122 HZ1 LYS 20 HZ1 LYS 20 21.073 -8.282 1.887 123 HZ2 LYS 20 HZ2 LYS 20 20.433 -7.116 2.813 124 HZ3 LYS 20 HZ3 LYS 20 21.631 -6.733 1.760 125 H LEU 21 H LEU 21 14.558 -6.320 -1.595 126 HA LEU 21 HA LEU 21 12.218 -6.086 0.212 127 HB3 LEU 21 HB3 LEU 21 12.602 -5.192 -2.657 128 HG LEU 21 HG LEU 21 10.282 -5.447 -2.399 129 HD11 LEU 21 HD11 LEU 21 10.397 -4.093 0.344 130 HD12 LEU 21 HD12 LEU 21 9.887 -5.752 -0.010 131 HD13 LEU 21 HD13 LEU 21 8.926 -4.398 -0.568 132 HD21 LEU 21 HD21 LEU 21 11.308 -3.140 -3.094 133 HD22 LEU 21 HD22 LEU 21 10.691 -2.565 -1.571 134 HD23 LEU 21 HD23 LEU 21 9.571 -3.234 -2.768 135 H ASP 22 H ASP 22 13.552 -7.846 -2.530 136 HA ASP 22 HA ASP 22 11.427 -9.321 -3.486 137 HB3 ASP 22 HB3 ASP 22 13.787 -9.348 -4.297 138 H GLU 23 H GLU 23 13.472 -10.368 -0.741 139 HA GLU 23 HA GLU 23 12.113 -12.655 -0.343 140 HB3 GLU 23 HB3 GLU 23 13.498 -11.034 1.814 141 HG3 GLU 23 HG3 GLU 23 13.845 -13.899 0.948 142 H ILE 24 H ILE 24 11.164 -9.465 0.774 143 HA ILE 24 HA ILE 24 9.599 -10.196 3.088 144 HB ILE 24 HB ILE 24 9.527 -7.818 1.200 145 HG13 ILE 24 HG13 ILE 24 11.563 -8.146 2.769 146 HG21 ILE 24 HG21 ILE 24 8.040 -6.650 2.657 147 HG22 ILE 24 HG22 ILE 24 7.298 -8.189 2.315 148 HG23 ILE 24 HG23 ILE 24 8.103 -7.929 3.876 149 HD11 ILE 24 HD11 ILE 24 11.562 -5.811 3.662 150 HD12 ILE 24 HD12 ILE 24 11.218 -5.935 1.932 151 HD13 ILE 24 HD13 ILE 24 9.905 -5.613 3.072 152 H TYR 25 H TYR 25 9.083 -10.155 -0.418 153 HA TYR 25 HA TYR 25 6.310 -11.060 -0.224 154 HB3 TYR 25 HB3 TYR 25 6.392 -11.126 -2.682 155 HD1 TYR 25 HD1 TYR 25 4.617 -9.510 -2.043 156 HD2 TYR 25 HD2 TYR 25 8.780 -8.429 -2.070 157 HE1 TYR 25 HE1 TYR 25 4.009 -7.083 -1.924 158 HE2 TYR 25 HE2 TYR 25 8.163 -6.034 -2.051 159 HH TYR 25 HH TYR 25 6.401 -4.474 -2.048 160 H VAL 26 H VAL 26 8.855 -12.756 0.725 161 HA VAL 26 HA VAL 26 7.717 -15.301 -0.389 162 HB VAL 26 HB VAL 26 10.614 -14.762 0.397 163 HG11 VAL 26 HG11 VAL 26 9.258 -17.157 -0.903 164 HG12 VAL 26 HG12 VAL 26 11.010 -16.938 -0.830 165 HG13 VAL 26 HG13 VAL 26 10.099 -17.114 0.656 166 HG21 VAL 26 HG21 VAL 26 10.115 -13.541 -1.665 167 HG22 VAL 26 HG22 VAL 26 11.136 -14.929 -2.001 168 HG23 VAL 26 HG23 VAL 26 9.392 -15.005 -2.384 169 H ALA 27 H ALA 27 8.277 -13.338 2.382 170 HA ALA 27 HA ALA 27 8.271 -15.626 4.258 171 HB1 ALA 27 HB1 ALA 27 10.206 -14.078 4.226 172 HB2 ALA 27 HB2 ALA 27 9.104 -12.739 4.642 173 HB3 ALA 27 HB3 ALA 27 9.342 -14.086 5.770 174 H GLY 28 H GLY 28 5.794 -14.328 2.970 175 HA2 GLY 28 HA2 GLY 28 3.655 -13.904 3.553 176 HA3 GLY 28 HA3 GLY 28 4.022 -14.684 5.113 177 H LEU 29 H LEU 29 5.784 -11.809 4.223 178 HA LEU 29 HA LEU 29 4.816 -10.392 6.570 179 HB3 LEU 29 HB3 LEU 29 6.446 -8.611 5.456 180 HG LEU 29 HG LEU 29 7.411 -11.248 6.611 181 HD11 LEU 29 HD11 LEU 29 9.204 -10.413 5.201 182 HD12 LEU 29 HD12 LEU 29 9.616 -10.111 6.891 183 HD13 LEU 29 HD13 LEU 29 9.040 -8.775 5.887 184 HD21 LEU 29 HD21 LEU 29 7.309 -8.409 7.736 185 HD22 LEU 29 HD22 LEU 29 7.936 -9.818 8.575 186 HD23 LEU 29 HD23 LEU 29 6.226 -9.723 8.183 187 H VAL 30 H VAL 30 3.664 -10.612 3.328 188 HA VAL 30 HA VAL 30 2.308 -8.037 3.453 189 HB VAL 30 HB VAL 30 3.192 -7.474 1.148 190 HG11 VAL 30 HG11 VAL 30 5.058 -6.173 1.997 191 HG12 VAL 30 HG12 VAL 30 3.867 -6.291 3.308 192 HG13 VAL 30 HG13 VAL 30 5.326 -7.310 3.347 193 HG21 VAL 30 HG21 VAL 30 5.423 -9.393 1.921 194 HG22 VAL 30 HG22 VAL 30 4.321 -9.530 0.528 195 HG23 VAL 30 HG23 VAL 30 5.512 -8.215 0.614 196 H ALA 31 H ALA 31 1.010 -7.586 1.518 197 HA ALA 31 HA ALA 31 -0.327 -10.019 0.801 198 HB1 ALA 31 HB1 ALA 31 -1.216 -7.107 0.543 199 HB2 ALA 31 HB2 ALA 31 -2.253 -8.519 0.321 200 HB3 ALA 31 HB3 ALA 31 -1.577 -8.188 1.918 201 H HIS 32 H HIS 32 2.007 -8.506 -0.851 202 HA HIS 32 HA HIS 32 2.640 -8.351 -3.042 203 HB3 HIS 32 HB3 HIS 32 -0.104 -9.015 -4.123 204 HD1 HIS 32 HD1 HIS 32 0.938 -11.009 -6.262 205 HD2 HIS 32 HD2 HIS 32 2.588 -7.283 -5.327 206 HE1 HIS 32 HE1 HIS 32 2.328 -10.324 -8.305 207 H SER 33 H SER 33 -0.831 -7.428 -2.884 208 HA SER 33 HA SER 33 -0.486 -4.687 -3.707 209 HB3 SER 33 HB3 SER 33 -2.393 -5.921 -4.410 210 HG SER 33 HG SER 33 -3.496 -7.247 -3.138 211 H ASP 34 H ASP 34 1.146 -5.134 -1.452 212 HA ASP 34 HA ASP 34 -0.289 -4.267 0.990 213 HB3 ASP 34 HB3 ASP 34 2.625 -4.825 0.400 214 H LEU 35 H LEU 35 2.385 -2.834 -1.085 215 HA LEU 35 HA LEU 35 1.788 -0.256 0.095 216 HB3 LEU 35 HB3 LEU 35 3.606 0.559 -1.271 217 HG LEU 35 HG LEU 35 5.410 -0.430 -0.279 218 HD11 LEU 35 HD11 LEU 35 4.855 -1.091 2.050 219 HD12 LEU 35 HD12 LEU 35 3.175 -1.306 1.607 220 HD13 LEU 35 HD13 LEU 35 3.898 0.323 1.528 221 HD21 LEU 35 HD21 LEU 35 4.962 -2.698 -1.337 222 HD22 LEU 35 HD22 LEU 35 4.120 -3.107 0.155 223 HD23 LEU 35 HD23 LEU 35 5.815 -2.665 0.212 224 H ASP 36 H ASP 36 0.001 0.733 -0.516 225 HA ASP 36 HA ASP 36 -0.947 0.709 -3.271 226 HB3 ASP 36 HB3 ASP 36 -2.505 0.868 -1.347 227 H GLU 37 H GLU 37 -1.440 3.091 -4.017 228 HA GLU 37 HA GLU 37 0.876 3.660 -5.324 229 HB3 GLU 37 HB3 GLU 37 -1.446 5.618 -4.973 230 HG3 GLU 37 HG3 GLU 37 0.060 4.606 -7.419 231 H ARG 38 H ARG 38 -0.511 5.168 -2.508 232 HA ARG 38 HA ARG 38 1.061 7.514 -2.532 233 HB3 ARG 38 HB3 ARG 38 -0.100 8.167 -0.640 234 HG3 ARG 38 HG3 ARG 38 -1.887 5.803 -1.303 235 HD3 ARG 38 HD3 ARG 38 -3.746 7.261 -0.941 236 HE ARG 38 HE ARG 38 -2.293 8.267 1.361 237 HH11 ARG 38 HH11 ARG 38 -3.362 4.990 0.387 238 HH12 ARG 38 HH12 ARG 38 -4.296 4.784 1.817 239 HH21 ARG 38 HH21 ARG 38 -3.814 8.030 3.042 240 HH22 ARG 38 HH22 ARG 38 -4.499 6.521 3.374 241 H ALA 39 H ALA 39 1.572 4.310 -1.161 242 HA ALA 39 HA ALA 39 3.969 5.151 0.369 243 HB1 ALA 39 HB1 ALA 39 2.698 3.298 1.325 244 HB2 ALA 39 HB2 ALA 39 2.780 2.398 -0.194 245 HB3 ALA 39 HB3 ALA 39 4.244 2.703 0.759 246 H ILE 40 H ILE 40 3.060 3.535 -2.725 247 HA ILE 40 HA ILE 40 5.670 2.850 -3.528 248 HB ILE 40 HB ILE 40 3.053 3.295 -4.954 249 HG13 ILE 40 HG13 ILE 40 3.126 0.871 -5.294 250 HG21 ILE 40 HG21 ILE 40 3.916 2.316 -7.006 251 HG22 ILE 40 HG22 ILE 40 4.710 3.847 -6.652 252 HG23 ILE 40 HG23 ILE 40 5.566 2.319 -6.334 253 HD11 ILE 40 HD11 ILE 40 4.624 -0.619 -4.198 254 HD12 ILE 40 HD12 ILE 40 5.610 0.450 -5.188 255 HD13 ILE 40 HD13 ILE 40 5.515 0.701 -3.428 256 H GLU 41 H GLU 41 3.880 5.899 -4.179 257 HA GLU 41 HA GLU 41 5.793 7.183 -5.797 258 HB3 GLU 41 HB3 GLU 41 4.793 9.279 -4.555 259 HG3 GLU 41 HG3 GLU 41 2.326 8.482 -5.294 260 H ALA 42 H ALA 42 5.583 7.060 -2.242 261 HA ALA 42 HA ALA 42 7.897 8.718 -1.765 262 HB1 ALA 42 HB1 ALA 42 6.698 6.550 0.015 263 HB2 ALA 42 HB2 ALA 42 7.703 7.935 0.513 264 HB3 ALA 42 HB3 ALA 42 6.049 8.194 -0.112 265 H LEU 43 H LEU 43 7.341 5.307 -2.294 266 HA LEU 43 HA LEU 43 10.125 4.557 -1.738 267 HB3 LEU 43 HB3 LEU 43 9.279 2.244 -2.191 268 HG LEU 43 HG LEU 43 7.932 4.011 -0.125 269 HD11 LEU 43 HD11 LEU 43 6.427 2.147 -0.775 270 HD12 LEU 43 HD12 LEU 43 6.922 2.200 0.904 271 HD13 LEU 43 HD13 LEU 43 7.654 1.010 -0.225 272 HD21 LEU 43 HD21 LEU 43 10.233 2.022 0.002 273 HD22 LEU 43 HD22 LEU 43 9.412 2.692 1.435 274 HD23 LEU 43 HD23 LEU 43 10.275 3.750 0.317 275 H LYS 44 H LYS 44 9.717 6.386 -3.849 276 HA LYS 44 HA LYS 44 10.899 4.908 -6.099 277 HB3 LYS 44 HB3 LYS 44 9.133 7.365 -6.436 278 HG3 LYS 44 HG3 LYS 44 10.850 5.897 -8.211 279 HD3 LYS 44 HD3 LYS 44 8.126 4.941 -8.437 280 HE3 LYS 44 HE3 LYS 44 7.857 7.056 -9.750 281 HZ1 LYS 44 HZ1 LYS 44 10.139 6.759 -10.865 282 HZ2 LYS 44 HZ2 LYS 44 8.882 7.358 -11.699 283 HZ3 LYS 44 HZ3 LYS 44 9.306 5.803 -11.945 284 H GLU 45 H GLU 45 10.333 8.084 -4.633 285 HA GLU 45 HA GLU 45 12.655 9.362 -5.594 286 HB3 GLU 45 HB3 GLU 45 11.847 11.158 -4.002 287 HG3 GLU 45 HG3 GLU 45 9.348 11.164 -4.755 288 H PHE 46 H PHE 46 13.956 7.175 -4.476 289 HA PHE 46 HA PHE 46 15.307 8.379 -2.085 290 HB3 PHE 46 HB3 PHE 46 14.053 6.527 -1.219 291 HD1 PHE 46 HD1 PHE 46 16.524 4.678 -3.347 292 HD2 PHE 46 HD2 PHE 46 12.369 5.152 -2.273 293 HE1 PHE 46 HE1 PHE 46 15.982 2.697 -4.607 294 HE2 PHE 46 HE2 PHE 46 11.897 2.971 -3.405 295 HZ PHE 46 HZ PHE 46 13.660 1.784 -4.610 296 H ASN 47 H ASN 47 17.405 7.798 -1.758 297 HA ASN 47 HA ASN 47 19.234 7.372 -4.017 298 HB3 ASN 47 HB3 ASN 47 19.753 9.224 -2.506 299 HD21 ASN 47 HD21 ASN 47 21.422 7.804 0.123 300 HD22 ASN 47 HD22 ASN 47 20.083 8.004 1.231 301 H GLU 48 H GLU 48 21.228 6.058 -3.199 302 HA GLU 48 HA GLU 48 20.769 3.348 -3.148 303 HB3 GLU 48 HB3 GLU 48 23.046 5.166 -2.300 304 HG3 GLU 48 HG3 GLU 48 22.959 2.184 -1.951 305 H ASP 49 H ASP 49 21.049 5.380 -0.214 306 HA ASP 49 HA ASP 49 20.653 2.918 1.425 307 HB3 ASP 49 HB3 ASP 49 21.667 5.662 1.989 308 H GLY 50 H GLY 50 18.818 5.348 0.022 309 HA2 GLY 50 HA2 GLY 50 17.318 6.217 2.307 310 HA3 GLY 50 HA3 GLY 50 17.076 6.704 0.614 311 H ALA 51 H ALA 51 16.648 3.596 0.015 312 HA ALA 51 HA ALA 51 14.011 3.259 1.315 313 HB1 ALA 51 HB1 ALA 51 13.604 1.468 -0.233 314 HB2 ALA 51 HB2 ALA 51 14.136 2.893 -1.142 315 HB3 ALA 51 HB3 ALA 51 15.266 1.573 -0.867 316 H LEU 52 H LEU 52 17.266 1.760 0.868 317 HA LEU 52 HA LEU 52 16.785 -0.610 2.253 318 HB3 LEU 52 HB3 LEU 52 19.297 -0.456 2.899 319 HG LEU 52 HG LEU 52 18.559 -0.161 -0.035 320 HD11 LEU 52 HD11 LEU 52 20.701 -1.246 -0.491 321 HD12 LEU 52 HD12 LEU 52 21.087 -1.302 1.236 322 HD13 LEU 52 HD13 LEU 52 20.980 0.257 0.403 323 HD21 LEU 52 HD21 LEU 52 18.968 -2.589 1.762 324 HD22 LEU 52 HD22 LEU 52 18.850 -2.687 0.004 325 HD23 LEU 52 HD23 LEU 52 17.462 -2.129 0.943 326 H ALA 53 H ALA 53 17.513 2.538 3.705 327 HA ALA 53 HA ALA 53 17.779 1.518 6.412 328 HB1 ALA 53 HB1 ALA 53 18.034 3.881 6.955 329 HB2 ALA 53 HB2 ALA 53 19.060 3.444 5.563 330 HB3 ALA 53 HB3 ALA 53 17.527 4.334 5.305 331 H VAL 54 H VAL 54 15.180 1.526 4.605 332 HA VAL 54 HA VAL 54 13.316 2.425 6.743 333 HB VAL 54 HB VAL 54 12.632 2.166 3.757 334 HG11 VAL 54 HG11 VAL 54 10.812 3.533 4.285 335 HG12 VAL 54 HG12 VAL 54 10.915 2.264 5.530 336 HG13 VAL 54 HG13 VAL 54 11.486 3.898 5.923 337 HG21 VAL 54 HG21 VAL 54 12.867 4.602 3.493 338 HG22 VAL 54 HG22 VAL 54 13.712 4.668 5.075 339 HG23 VAL 54 HG23 VAL 54 14.413 3.790 3.706 340 H LEU 55 H LEU 55 13.582 0.230 3.882 341 HA LEU 55 HA LEU 55 11.867 -1.754 4.556 342 HB3 LEU 55 HB3 LEU 55 13.681 -3.124 3.303 343 HG LEU 55 HG LEU 55 11.605 -1.586 2.460 344 HD11 LEU 55 HD11 LEU 55 12.585 0.418 2.189 345 HD12 LEU 55 HD12 LEU 55 12.132 -0.224 0.622 346 HD13 LEU 55 HD13 LEU 55 13.859 -0.272 1.103 347 HD21 LEU 55 HD21 LEU 55 12.062 -2.512 0.187 348 HD22 LEU 55 HD22 LEU 55 12.449 -3.732 1.399 349 HD23 LEU 55 HD23 LEU 55 13.757 -2.818 0.624 350 H GLN 56 H GLN 56 15.007 -1.066 6.095 351 HA GLN 56 HA GLN 56 15.397 -3.613 7.193 352 HB3 GLN 56 HB3 GLN 56 16.310 -1.130 8.661 353 HG3 GLN 56 HG3 GLN 56 18.515 -2.264 8.442 354 HE21 GLN 56 HE21 GLN 56 16.146 -5.008 8.606 355 HE22 GLN 56 HE22 GLN 56 16.178 -5.097 10.332 356 H GLN 57 H GLN 57 14.234 -0.791 9.158 357 HA GLN 57 HA GLN 57 13.168 -2.331 11.259 358 HB3 GLN 57 HB3 GLN 57 11.870 -0.509 11.969 359 HG3 GLN 57 HG3 GLN 57 13.840 1.152 10.453 360 HE21 GLN 57 HE21 GLN 57 14.615 3.029 11.532 361 HE22 GLN 57 HE22 GLN 57 13.901 3.528 13.047 362 H PHE 58 H PHE 58 11.652 -1.498 8.085 363 HA PHE 58 HA PHE 58 9.052 -2.205 8.642 364 HB3 PHE 58 HB3 PHE 58 10.521 -2.692 6.043 365 HD1 PHE 58 HD1 PHE 58 7.267 -1.083 7.107 366 HD2 PHE 58 HD2 PHE 58 9.197 -4.173 4.784 367 HE1 PHE 58 HE1 PHE 58 5.067 -1.770 6.162 368 HE2 PHE 58 HE2 PHE 58 6.993 -4.831 3.861 369 HZ PHE 58 HZ PHE 58 4.928 -3.630 4.568 370 H LYS 59 H LYS 59 11.671 -4.447 7.660 371 HA LYS 59 HA LYS 59 10.208 -6.899 7.572 372 HB3 LYS 59 HB3 LYS 59 12.531 -7.850 8.154 373 HG3 LYS 59 HG3 LYS 59 12.008 -5.972 5.848 374 HD3 LYS 59 HD3 LYS 59 14.664 -6.560 6.770 375 HE3 LYS 59 HE3 LYS 59 13.627 -8.526 4.843 376 HZ1 LYS 59 HZ1 LYS 59 15.519 -8.499 3.472 377 HZ2 LYS 59 HZ2 LYS 59 16.171 -7.210 4.167 378 HZ3 LYS 59 HZ3 LYS 59 14.755 -7.080 3.256 379 H ASP 60 H ASP 60 11.704 -5.141 10.243 380 HA ASP 60 HA ASP 60 11.406 -7.447 12.054 381 HB3 ASP 60 HB3 ASP 60 12.889 -4.832 12.360 382 H SER 61 H SER 61 9.528 -4.871 11.298 383 HA SER 61 HA SER 61 8.773 -3.624 13.712 384 HB3 SER 61 HB3 SER 61 6.732 -3.120 12.385 385 HG SER 61 HG SER 61 9.332 -2.808 11.309 386 H ASP 62 H ASP 62 6.684 -3.709 14.780 387 HA ASP 62 HA ASP 62 5.671 -6.261 15.440 388 HB3 ASP 62 HB3 ASP 62 6.020 -4.505 17.117 389 H LEU 63 H LEU 63 5.199 -6.569 13.085 390 HA LEU 63 HA LEU 63 2.835 -5.318 11.922 391 HB3 LEU 63 HB3 LEU 63 3.193 -7.175 10.182 392 HG LEU 63 HG LEU 63 5.418 -5.279 10.976 393 HD11 LEU 63 HD11 LEU 63 6.491 -6.981 9.617 394 HD12 LEU 63 HD12 LEU 63 6.213 -5.587 8.571 395 HD13 LEU 63 HD13 LEU 63 5.157 -6.997 8.442 396 HD21 LEU 63 HD21 LEU 63 3.829 -4.968 8.418 397 HD22 LEU 63 HD22 LEU 63 4.460 -3.762 9.518 398 HD23 LEU 63 HD23 LEU 63 2.973 -4.588 9.950 399 H SER 64 H SER 64 2.554 -6.896 14.559 400 HA SER 64 HA SER 64 0.724 -9.076 14.045 401 HB3 SER 64 HB3 SER 64 1.918 -9.025 16.112 402 HG SER 64 HG SER 64 1.028 -6.344 16.188 403 H HIS 65 H HIS 65 -1.269 -8.802 13.263 404 HA HIS 65 HA HIS 65 -3.244 -7.997 12.657 405 HB3 HIS 65 HB3 HIS 65 -3.549 -9.116 14.723 406 HD1 HIS 65 HD1 HIS 65 -2.101 -9.024 17.032 407 HD2 HIS 65 HD2 HIS 65 -4.414 -5.591 16.107 408 HE1 HIS 65 HE1 HIS 65 -2.029 -7.559 19.036 409 H VAL 66 H VAL 66 -1.299 -5.769 12.567 410 HA VAL 66 HA VAL 66 -2.337 -3.302 13.045 411 HB VAL 66 HB VAL 66 -0.109 -4.014 12.191 412 HG11 VAL 66 HG11 VAL 66 -1.232 -5.462 10.307 413 HG12 VAL 66 HG12 VAL 66 -1.134 -3.980 9.345 414 HG13 VAL 66 HG13 VAL 66 0.354 -4.698 10.059 415 HG21 VAL 66 HG21 VAL 66 0.192 -2.102 10.463 416 HG22 VAL 66 HG22 VAL 66 -1.494 -1.735 10.702 417 HG23 VAL 66 HG23 VAL 66 -0.376 -1.668 12.085 418 H GLN 67 H GLN 67 -3.471 -1.740 11.805 419 HA GLN 67 HA GLN 67 -5.800 -2.597 10.368 420 HB3 GLN 67 HB3 GLN 67 -4.475 0.149 10.522 421 HG3 GLN 67 HG3 GLN 67 -7.422 -0.515 10.168 422 HE21 GLN 67 HE21 GLN 67 -8.757 1.309 9.633 423 HE22 GLN 67 HE22 GLN 67 -8.123 2.938 9.598 424 H ASN 68 H ASN 68 -2.823 -0.814 9.256 425 HA ASN 68 HA ASN 68 -3.437 -1.700 6.470 426 HB3 ASN 68 HB3 ASN 68 -2.740 1.133 7.377 427 HD21 ASN 68 HD21 ASN 68 -1.460 1.743 5.534 428 HD22 ASN 68 HD22 ASN 68 -1.973 1.465 3.887 429 H LYS 69 H LYS 69 -1.676 -3.149 6.382 430 HA LYS 69 HA LYS 69 0.889 -2.920 7.378 431 HB3 LYS 69 HB3 LYS 69 1.516 -4.229 5.178 432 HG3 LYS 69 HG3 LYS 69 -0.214 -6.140 5.777 433 HD3 LYS 69 HD3 LYS 69 1.808 -5.443 7.896 434 HE3 LYS 69 HE3 LYS 69 0.638 -8.039 6.815 435 HZ1 LYS 69 HZ1 LYS 69 2.271 -9.174 8.229 436 HZ2 LYS 69 HZ2 LYS 69 3.008 -7.773 8.565 437 HZ3 LYS 69 HZ3 LYS 69 3.003 -8.343 7.035 438 H SER 70 H SER 70 -0.182 -1.333 4.258 439 HA SER 70 HA SER 70 2.284 -0.438 3.523 440 HB3 SER 70 HB3 SER 70 1.114 0.449 1.836 441 HG SER 70 HG SER 70 -0.523 -0.918 1.855 442 H ALA 71 H ALA 71 0.059 1.006 5.838 443 HA ALA 71 HA ALA 71 1.440 3.598 5.901 444 HB1 ALA 71 HB1 ALA 71 -0.986 3.436 6.352 445 HB2 ALA 71 HB2 ALA 71 -0.677 2.415 7.773 446 HB3 ALA 71 HB3 ALA 71 -0.124 4.104 7.749 447 H PHE 72 H PHE 72 2.160 0.524 7.228 448 HA PHE 72 HA PHE 72 3.561 1.439 9.596 449 HB3 PHE 72 HB3 PHE 72 4.504 -0.994 8.182 450 HD1 PHE 72 HD1 PHE 72 5.881 0.017 10.429 451 HD2 PHE 72 HD2 PHE 72 2.217 -2.217 10.320 452 HE1 PHE 72 HE1 PHE 72 6.332 -0.871 12.689 453 HE2 PHE 72 HE2 PHE 72 2.614 -3.051 12.628 454 HZ PHE 72 HZ PHE 72 4.698 -2.412 13.780 455 H LEU 73 H LEU 73 4.299 0.923 6.092 456 HA LEU 73 HA LEU 73 7.091 1.446 6.463 457 HB3 LEU 73 HB3 LEU 73 5.432 1.525 3.908 458 HG LEU 73 HG LEU 73 7.657 2.202 3.303 459 HD11 LEU 73 HD11 LEU 73 8.746 -0.153 4.881 460 HD12 LEU 73 HD12 LEU 73 8.896 1.547 5.349 461 HD13 LEU 73 HD13 LEU 73 9.691 0.961 3.873 462 HD21 LEU 73 HD21 LEU 73 8.391 0.234 1.957 463 HD22 LEU 73 HD22 LEU 73 6.610 0.327 1.971 464 HD23 LEU 73 HD23 LEU 73 7.437 -0.844 2.991 465 H CYS 74 H CYS 74 4.239 3.380 5.788 466 HA CYS 74 HA CYS 74 5.635 5.645 4.776 467 HB3 CYS 74 HB3 CYS 74 3.159 4.950 4.481 468 HG CYS 74 HG CYS 74 2.938 6.994 7.103 469 H GLY 75 H GLY 75 5.424 4.514 7.983 470 HA2 GLY 75 HA2 GLY 75 5.743 7.089 9.332 471 HA3 GLY 75 HA3 GLY 75 5.710 5.475 10.061 472 H VAL 76 H VAL 76 7.638 3.999 9.130 473 HA VAL 76 HA VAL 76 9.957 5.077 10.240 474 HB VAL 76 HB VAL 76 9.750 2.725 10.167 475 HG11 VAL 76 HG11 VAL 76 9.545 2.911 7.173 476 HG12 VAL 76 HG12 VAL 76 9.925 1.399 8.050 477 HG13 VAL 76 HG13 VAL 76 8.393 2.231 8.333 478 HG21 VAL 76 HG21 VAL 76 12.064 3.513 10.060 479 HG22 VAL 76 HG22 VAL 76 11.892 1.986 9.190 480 HG23 VAL 76 HG23 VAL 76 12.029 3.485 8.296 481 H MET 77 H MET 77 8.938 5.177 6.815 482 HA MET 77 HA MET 77 11.405 6.096 5.788 483 HB3 MET 77 HB3 MET 77 9.453 5.154 4.504 484 HG3 MET 77 HG3 MET 77 8.388 7.966 4.889 485 HE1 MET 77 HE1 MET 77 7.715 4.505 3.173 486 HE2 MET 77 HE2 MET 77 6.940 4.983 1.647 487 HE3 MET 77 HE3 MET 77 8.675 5.256 1.856 488 H LYS 78 H LYS 78 9.470 7.766 8.008 489 HA LYS 78 HA LYS 78 10.673 10.351 7.172 490 HB3 LYS 78 HB3 LYS 78 8.513 10.869 8.883 491 HG3 LYS 78 HG3 LYS 78 9.368 12.105 6.838 492 HD3 LYS 78 HD3 LYS 78 9.001 10.118 5.215 493 HE3 LYS 78 HE3 LYS 78 6.583 9.689 5.805 494 HZ1 LYS 78 HZ1 LYS 78 5.699 11.882 6.024 495 HZ2 LYS 78 HZ2 LYS 78 5.021 11.257 4.680 496 HZ3 LYS 78 HZ3 LYS 78 6.221 12.354 4.538 497 H THR 79 H THR 79 10.578 7.927 9.717 498 HA THR 79 HA THR 79 11.977 9.571 11.686 499 HB THR 79 HB THR 79 12.186 6.580 11.266 500 HG1 THR 79 HG1 THR 79 9.955 7.947 12.378 501 HG21 THR 79 HG21 THR 79 12.328 6.492 13.687 502 HG22 THR 79 HG22 THR 79 12.027 8.236 13.810 503 HG23 THR 79 HG23 THR 79 13.528 7.642 13.078 504 H TYR 80 H TYR 80 13.169 7.054 9.321 505 HA TYR 80 HA TYR 80 15.772 7.425 10.108 506 HB3 TYR 80 HB3 TYR 80 14.667 5.639 8.534 507 HD1 TYR 80 HD1 TYR 80 13.131 6.845 6.908 508 HD2 TYR 80 HD2 TYR 80 17.414 6.755 6.425 509 HE1 TYR 80 HE1 TYR 80 12.874 7.498 4.522 510 HE2 TYR 80 HE2 TYR 80 17.176 7.426 4.078 511 HH TYR 80 HH TYR 80 14.880 7.009 2.334 512 H ARG 81 H ARG 81 14.134 9.291 7.537 513 HA ARG 81 HA ARG 81 16.284 10.588 6.375 514 HB3 ARG 81 HB3 ARG 81 14.816 12.496 5.899 515 HG3 ARG 81 HG3 ARG 81 13.201 9.956 5.748 516 HD3 ARG 81 HD3 ARG 81 13.200 12.361 3.899 517 HE ARG 81 HE ARG 81 11.769 9.821 3.933 518 HH11 ARG 81 HH11 ARG 81 11.638 13.128 2.702 519 HH12 ARG 81 HH12 ARG 81 10.497 12.808 1.465 520 HH21 ARG 81 HH21 ARG 81 10.606 9.336 2.093 521 HH22 ARG 81 HH22 ARG 81 9.865 10.568 1.110 522 H GLN 82 H GLN 82 14.971 11.252 9.614 523 HA GLN 82 HA GLN 82 15.994 13.852 9.967 524 HB3 GLN 82 HB3 GLN 82 14.315 12.480 11.368 525 HG3 GLN 82 HG3 GLN 82 16.113 10.673 11.866 526 HE21 GLN 82 HE21 GLN 82 17.004 9.902 14.092 527 HE22 GLN 82 HE22 GLN 82 18.327 10.914 14.691 528 H ARG 83 H ARG 83 17.606 10.702 10.348 529 HA ARG 83 HA ARG 83 20.052 11.629 11.532 530 HB3 ARG 83 HB3 ARG 83 21.074 9.646 10.391 531 HG3 ARG 83 HG3 ARG 83 19.594 9.449 12.612 532 HD3 ARG 83 HD3 ARG 83 17.975 8.041 10.541 533 HE ARG 83 HE ARG 83 19.307 6.255 11.711 534 HH11 ARG 83 HH11 ARG 83 16.214 7.184 13.174 535 HH12 ARG 83 HH12 ARG 83 15.784 5.559 13.523 536 HH21 ARG 83 HH21 ARG 83 18.835 4.292 12.316 537 HH22 ARG 83 HH22 ARG 83 17.375 3.806 13.126 538 H GLU 84 H GLU 84 18.974 11.554 8.129 539 HA GLU 84 HA GLU 84 21.576 12.395 7.099 540 HB3 GLU 84 HB3 GLU 84 20.261 12.379 4.914 541 HG3 GLU 84 HG3 GLU 84 19.827 9.860 4.968 542 H LYS 85 H LYS 85 18.231 13.743 6.816 543 HA LYS 85 HA LYS 85 18.931 16.461 7.318 544 HB3 LYS 85 HB3 LYS 85 18.247 16.812 4.632 545 HG3 LYS 85 HG3 LYS 85 20.648 17.235 6.213 546 HD3 LYS 85 HD3 LYS 85 21.024 16.148 3.429 547 HE3 LYS 85 HE3 LYS 85 23.141 17.462 3.264 548 HZ1 LYS 85 HZ1 LYS 85 20.897 19.354 3.294 549 HZ2 LYS 85 HZ2 LYS 85 20.995 18.132 2.164 550 HZ3 LYS 85 HZ3 LYS 85 22.152 19.293 2.269 551 H GLN 86 H GLN 86 17.079 17.938 6.658 552 HA GLN 86 HA GLN 86 14.538 16.551 6.102 553 HB3 GLN 86 HB3 GLN 86 14.923 18.390 8.500 554 HG3 GLN 86 HG3 GLN 86 12.515 16.747 7.592 555 HE21 GLN 86 HE21 GLN 86 11.901 19.729 9.053 556 HE22 GLN 86 HE22 GLN 86 11.596 19.189 10.693 557 H GLY 87 H GLY 87 15.131 17.557 3.994 558 HA2 GLY 87 HA2 GLY 87 13.957 20.257 3.856 559 HA3 GLY 87 HA3 GLY 87 15.591 20.011 3.211 560 H THR 88 H THR 88 12.748 17.801 3.233 561 HA THR 88 HA THR 88 12.482 17.987 0.317 562 HB THR 88 HB THR 88 14.239 16.368 0.487 563 HG1 THR 88 HG1 THR 88 13.296 14.816 -0.675 564 HG21 THR 88 HG21 THR 88 12.550 14.777 2.460 565 HG22 THR 88 HG22 THR 88 14.074 15.615 2.812 566 HG23 THR 88 HG23 THR 88 14.069 14.253 1.707 567 H LYS 89 H LYS 89 10.325 17.956 -0.138 568 HA LYS 89 HA LYS 89 8.729 16.017 1.237 569 HB3 LYS 89 HB3 LYS 89 7.195 18.567 1.051 570 HG3 LYS 89 HG3 LYS 89 7.486 16.379 3.148 571 HD3 LYS 89 HD3 LYS 89 5.336 18.504 2.826 572 HE3 LYS 89 HE3 LYS 89 4.393 16.347 3.570 573 HZ1 LYS 89 HZ1 LYS 89 6.249 15.388 4.701 574 HZ2 LYS 89 HZ2 LYS 89 4.966 15.471 5.674 575 HZ3 LYS 89 HZ3 LYS 89 6.232 16.555 5.863 576 H VAL 90 H VAL 90 7.494 15.014 -0.154 577 HA VAL 90 HA VAL 90 6.452 15.965 -2.629 578 HB VAL 90 HB VAL 90 8.424 13.592 -2.405 579 HG11 VAL 90 HG11 VAL 90 6.473 13.096 -3.893 580 HG12 VAL 90 HG12 VAL 90 6.895 14.489 -4.884 581 HG13 VAL 90 HG13 VAL 90 8.008 13.141 -4.752 582 HG21 VAL 90 HG21 VAL 90 8.665 16.160 -4.035 583 HG22 VAL 90 HG22 VAL 90 9.705 15.662 -2.683 584 HG23 VAL 90 HG23 VAL 90 9.723 14.740 -4.194 585 H ALA 91 H ALA 91 4.394 15.184 -2.151 586 HA ALA 91 HA ALA 91 3.846 12.657 -0.986 587 HB1 ALA 91 HB1 ALA 91 2.697 13.519 1.096 588 HB2 ALA 91 HB2 ALA 91 4.452 13.674 1.182 589 HB3 ALA 91 HB3 ALA 91 3.447 15.098 0.832 590 H ASP 92 H ASP 92 1.674 12.146 -1.311 591 HA ASP 92 HA ASP 92 -0.212 14.060 -2.436 592 HB3 ASP 92 HB3 ASP 92 1.114 13.851 -4.340 593 H SER 93 H SER 93 -2.130 12.818 -3.148 594 HA SER 93 HA SER 93 -2.556 10.065 -2.546 595 HB3 SER 93 HB3 SER 93 -3.699 12.235 -0.696 596 HG SER 93 HG SER 93 -4.440 9.589 -0.226 597 H SER 94 H SER 94 -4.137 9.564 -4.156 598 HA SER 94 HA SER 94 -6.562 11.097 -3.978 599 HB3 SER 94 HB3 SER 94 -5.476 10.965 -6.813 600 HG SER 94 HG SER 94 -7.054 12.554 -7.065 601 H LYS 95 H LYS 95 -7.018 8.981 -3.023 602 HA LYS 95 HA LYS 95 -8.282 7.350 -5.001 603 HB3 LYS 95 HB3 LYS 95 -6.279 6.098 -5.249 604 HG3 LYS 95 HG3 LYS 95 -5.978 6.369 -2.252 605 HD3 LYS 95 HD3 LYS 95 -4.061 4.713 -2.545 606 HE3 LYS 95 HE3 LYS 95 -6.838 3.457 -2.604 607 HZ1 LYS 95 HZ1 LYS 95 -4.373 2.904 -1.072 608 HZ2 LYS 95 HZ2 LYS 95 -5.073 1.897 -2.167 609 HZ3 LYS 95 HZ3 LYS 95 -5.799 2.208 -0.714 610 H GLY 96 H GLY 96 -9.797 5.966 -4.225 611 HA2 GLY 96 HA2 GLY 96 -10.504 5.155 -1.667 612 HA3 GLY 96 HA3 GLY 96 -11.135 6.802 -1.848 613 HA PRO 97 HA PRO 97 -13.366 4.150 -5.266 614 HB3 PRO 97 HB3 PRO 97 -12.075 2.309 -5.930 615 HG3 PRO 97 HG3 PRO 97 -10.701 1.146 -4.358 616 HD3 PRO 97 HD3 PRO 97 -10.014 3.400 -4.132 617 H ASP 98 H ASP 98 -15.536 2.864 -4.983 618 HA ASP 98 HA ASP 98 -15.756 1.203 -2.882 619 HB3 ASP 98 HB3 ASP 98 -17.996 3.006 -2.309 620 H GLU 99 H GLU 99 -17.366 -0.358 -3.554 621 HA GLU 99 HA GLU 99 -19.329 0.569 -5.534 622 HB3 GLU 99 HB3 GLU 99 -17.344 -0.687 -6.341 623 HG3 GLU 99 HG3 GLU 99 -18.442 -2.965 -4.655 624 H ALA 100 H ALA 100 -21.410 -0.019 -5.375 625 HA ALA 100 HA ALA 100 -22.379 -1.764 -3.208 626 HB1 ALA 100 HB1 ALA 100 -21.947 0.366 -2.077 627 HB2 ALA 100 HB2 ALA 100 -22.866 1.235 -3.321 628 HB3 ALA 100 HB3 ALA 100 -23.690 0.102 -2.234 629 H LYS 101 H LYS 101 -22.867 -2.750 -5.397 630 HA LYS 101 HA LYS 101 -25.001 -1.890 -7.021 631 HB3 LYS 101 HB3 LYS 101 -23.392 -3.644 -7.612 632 HG3 LYS 101 HG3 LYS 101 -25.048 -5.570 -5.978 633 HD3 LYS 101 HD3 LYS 101 -22.435 -5.698 -7.404 634 HE3 LYS 101 HE3 LYS 101 -22.811 -6.715 -4.555 635 HZ1 LYS 101 HZ1 LYS 101 -21.811 -8.353 -6.038 636 HZ2 LYS 101 HZ2 LYS 101 -20.832 -7.896 -4.825 637 HZ3 LYS 101 HZ3 LYS 101 -20.549 -7.297 -6.333 638 H ILE 102 H ILE 102 -27.057 -3.424 -7.221 639 HA ILE 102 HA ILE 102 -28.889 -2.894 -5.160 640 HB ILE 102 HB ILE 102 -29.352 -3.399 -7.495 641 HG13 ILE 102 HG13 ILE 102 -31.102 -3.521 -5.732 642 HG21 ILE 102 HG21 ILE 102 -27.817 -5.337 -7.836 643 HG22 ILE 102 HG22 ILE 102 -28.973 -6.358 -6.947 644 HG23 ILE 102 HG23 ILE 102 -29.432 -5.580 -8.463 645 HD11 ILE 102 HD11 ILE 102 -31.652 -5.561 -7.919 646 HD12 ILE 102 HD12 ILE 102 -32.823 -4.605 -7.025 647 HD13 ILE 102 HD13 ILE 102 -31.728 -3.803 -8.151 648 H LYS 103 H LYS 103 -26.976 -5.816 -5.651 649 HA LYS 103 HA LYS 103 -26.394 -7.629 -4.541 650 HB3 LYS 103 HB3 LYS 103 -26.198 -7.633 -2.137 651 HG3 LYS 103 HG3 LYS 103 -25.544 -4.883 -3.237 652 HD3 LYS 103 HD3 LYS 103 -23.503 -5.039 -2.088 653 HE3 LYS 103 HE3 LYS 103 -25.239 -5.808 0.201 654 HZ1 LYS 103 HZ1 LYS 103 -23.227 -4.205 0.129 655 HZ2 LYS 103 HZ2 LYS 103 -24.524 -3.836 1.068 656 HZ3 LYS 103 HZ3 LYS 103 -24.328 -3.110 -0.420 657 H ALA 104 H ALA 104 -29.348 -6.435 -3.112 658 HA ALA 104 HA ALA 104 -30.919 -8.635 -4.102 659 HB1 ALA 104 HB1 ALA 104 -30.670 -8.327 -1.064 660 HB2 ALA 104 HB2 ALA 104 -31.838 -9.359 -1.915 661 HB3 ALA 104 HB3 ALA 104 -30.106 -9.721 -2.015 662 H LEU 105 H LEU 105 -32.812 -7.684 -4.693 663 HA LEU 105 HA LEU 105 -34.339 -6.313 -2.794 664 HB3 LEU 105 HB3 LEU 105 -34.368 -4.794 -5.361 665 HG LEU 105 HG LEU 105 -35.521 -4.499 -2.821 666 HD11 LEU 105 HD11 LEU 105 -34.545 -2.454 -1.867 667 HD12 LEU 105 HD12 LEU 105 -33.273 -2.449 -3.113 668 HD13 LEU 105 HD13 LEU 105 -33.343 -3.760 -1.903 669 HD21 LEU 105 HD21 LEU 105 -35.121 -2.355 -4.940 670 HD22 LEU 105 HD22 LEU 105 -36.327 -2.338 -3.628 671 HD23 LEU 105 HD23 LEU 105 -36.418 -3.579 -4.884 672 H LEU 106 H LEU 106 -36.758 -6.389 -3.735 673 HA LEU 106 HA LEU 106 -37.020 -7.541 -6.336 674 HB3 LEU 106 HB3 LEU 106 -36.791 -9.475 -4.848 675 HG LEU 106 HG LEU 106 -38.082 -8.183 -2.792 676 HD11 LEU 106 HD11 LEU 106 -40.304 -8.238 -3.936 677 HD12 LEU 106 HD12 LEU 106 -40.294 -9.212 -2.465 678 HD13 LEU 106 HD13 LEU 106 -40.190 -10.011 -4.055 679 HD21 LEU 106 HD21 LEU 106 -38.269 -10.385 -1.721 680 HD22 LEU 106 HD22 LEU 106 -36.746 -10.222 -2.596 681 HD23 LEU 106 HD23 LEU 106 -38.063 -11.183 -3.295 682 H GLU 107 H GLU 107 -39.080 -6.961 -7.181 683 HA GLU 107 HA GLU 107 -41.174 -5.985 -5.481 684 HB3 GLU 107 HB3 GLU 107 -40.231 -4.285 -7.817 685 HG3 GLU 107 HG3 GLU 107 -41.814 -3.230 -5.481 686 H ARG 108 H ARG 108 -43.146 -6.143 -6.802 687 HA ARG 108 HA ARG 108 -43.559 -6.289 -9.393 688 HB3 ARG 108 HB3 ARG 108 -42.300 -8.234 -9.926 689 HG3 ARG 108 HG3 ARG 108 -43.794 -9.630 -7.656 690 HD3 ARG 108 HD3 ARG 108 -41.971 -10.718 -9.837 691 HE ARG 108 HE ARG 108 -41.407 -12.228 -8.282 692 HH11 ARG 108 HH11 ARG 108 -44.818 -11.488 -7.762 693 HH12 ARG 108 HH12 ARG 108 -45.084 -12.659 -6.524 694 HH21 ARG 108 HH21 ARG 108 -41.692 -13.808 -6.609 695 HH22 ARG 108 HH22 ARG 108 -43.219 -14.022 -5.844 696 H THR 109 H THR 109 -44.980 -5.319 -7.095 697 HA THR 109 HA THR 109 -47.529 -6.300 -7.511 698 HB THR 109 HB THR 109 -46.737 -8.220 -6.139 699 HG1 THR 109 HG1 THR 109 -48.857 -7.664 -5.924 700 HG21 THR 109 HG21 THR 109 -44.997 -7.138 -4.758 701 HG22 THR 109 HG22 THR 109 -46.194 -8.007 -3.781 702 HG23 THR 109 HG23 THR 109 -46.258 -6.239 -3.889 703 H GLY 110 H GLY 110 -48.933 -4.744 -6.622 704 HA2 GLY 110 HA2 GLY 110 -48.274 -2.714 -4.775 705 HA3 GLY 110 HA3 GLY 110 -48.149 -2.130 -6.465 706 H TYR 111 H TYR 111 -50.103 -0.855 -5.511 707 HA TYR 111 HA TYR 111 -52.660 -2.251 -5.402 708 HB3 TYR 111 HB3 TYR 111 -53.524 0.190 -5.653 709 HD1 TYR 111 HD1 TYR 111 -54.279 -1.712 -3.859 710 HD2 TYR 111 HD2 TYR 111 -51.337 1.389 -3.278 711 HE1 TYR 111 HE1 TYR 111 -54.639 -1.833 -1.405 712 HE2 TYR 111 HE2 TYR 111 -51.713 1.295 -0.841 713 HH TYR 111 HH TYR 111 -53.196 0.491 0.809 714 H THR 112 H THR 112 -54.395 -1.683 -6.904 715 HA THR 112 HA THR 112 -53.729 -0.858 -9.593 716 HB THR 112 HB THR 112 -53.013 -3.236 -9.550 717 HG1 THR 112 HG1 THR 112 -55.338 -2.617 -10.991 718 HG21 THR 112 HG21 THR 112 -54.672 -5.047 -9.330 719 HG22 THR 112 HG22 THR 112 -55.909 -3.882 -8.856 720 HG23 THR 112 HG23 THR 112 -54.504 -4.156 -7.814 721 H LEU 113 H LEU 113 -55.546 -0.031 -7.252 722 HA LEU 113 HA LEU 113 -58.196 -0.541 -8.426 723 HB3 LEU 113 HB3 LEU 113 -57.825 -0.896 -5.453 724 HG LEU 113 HG LEU 113 -59.595 -2.475 -5.605 725 HD11 LEU 113 HD11 LEU 113 -60.434 -0.232 -7.485 726 HD12 LEU 113 HD12 LEU 113 -60.329 -0.102 -5.706 727 HD13 LEU 113 HD13 LEU 113 -61.478 -1.227 -6.458 728 HD21 LEU 113 HD21 LEU 113 -58.858 -3.630 -7.659 729 HD22 LEU 113 HD22 LEU 113 -59.477 -2.294 -8.644 730 HD23 LEU 113 HD23 LEU 113 -60.595 -3.276 -7.683 731 H ASP 114 H ASP 114 -58.856 1.409 -8.817 732 HA ASP 114 HA ASP 114 -57.825 3.776 -8.134 733 HB3 ASP 114 HB3 ASP 114 -59.862 4.766 -9.019 734 H VAL 115 H VAL 115 -60.117 1.995 -6.199 735 HA VAL 115 HA VAL 115 -61.019 4.296 -4.653 736 HB VAL 115 HB VAL 115 -61.627 1.351 -4.165 737 HG11 VAL 115 HG11 VAL 115 -63.250 3.866 -3.618 738 HG12 VAL 115 HG12 VAL 115 -63.833 2.219 -3.391 739 HG13 VAL 115 HG13 VAL 115 -62.522 2.818 -2.411 740 HG21 VAL 115 HG21 VAL 115 -62.129 1.731 -6.538 741 HG22 VAL 115 HG22 VAL 115 -63.637 1.659 -5.636 742 HG23 VAL 115 HG23 VAL 115 -62.984 3.237 -6.142 743 H THR 116 H THR 116 -58.226 2.353 -4.425 744 HA THR 116 HA THR 116 -57.892 2.986 -1.555 745 HB THR 116 HB THR 116 -56.884 0.421 -1.725 746 HG1 THR 116 HG1 THR 116 -58.460 -0.831 -2.664 747 HG21 THR 116 HG21 THR 116 -59.709 1.197 -0.948 748 HG22 THR 116 HG22 THR 116 -58.270 1.335 0.081 749 HG23 THR 116 HG23 THR 116 -58.834 -0.264 -0.430 750 H THR 117 H THR 117 -56.675 4.018 -4.146 751 HA THR 117 HA THR 117 -53.842 3.312 -3.559 752 HB THR 117 HB THR 117 -54.793 2.249 -5.571 753 HG1 THR 117 HG1 THR 117 -52.761 4.146 -5.860 754 HG21 THR 117 HG21 THR 117 -56.315 4.084 -6.321 755 HG22 THR 117 HG22 THR 117 -55.228 3.509 -7.594 756 HG23 THR 117 HG23 THR 117 -54.900 5.043 -6.770 757 H GLY 118 H GLY 118 -55.660 5.770 -2.675 758 HA2 GLY 118 HA2 GLY 118 -53.583 7.699 -2.915 759 HA3 GLY 118 HA3 GLY 118 -55.125 8.180 -3.650 Start of MODEL 18 1 H1 GLY 1 H1 GLY 1 -2.968 -3.261 -14.384 2 HA2 GLY 1 HA2 GLY 1 -4.341 -4.047 -12.484 3 HA3 GLY 1 HA3 GLY 1 -4.022 -5.334 -13.660 4 H SER 2 H SER 2 -4.297 -5.087 -10.469 5 HA SER 2 HA SER 2 -2.767 -7.401 -9.980 6 HB3 SER 2 HB3 SER 2 -1.893 -4.814 -8.731 7 HG SER 2 HG SER 2 -1.390 -7.418 -7.729 8 H GLU 3 H GLU 3 -3.300 -8.122 -7.772 9 HA GLU 3 HA GLU 3 -5.987 -7.682 -6.851 10 HB3 GLU 3 HB3 GLU 3 -4.908 -9.781 -6.410 11 HG3 GLU 3 HG3 GLU 3 -3.234 -9.887 -4.459 12 H ASN 4 H ASN 4 -2.827 -6.411 -5.725 13 HA ASN 4 HA ASN 4 -3.989 -5.145 -3.513 14 HB3 ASN 4 HB3 ASN 4 -1.492 -5.688 -3.943 15 HD21 ASN 4 HD21 ASN 4 -1.119 -5.022 -6.481 16 HD22 ASN 4 HD22 ASN 4 -0.382 -3.435 -6.649 17 H PHE 5 H PHE 5 -4.149 -4.122 -6.733 18 HA PHE 5 HA PHE 5 -3.693 -1.360 -6.683 19 HB3 PHE 5 HB3 PHE 5 -5.653 -3.016 -8.328 20 HD1 PHE 5 HD1 PHE 5 -3.223 -0.178 -8.872 21 HD2 PHE 5 HD2 PHE 5 -7.219 -1.698 -9.489 22 HE1 PHE 5 HE1 PHE 5 -3.732 1.701 -10.393 23 HE2 PHE 5 HE2 PHE 5 -7.692 0.166 -11.036 24 HZ PHE 5 HZ PHE 5 -5.912 1.861 -11.518 25 H GLN 6 H GLN 6 -6.665 -3.184 -6.010 26 HA GLN 6 HA GLN 6 -8.235 -0.775 -5.650 27 HB3 GLN 6 HB3 GLN 6 -8.822 -3.754 -5.220 28 HG3 GLN 6 HG3 GLN 6 -10.517 -2.401 -3.948 29 HE21 GLN 6 HE21 GLN 6 -10.219 -0.012 -3.980 30 HE22 GLN 6 HE22 GLN 6 -11.090 0.979 -5.132 31 H THR 7 H THR 7 -6.229 -2.693 -3.413 32 HA THR 7 HA THR 7 -7.854 -1.770 -1.145 33 HB THR 7 HB THR 7 -6.730 -3.822 -0.771 34 HG1 THR 7 HG1 THR 7 -5.275 -1.944 0.754 35 HG21 THR 7 HG21 THR 7 -4.077 -2.500 -1.314 36 HG22 THR 7 HG22 THR 7 -4.834 -3.927 -2.076 37 HG23 THR 7 HG23 THR 7 -4.274 -4.025 -0.421 38 H LEU 8 H LEU 8 -4.785 -0.789 -2.684 39 HA LEU 8 HA LEU 8 -4.088 1.328 -1.022 40 HB3 LEU 8 HB3 LEU 8 -3.081 2.351 -3.064 41 HG LEU 8 HG LEU 8 -2.855 -0.695 -3.154 42 HD11 LEU 8 HD11 LEU 8 -0.803 -0.213 -4.424 43 HD12 LEU 8 HD12 LEU 8 -1.208 1.518 -4.391 44 HD13 LEU 8 HD13 LEU 8 -2.244 0.344 -5.260 45 HD21 LEU 8 HD21 LEU 8 -0.772 -0.418 -1.942 46 HD22 LEU 8 HD22 LEU 8 -2.126 0.171 -0.981 47 HD23 LEU 8 HD23 LEU 8 -1.044 1.335 -1.798 48 H LEU 9 H LEU 9 -6.317 1.333 -3.756 49 HA LEU 9 HA LEU 9 -7.014 4.039 -3.767 50 HB3 LEU 9 HB3 LEU 9 -9.268 2.723 -4.745 51 HG LEU 9 HG LEU 9 -6.553 3.443 -5.892 52 HD11 LEU 9 HD11 LEU 9 -7.376 1.455 -7.133 53 HD12 LEU 9 HD12 LEU 9 -7.209 2.910 -8.114 54 HD13 LEU 9 HD13 LEU 9 -8.833 2.390 -7.566 55 HD21 LEU 9 HD21 LEU 9 -9.402 4.491 -6.275 56 HD22 LEU 9 HD22 LEU 9 -7.973 5.138 -7.067 57 HD23 LEU 9 HD23 LEU 9 -8.127 5.267 -5.311 58 H ASP 10 H ASP 10 -8.245 1.486 -1.658 59 HA ASP 10 HA ASP 10 -10.355 3.341 -0.733 60 HB3 ASP 10 HB3 ASP 10 -10.028 0.565 0.354 61 H ALA 11 H ALA 11 -7.301 2.177 0.150 62 HA ALA 11 HA ALA 11 -7.457 2.511 3.014 63 HB1 ALA 11 HB1 ALA 11 -5.953 0.935 1.914 64 HB2 ALA 11 HB2 ALA 11 -5.153 2.268 1.043 65 HB3 ALA 11 HB3 ALA 11 -5.016 2.152 2.816 66 H GLY 12 H GLY 12 -7.987 4.804 0.885 67 HA2 GLY 12 HA2 GLY 12 -8.086 7.007 1.391 68 HA3 GLY 12 HA3 GLY 12 -6.741 6.903 2.520 69 H LEU 13 H LEU 13 -6.004 5.369 -0.497 70 HA LEU 13 HA LEU 13 -4.176 7.633 -1.117 71 HB3 LEU 13 HB3 LEU 13 -2.673 6.054 -2.009 72 HG LEU 13 HG LEU 13 -3.971 4.440 0.246 73 HD11 LEU 13 HD11 LEU 13 -1.675 3.543 0.547 74 HD12 LEU 13 HD12 LEU 13 -1.164 4.411 -0.916 75 HD13 LEU 13 HD13 LEU 13 -2.390 3.135 -1.016 76 HD21 LEU 13 HD21 LEU 13 -3.478 6.666 1.136 77 HD22 LEU 13 HD22 LEU 13 -1.832 6.594 0.487 78 HD23 LEU 13 HD23 LEU 13 -2.349 5.476 1.762 79 HA PRO 14 HA PRO 14 -6.506 8.167 -4.745 80 HB3 PRO 14 HB3 PRO 14 -5.511 10.266 -4.716 81 HG3 PRO 14 HG3 PRO 14 -3.113 10.460 -4.489 82 HD3 PRO 14 HD3 PRO 14 -3.898 9.332 -2.565 83 H GLN 15 H GLN 15 -6.809 7.584 -6.943 84 HA GLN 15 HA GLN 15 -5.878 5.187 -7.911 85 HB3 GLN 15 HB3 GLN 15 -6.631 7.486 -9.699 86 HG3 GLN 15 HG3 GLN 15 -6.113 4.916 -10.438 87 HE21 GLN 15 HE21 GLN 15 -7.522 3.203 -11.575 88 HE22 GLN 15 HE22 GLN 15 -8.832 2.610 -10.581 89 H LYS 16 H LYS 16 -4.462 8.426 -8.801 90 HA LYS 16 HA LYS 16 -2.532 7.481 -10.573 91 HB3 LYS 16 HB3 LYS 16 -2.929 9.807 -10.525 92 HG3 LYS 16 HG3 LYS 16 -2.201 9.724 -7.566 93 HD3 LYS 16 HD3 LYS 16 -2.045 11.992 -9.513 94 HE3 LYS 16 HE3 LYS 16 -2.417 13.231 -7.049 95 HZ1 LYS 16 HZ1 LYS 16 -3.264 13.983 -9.150 96 HZ2 LYS 16 HZ2 LYS 16 -4.427 14.078 -7.996 97 HZ3 LYS 16 HZ3 LYS 16 -4.480 12.875 -9.128 98 H VAL 17 H VAL 17 -2.422 7.370 -7.017 99 HA VAL 17 HA VAL 17 0.466 6.875 -7.014 100 HB VAL 17 HB VAL 17 -1.721 6.826 -4.902 101 HG11 VAL 17 HG11 VAL 17 -0.239 5.092 -4.185 102 HG12 VAL 17 HG12 VAL 17 1.192 6.055 -4.567 103 HG13 VAL 17 HG13 VAL 17 0.120 6.529 -3.226 104 HG21 VAL 17 HG21 VAL 17 -0.624 8.805 -3.993 105 HG22 VAL 17 HG22 VAL 17 0.732 8.634 -5.084 106 HG23 VAL 17 HG23 VAL 17 -0.807 9.096 -5.729 107 H ALA 18 H ALA 18 -2.586 4.960 -6.562 108 HA ALA 18 HA ALA 18 -1.377 2.445 -6.284 109 HB1 ALA 18 HB1 ALA 18 -4.061 3.114 -7.594 110 HB2 ALA 18 HB2 ALA 18 -3.585 1.547 -6.914 111 HB3 ALA 18 HB3 ALA 18 -3.784 2.950 -5.847 112 H GLU 19 H GLU 19 -2.315 4.131 -9.246 113 HA GLU 19 HA GLU 19 -1.849 2.214 -11.214 114 HB3 GLU 19 HB3 GLU 19 -1.134 4.475 -12.479 115 HG3 GLU 19 HG3 GLU 19 -3.647 5.157 -12.373 116 H LYS 20 H LYS 20 0.614 4.234 -9.542 117 HA LYS 20 HA LYS 20 2.670 3.200 -11.397 118 HB3 LYS 20 HB3 LYS 20 4.099 4.807 -9.927 119 HG3 LYS 20 HG3 LYS 20 3.328 5.158 -12.300 120 HD3 LYS 20 HD3 LYS 20 1.429 7.306 -11.322 121 HE3 LYS 20 HE3 LYS 20 0.485 6.694 -13.679 122 HZ1 LYS 20 HZ1 LYS 20 2.397 7.752 -14.851 123 HZ2 LYS 20 HZ2 LYS 20 3.168 7.928 -13.439 124 HZ3 LYS 20 HZ3 LYS 20 1.713 8.690 -13.696 125 H LEU 21 H LEU 21 1.233 1.896 -8.815 126 HA LEU 21 HA LEU 21 3.679 0.610 -7.692 127 HB3 LEU 21 HB3 LEU 21 0.920 1.151 -6.562 128 HG LEU 21 HG LEU 21 1.445 -0.861 -5.511 129 HD11 LEU 21 HD11 LEU 21 3.508 -1.290 -4.207 130 HD12 LEU 21 HD12 LEU 21 4.278 0.118 -4.926 131 HD13 LEU 21 HD13 LEU 21 3.829 -1.280 -5.932 132 HD21 LEU 21 HD21 LEU 21 0.953 1.290 -4.082 133 HD22 LEU 21 HD22 LEU 21 2.614 1.136 -3.545 134 HD23 LEU 21 HD23 LEU 21 1.478 -0.193 -3.263 135 H ASP 22 H ASP 22 0.356 -0.076 -8.928 136 HA ASP 22 HA ASP 22 0.383 -2.775 -8.374 137 HB3 ASP 22 HB3 ASP 22 -1.588 -1.697 -9.464 138 H GLU 23 H GLU 23 1.919 -1.404 -11.291 139 HA GLU 23 HA GLU 23 2.449 -3.773 -12.467 140 HB3 GLU 23 HB3 GLU 23 4.336 -1.386 -12.579 141 HG3 GLU 23 HG3 GLU 23 2.912 -2.764 -14.843 142 H ILE 24 H ILE 24 4.173 -2.254 -9.827 143 HA ILE 24 HA ILE 24 6.771 -3.399 -10.118 144 HB ILE 24 HB ILE 24 5.321 -2.576 -7.550 145 HG13 ILE 24 HG13 ILE 24 5.292 -0.699 -9.218 146 HG21 ILE 24 HG21 ILE 24 7.470 -2.326 -6.544 147 HG22 ILE 24 HG22 ILE 24 7.533 -3.878 -7.368 148 HG23 ILE 24 HG23 ILE 24 8.295 -2.499 -8.123 149 HD11 ILE 24 HD11 ILE 24 7.375 -0.100 -7.084 150 HD12 ILE 24 HD12 ILE 24 6.344 1.048 -7.954 151 HD13 ILE 24 HD13 ILE 24 5.629 -0.098 -6.813 152 H TYR 25 H TYR 25 3.712 -4.491 -8.679 153 HA TYR 25 HA TYR 25 4.918 -6.913 -7.513 154 HB3 TYR 25 HB3 TYR 25 2.566 -7.506 -7.024 155 HD1 TYR 25 HD1 TYR 25 4.271 -7.105 -5.026 156 HD2 TYR 25 HD2 TYR 25 1.714 -4.091 -6.762 157 HE1 TYR 25 HE1 TYR 25 4.449 -5.788 -2.960 158 HE2 TYR 25 HE2 TYR 25 1.754 -2.841 -4.619 159 HH TYR 25 HH TYR 25 2.552 -3.699 -1.855 160 H VAL 26 H VAL 26 4.043 -6.130 -10.718 161 HA VAL 26 HA VAL 26 3.418 -8.949 -11.464 162 HB VAL 26 HB VAL 26 3.258 -6.392 -13.104 163 HG11 VAL 26 HG11 VAL 26 2.087 -9.171 -13.593 164 HG12 VAL 26 HG12 VAL 26 1.844 -7.737 -14.607 165 HG13 VAL 26 HG13 VAL 26 3.456 -8.453 -14.475 166 HG21 VAL 26 HG21 VAL 26 1.611 -6.252 -11.271 167 HG22 VAL 26 HG22 VAL 26 0.810 -6.545 -12.800 168 HG23 VAL 26 HG23 VAL 26 1.024 -7.884 -11.658 169 H ALA 27 H ALA 27 5.713 -6.266 -11.916 170 HA ALA 27 HA ALA 27 7.292 -7.440 -13.909 171 HB1 ALA 27 HB1 ALA 27 8.051 -5.349 -11.813 172 HB2 ALA 27 HB2 ALA 27 8.798 -5.592 -13.413 173 HB3 ALA 27 HB3 ALA 27 7.132 -5.001 -13.288 174 H GLY 28 H GLY 28 6.982 -8.967 -11.104 175 HA2 GLY 28 HA2 GLY 28 8.244 -10.464 -9.908 176 HA3 GLY 28 HA3 GLY 28 9.447 -10.386 -11.198 177 H LEU 29 H LEU 29 8.712 -7.355 -9.669 178 HA LEU 29 HA LEU 29 11.378 -7.144 -8.581 179 HB3 LEU 29 HB3 LEU 29 9.939 -4.952 -7.626 180 HG LEU 29 HG LEU 29 11.293 -5.334 -10.312 181 HD11 LEU 29 HD11 LEU 29 10.325 -2.763 -9.030 182 HD12 LEU 29 HD12 LEU 29 9.664 -3.527 -10.501 183 HD13 LEU 29 HD13 LEU 29 11.308 -2.887 -10.503 184 HD21 LEU 29 HD21 LEU 29 12.202 -3.888 -7.771 185 HD22 LEU 29 HD22 LEU 29 13.145 -4.116 -9.260 186 HD23 LEU 29 HD23 LEU 29 12.744 -5.507 -8.262 187 H VAL 30 H VAL 30 8.206 -7.962 -7.267 188 HA VAL 30 HA VAL 30 9.373 -8.540 -4.679 189 HB VAL 30 HB VAL 30 7.401 -7.160 -3.630 190 HG11 VAL 30 HG11 VAL 30 9.823 -5.589 -4.331 191 HG12 VAL 30 HG12 VAL 30 8.844 -5.588 -2.844 192 HG13 VAL 30 HG13 VAL 30 9.847 -6.999 -3.226 193 HG21 VAL 30 HG21 VAL 30 8.061 -5.309 -5.947 194 HG22 VAL 30 HG22 VAL 30 6.548 -6.234 -5.775 195 HG23 VAL 30 HG23 VAL 30 6.962 -5.017 -4.572 196 H ALA 31 H ALA 31 7.857 -9.520 -3.238 197 HA ALA 31 HA ALA 31 5.505 -10.894 -4.412 198 HB1 ALA 31 HB1 ALA 31 6.909 -11.065 -1.696 199 HB2 ALA 31 HB2 ALA 31 5.437 -11.938 -2.134 200 HB3 ALA 31 HB3 ALA 31 6.966 -12.288 -2.977 201 H HIS 32 H HIS 32 3.507 -10.642 -2.889 202 HA HIS 32 HA HIS 32 3.095 -7.796 -2.412 203 HB3 HIS 32 HB3 HIS 32 1.189 -9.167 -3.120 204 HD1 HIS 32 HD1 HIS 32 1.801 -11.877 -3.301 205 HD2 HIS 32 HD2 HIS 32 0.619 -10.366 0.456 206 HE1 HIS 32 HE1 HIS 32 1.614 -13.874 -1.769 207 H SER 33 H SER 33 3.594 -10.633 -0.371 208 HA SER 33 HA SER 33 3.101 -9.408 2.105 209 HB3 SER 33 HB3 SER 33 4.768 -11.898 1.708 210 HG SER 33 HG SER 33 3.257 -12.632 3.319 211 H ASP 34 H ASP 34 5.179 -8.020 0.510 212 HA ASP 34 HA ASP 34 7.686 -8.294 2.053 213 HB3 ASP 34 HB3 ASP 34 8.450 -6.736 0.064 214 H LEU 35 H LEU 35 4.832 -6.420 2.155 215 HA LEU 35 HA LEU 35 6.204 -4.077 3.289 216 HB3 LEU 35 HB3 LEU 35 3.803 -3.219 3.255 217 HG LEU 35 HG LEU 35 3.624 -2.847 0.945 218 HD11 LEU 35 HD11 LEU 35 5.759 -1.747 0.467 219 HD12 LEU 35 HD12 LEU 35 6.606 -2.776 1.633 220 HD13 LEU 35 HD13 LEU 35 5.397 -1.585 2.189 221 HD21 LEU 35 HD21 LEU 35 5.844 -4.744 0.287 222 HD22 LEU 35 HD22 LEU 35 4.909 -3.728 -0.792 223 HD23 LEU 35 HD23 LEU 35 4.105 -5.063 0.051 224 H ASP 36 H ASP 36 4.734 -3.163 5.206 225 HA ASP 36 HA ASP 36 3.899 -5.235 7.051 226 HB3 ASP 36 HB3 ASP 36 5.255 -4.032 8.898 227 H GLU 37 H GLU 37 2.992 -4.095 8.997 228 HA GLU 37 HA GLU 37 0.973 -2.240 8.345 229 HB3 GLU 37 HB3 GLU 37 2.324 -2.934 10.998 230 HG3 GLU 37 HG3 GLU 37 0.586 -1.042 11.075 231 H ARG 38 H ARG 38 4.233 -1.856 9.635 232 HA ARG 38 HA ARG 38 4.029 0.921 10.300 233 HB3 ARG 38 HB3 ARG 38 6.526 0.858 10.320 234 HG3 ARG 38 HG3 ARG 38 6.965 -1.110 11.739 235 HD3 ARG 38 HD3 ARG 38 4.439 0.436 12.386 236 HE ARG 38 HE ARG 38 6.043 -1.078 14.386 237 HH11 ARG 38 HH11 ARG 38 2.793 -0.208 13.145 238 HH12 ARG 38 HH12 ARG 38 1.950 -1.265 14.177 239 HH21 ARG 38 HH21 ARG 38 4.841 -2.378 15.944 240 HH22 ARG 38 HH22 ARG 38 3.141 -2.469 15.804 241 H ALA 39 H ALA 39 4.855 -0.767 7.284 242 HA ALA 39 HA ALA 39 5.657 1.686 5.944 243 HB1 ALA 39 HB1 ALA 39 5.742 0.331 3.910 244 HB2 ALA 39 HB2 ALA 39 6.634 -0.449 5.210 245 HB3 ALA 39 HB3 ALA 39 5.010 -1.047 4.759 246 H ILE 40 H ILE 40 2.588 -0.160 6.364 247 HA ILE 40 HA ILE 40 1.003 1.175 4.402 248 HB ILE 40 HB ILE 40 0.217 0.170 7.154 249 HG13 ILE 40 HG13 ILE 40 -0.762 -1.660 6.121 250 HG21 ILE 40 HG21 ILE 40 -1.568 1.313 4.988 251 HG22 ILE 40 HG22 ILE 40 -2.151 0.254 6.301 252 HG23 ILE 40 HG23 ILE 40 -1.431 1.809 6.679 253 HD11 ILE 40 HD11 ILE 40 0.267 -0.956 3.397 254 HD12 ILE 40 HD12 ILE 40 -0.782 -2.302 3.866 255 HD13 ILE 40 HD13 ILE 40 -1.396 -0.650 3.867 256 H GLU 41 H GLU 41 1.521 2.024 7.902 257 HA GLU 41 HA GLU 41 -0.128 4.292 7.689 258 HB3 GLU 41 HB3 GLU 41 1.537 4.941 9.819 259 HG3 GLU 41 HG3 GLU 41 -0.053 3.780 11.265 260 H ALA 42 H ALA 42 3.374 4.034 7.284 261 HA ALA 42 HA ALA 42 3.838 6.867 6.952 262 HB1 ALA 42 HB1 ALA 42 5.411 4.424 6.057 263 HB2 ALA 42 HB2 ALA 42 6.000 6.111 6.006 264 HB3 ALA 42 HB3 ALA 42 5.619 5.338 7.555 265 H LEU 43 H LEU 43 2.869 4.240 4.765 266 HA LEU 43 HA LEU 43 2.908 5.884 2.362 267 HB3 LEU 43 HB3 LEU 43 1.693 3.724 1.461 268 HG LEU 43 HG LEU 43 4.453 3.493 2.658 269 HD11 LEU 43 HD11 LEU 43 2.875 1.447 1.628 270 HD12 LEU 43 HD12 LEU 43 4.594 1.414 1.962 271 HD13 LEU 43 HD13 LEU 43 4.007 1.832 0.335 272 HD21 LEU 43 HD21 LEU 43 5.347 3.928 0.416 273 HD22 LEU 43 HD22 LEU 43 4.439 5.315 0.987 274 HD23 LEU 43 HD23 LEU 43 3.710 4.213 -0.196 275 H LYS 44 H LYS 44 0.934 6.212 4.956 276 HA LYS 44 HA LYS 44 -1.406 6.799 3.214 277 HB3 LYS 44 HB3 LYS 44 -1.593 6.585 6.211 278 HG3 LYS 44 HG3 LYS 44 -3.375 5.768 3.883 279 HD3 LYS 44 HD3 LYS 44 -3.654 4.571 6.236 280 HE3 LYS 44 HE3 LYS 44 -5.582 5.733 7.407 281 HZ1 LYS 44 HZ1 LYS 44 -2.997 7.151 7.705 282 HZ2 LYS 44 HZ2 LYS 44 -3.364 5.736 8.415 283 HZ3 LYS 44 HZ3 LYS 44 -4.222 7.088 8.798 284 H GLU 45 H GLU 45 1.203 8.365 4.200 285 HA GLU 45 HA GLU 45 -0.241 10.874 4.891 286 HB3 GLU 45 HB3 GLU 45 0.385 9.729 6.972 287 HG3 GLU 45 HG3 GLU 45 3.174 9.681 5.755 288 H PHE 46 H PHE 46 0.606 10.458 2.344 289 HA PHE 46 HA PHE 46 2.939 12.286 2.087 290 HB3 PHE 46 HB3 PHE 46 3.819 10.311 1.227 291 HD1 PHE 46 HD1 PHE 46 0.402 10.507 -0.455 292 HD2 PHE 46 HD2 PHE 46 3.697 8.016 0.801 293 HE1 PHE 46 HE1 PHE 46 -0.887 8.526 -1.085 294 HE2 PHE 46 HE2 PHE 46 2.408 6.034 0.051 295 HZ PHE 46 HZ PHE 46 0.129 6.274 -0.841 296 H ASN 47 H ASN 47 2.773 13.547 0.032 297 HA ASN 47 HA ASN 47 0.057 14.567 -0.354 298 HB3 ASN 47 HB3 ASN 47 2.151 16.028 -0.170 299 HD21 ASN 47 HD21 ASN 47 4.355 15.244 -0.834 300 HD22 ASN 47 HD22 ASN 47 4.762 15.329 -2.499 301 H GLU 48 H GLU 48 0.340 15.237 -3.122 302 HA GLU 48 HA GLU 48 -0.776 13.027 -4.545 303 HB3 GLU 48 HB3 GLU 48 0.437 15.730 -5.229 304 HG3 GLU 48 HG3 GLU 48 -1.266 14.843 -7.336 305 H ASP 49 H ASP 49 2.414 14.655 -4.623 306 HA ASP 49 HA ASP 49 3.474 12.802 -6.617 307 HB3 ASP 49 HB3 ASP 49 5.104 14.855 -5.206 308 H GLY 50 H GLY 50 3.697 13.293 -3.168 309 HA2 GLY 50 HA2 GLY 50 6.254 12.479 -2.625 310 HA3 GLY 50 HA3 GLY 50 4.906 12.289 -1.488 311 H ALA 51 H ALA 51 3.362 10.323 -2.798 312 HA ALA 51 HA ALA 51 4.750 7.943 -2.141 313 HB1 ALA 51 HB1 ALA 51 2.177 8.439 -2.409 314 HB2 ALA 51 HB2 ALA 51 2.459 7.995 -4.095 315 HB3 ALA 51 HB3 ALA 51 2.812 6.824 -2.822 316 H LEU 52 H LEU 52 4.071 9.540 -5.290 317 HA LEU 52 HA LEU 52 4.978 7.516 -7.032 318 HB3 LEU 52 HB3 LEU 52 5.441 9.526 -8.577 319 HG LEU 52 HG LEU 52 3.153 10.354 -8.866 320 HD11 LEU 52 HD11 LEU 52 3.452 7.351 -8.687 321 HD12 LEU 52 HD12 LEU 52 3.729 8.397 -10.090 322 HD13 LEU 52 HD13 LEU 52 2.089 8.178 -9.467 323 HD21 LEU 52 HD21 LEU 52 2.452 10.191 -6.467 324 HD22 LEU 52 HD22 LEU 52 2.211 8.450 -6.728 325 HD23 LEU 52 HD23 LEU 52 1.256 9.652 -7.644 326 H ALA 53 H ALA 53 6.754 10.084 -5.286 327 HA ALA 53 HA ALA 53 9.217 9.800 -6.719 328 HB1 ALA 53 HB1 ALA 53 8.597 10.978 -3.946 329 HB2 ALA 53 HB2 ALA 53 10.096 11.190 -4.875 330 HB3 ALA 53 HB3 ALA 53 8.572 11.856 -5.484 331 H VAL 54 H VAL 54 7.801 8.348 -3.866 332 HA VAL 54 HA VAL 54 10.250 7.094 -2.886 333 HB VAL 54 HB VAL 54 7.314 7.164 -2.107 334 HG11 VAL 54 HG11 VAL 54 7.563 5.900 -0.244 335 HG12 VAL 54 HG12 VAL 54 8.514 4.974 -1.395 336 HG13 VAL 54 HG13 VAL 54 9.337 6.016 -0.196 337 HG21 VAL 54 HG21 VAL 54 8.662 9.212 -1.668 338 HG22 VAL 54 HG22 VAL 54 8.081 8.451 -0.186 339 HG23 VAL 54 HG23 VAL 54 9.778 8.253 -0.691 340 H LEU 55 H LEU 55 7.277 6.132 -4.621 341 HA LEU 55 HA LEU 55 7.684 3.315 -4.739 342 HB3 LEU 55 HB3 LEU 55 6.381 3.545 -6.941 343 HG LEU 55 HG LEU 55 5.103 4.920 -4.550 344 HD11 LEU 55 HD11 LEU 55 3.849 3.732 -7.054 345 HD12 LEU 55 HD12 LEU 55 3.936 5.455 -6.666 346 HD13 LEU 55 HD13 LEU 55 2.958 4.378 -5.662 347 HD21 LEU 55 HD21 LEU 55 5.765 2.686 -3.940 348 HD22 LEU 55 HD22 LEU 55 5.097 2.051 -5.468 349 HD23 LEU 55 HD23 LEU 55 4.022 2.722 -4.212 350 H GLN 56 H GLN 56 8.842 6.003 -6.753 351 HA GLN 56 HA GLN 56 9.819 4.438 -8.861 352 HB3 GLN 56 HB3 GLN 56 10.695 7.183 -7.867 353 HG3 GLN 56 HG3 GLN 56 12.422 6.539 -9.362 354 HE21 GLN 56 HE21 GLN 56 13.146 4.683 -10.490 355 HE22 GLN 56 HE22 GLN 56 12.097 3.742 -11.497 356 H GLN 57 H GLN 57 11.896 5.969 -6.379 357 HA GLN 57 HA GLN 57 14.196 4.557 -7.032 358 HB3 GLN 57 HB3 GLN 57 15.192 5.236 -5.076 359 HG3 GLN 57 HG3 GLN 57 13.006 7.334 -5.143 360 HE21 GLN 57 HE21 GLN 57 13.651 8.887 -3.587 361 HE22 GLN 57 HE22 GLN 57 15.318 9.286 -3.274 362 H PHE 58 H PHE 58 11.520 3.352 -4.988 363 HA PHE 58 HA PHE 58 12.960 1.124 -3.884 364 HB3 PHE 58 HB3 PHE 58 9.995 1.545 -4.489 365 HD1 PHE 58 HD1 PHE 58 9.630 -0.875 -5.113 366 HD2 PHE 58 HD2 PHE 58 11.339 0.298 -1.310 367 HE1 PHE 58 HE1 PHE 58 9.197 -3.110 -4.237 368 HE2 PHE 58 HE2 PHE 58 10.776 -1.917 -0.390 369 HZ PHE 58 HZ PHE 58 9.748 -3.667 -1.897 370 H LYS 59 H LYS 59 11.258 1.549 -6.962 371 HA LYS 59 HA LYS 59 11.360 -1.210 -7.809 372 HB3 LYS 59 HB3 LYS 59 11.331 -0.225 -10.119 373 HG3 LYS 59 HG3 LYS 59 9.331 0.555 -8.049 374 HD3 LYS 59 HD3 LYS 59 9.762 2.404 -10.179 375 HE3 LYS 59 HE3 LYS 59 7.742 0.322 -10.841 376 HZ1 LYS 59 HZ1 LYS 59 6.192 2.052 -10.265 377 HZ2 LYS 59 HZ2 LYS 59 6.341 1.973 -11.887 378 HZ3 LYS 59 HZ3 LYS 59 7.092 3.186 -11.076 379 H ASP 60 H ASP 60 13.736 1.291 -7.528 380 HA ASP 60 HA ASP 60 15.740 -0.203 -9.131 381 HB3 ASP 60 HB3 ASP 60 16.026 2.738 -8.593 382 H SER 61 H SER 61 15.692 -1.390 -6.936 383 HA SER 61 HA SER 61 17.889 -0.376 -5.262 384 HB3 SER 61 HB3 SER 61 16.477 -1.162 -3.266 385 HG SER 61 HG SER 61 15.481 1.044 -4.781 386 H ASP 62 H ASP 62 18.666 -2.109 -3.732 387 HA ASP 62 HA ASP 62 19.074 -4.596 -5.192 388 HB3 ASP 62 HB3 ASP 62 19.944 -4.038 -2.324 389 H LEU 63 H LEU 63 17.247 -5.738 -5.339 390 HA LEU 63 HA LEU 63 16.068 -6.677 -2.768 391 HB3 LEU 63 HB3 LEU 63 13.981 -6.775 -3.549 392 HG LEU 63 HG LEU 63 14.932 -4.431 -5.255 393 HD11 LEU 63 HD11 LEU 63 12.185 -5.004 -4.141 394 HD12 LEU 63 HD12 LEU 63 12.722 -5.177 -5.815 395 HD13 LEU 63 HD13 LEU 63 12.702 -3.572 -5.077 396 HD21 LEU 63 HD21 LEU 63 14.556 -4.616 -2.286 397 HD22 LEU 63 HD22 LEU 63 13.862 -3.174 -3.101 398 HD23 LEU 63 HD23 LEU 63 15.561 -3.552 -3.244 399 H SER 64 H SER 64 18.486 -7.508 -3.715 400 HA SER 64 HA SER 64 18.042 -10.199 -4.866 401 HB3 SER 64 HB3 SER 64 20.506 -10.196 -5.059 402 HG SER 64 HG SER 64 19.115 -7.974 -6.204 403 H HIS 65 H HIS 65 19.640 -8.502 -2.066 404 HA HIS 65 HA HIS 65 19.318 -11.045 -0.513 405 HB3 HIS 65 HB3 HIS 65 21.752 -9.242 -0.489 406 HD1 HIS 65 HD1 HIS 65 20.351 -12.662 0.734 407 HD2 HIS 65 HD2 HIS 65 23.724 -10.149 1.009 408 HE1 HIS 65 HE1 HIS 65 21.855 -13.651 2.548 409 H VAL 66 H VAL 66 18.092 -8.074 -0.523 410 HA VAL 66 HA VAL 66 18.510 -6.982 2.022 411 HB VAL 66 HB VAL 66 17.386 -5.897 0.090 412 HG11 VAL 66 HG11 VAL 66 15.933 -7.858 -0.572 413 HG12 VAL 66 HG12 VAL 66 14.855 -7.385 0.756 414 HG13 VAL 66 HG13 VAL 66 15.213 -6.255 -0.587 415 HG21 VAL 66 HG21 VAL 66 15.729 -5.946 2.649 416 HG22 VAL 66 HG22 VAL 66 17.126 -4.905 2.314 417 HG23 VAL 66 HG23 VAL 66 15.624 -4.711 1.396 418 H GLN 67 H GLN 67 17.963 -7.617 4.073 419 HA GLN 67 HA GLN 67 16.428 -10.035 4.522 420 HB3 GLN 67 HB3 GLN 67 16.569 -8.626 6.974 421 HG3 GLN 67 HG3 GLN 67 18.373 -10.707 5.708 422 HE21 GLN 67 HE21 GLN 67 17.384 -10.108 9.194 423 HE22 GLN 67 HE22 GLN 67 19.062 -10.030 9.693 424 H ASN 68 H ASN 68 15.782 -6.592 5.444 425 HA ASN 68 HA ASN 68 12.907 -7.324 5.737 426 HB3 ASN 68 HB3 ASN 68 14.375 -4.825 6.612 427 HD21 ASN 68 HD21 ASN 68 12.897 -4.234 8.821 428 HD22 ASN 68 HD22 ASN 68 11.193 -4.066 8.432 429 H LYS 69 H LYS 69 11.873 -7.150 3.814 430 HA LYS 69 HA LYS 69 12.729 -5.346 1.758 431 HB3 LYS 69 HB3 LYS 69 10.182 -5.816 1.039 432 HG3 LYS 69 HG3 LYS 69 11.048 -8.331 0.493 433 HD3 LYS 69 HD3 LYS 69 10.427 -6.543 -1.113 434 HE3 LYS 69 HE3 LYS 69 12.373 -5.491 -2.276 435 HZ1 LYS 69 HZ1 LYS 69 10.986 -4.134 -0.748 436 HZ2 LYS 69 HZ2 LYS 69 12.495 -3.560 -1.003 437 HZ3 LYS 69 HZ3 LYS 69 12.094 -4.288 0.415 438 H SER 70 H SER 70 10.001 -5.079 4.149 439 HA SER 70 HA SER 70 8.886 -2.819 2.998 440 HB3 SER 70 HB3 SER 70 7.922 -4.425 4.740 441 HG SER 70 HG SER 70 8.447 -4.229 6.766 442 H ALA 71 H ALA 71 11.372 -3.070 5.503 443 HA ALA 71 HA ALA 71 11.540 -0.380 6.257 444 HB1 ALA 71 HB1 ALA 71 13.893 -0.955 6.872 445 HB2 ALA 71 HB2 ALA 71 12.684 -2.049 7.527 446 HB3 ALA 71 HB3 ALA 71 13.668 -2.542 6.110 447 H PHE 72 H PHE 72 12.928 -1.932 3.346 448 HA PHE 72 HA PHE 72 14.714 0.159 2.683 449 HB3 PHE 72 HB3 PHE 72 13.247 -1.327 0.505 450 HD1 PHE 72 HD1 PHE 72 15.444 1.134 0.649 451 HD2 PHE 72 HD2 PHE 72 15.637 -3.114 -0.129 452 HE1 PHE 72 HE1 PHE 72 17.498 1.452 -0.666 453 HE2 PHE 72 HE2 PHE 72 17.730 -2.774 -1.350 454 HZ PHE 72 HZ PHE 72 18.691 -0.508 -1.619 455 H LEU 73 H LEU 73 11.170 -0.210 2.175 456 HA LEU 73 HA LEU 73 10.973 2.064 0.391 457 HB3 LEU 73 HB3 LEU 73 8.821 0.632 1.995 458 HG LEU 73 HG LEU 73 8.033 2.741 0.893 459 HD11 LEU 73 HD11 LEU 73 7.840 2.818 -1.573 460 HD12 LEU 73 HD12 LEU 73 8.794 1.340 -1.707 461 HD13 LEU 73 HD13 LEU 73 9.543 2.831 -1.089 462 HD21 LEU 73 HD21 LEU 73 6.580 0.762 1.192 463 HD22 LEU 73 HD22 LEU 73 7.088 0.134 -0.385 464 HD23 LEU 73 HD23 LEU 73 6.164 1.644 -0.297 465 H CYS 74 H CYS 74 10.406 1.408 3.846 466 HA CYS 74 HA CYS 74 9.540 4.035 4.592 467 HB3 CYS 74 HB3 CYS 74 11.096 2.720 6.682 468 HG CYS 74 HG CYS 74 9.064 2.488 8.148 469 H GLY 75 H GLY 75 12.800 2.633 4.249 470 HA2 GLY 75 HA2 GLY 75 14.367 4.740 5.155 471 HA3 GLY 75 HA3 GLY 75 14.812 3.605 3.868 472 H VAL 76 H VAL 76 13.337 4.176 1.683 473 HA VAL 76 HA VAL 76 14.324 6.739 0.904 474 HB VAL 76 HB VAL 76 14.176 5.213 -0.811 475 HG11 VAL 76 HG11 VAL 76 11.199 4.924 -0.369 476 HG12 VAL 76 HG12 VAL 76 12.108 4.282 -1.753 477 HG13 VAL 76 HG13 VAL 76 12.444 3.688 -0.123 478 HG21 VAL 76 HG21 VAL 76 12.912 6.419 -2.522 479 HG22 VAL 76 HG22 VAL 76 11.957 7.245 -1.299 480 HG23 VAL 76 HG23 VAL 76 13.698 7.558 -1.424 481 H MET 77 H MET 77 11.079 5.809 2.172 482 HA MET 77 HA MET 77 9.849 8.322 1.705 483 HB3 MET 77 HB3 MET 77 8.552 7.898 3.800 484 HG3 MET 77 HG3 MET 77 8.579 5.528 1.996 485 HE1 MET 77 HE1 MET 77 6.945 3.767 2.614 486 HE2 MET 77 HE2 MET 77 7.615 4.237 4.197 487 HE3 MET 77 HE3 MET 77 5.892 3.947 4.029 488 H LYS 78 H LYS 78 11.629 7.299 4.662 489 HA LYS 78 HA LYS 78 11.476 10.018 5.727 490 HB3 LYS 78 HB3 LYS 78 13.313 9.108 7.339 491 HG3 LYS 78 HG3 LYS 78 10.875 9.479 7.808 492 HD3 LYS 78 HD3 LYS 78 10.205 7.290 6.377 493 HE3 LYS 78 HE3 LYS 78 11.562 5.862 8.122 494 HZ1 LYS 78 HZ1 LYS 78 10.150 5.162 9.927 495 HZ2 LYS 78 HZ2 LYS 78 8.965 6.242 9.512 496 HZ3 LYS 78 HZ3 LYS 78 10.409 6.778 10.091 497 H THR 79 H THR 79 13.680 8.571 3.473 498 HA THR 79 HA THR 79 15.692 10.633 3.746 499 HB THR 79 HB THR 79 15.046 8.734 1.452 500 HG1 THR 79 HG1 THR 79 15.679 7.814 3.484 501 HG21 THR 79 HG21 THR 79 16.347 10.592 0.590 502 HG22 THR 79 HG22 THR 79 17.420 9.202 0.771 503 HG23 THR 79 HG23 THR 79 17.458 10.516 1.970 504 H TYR 80 H TYR 80 13.034 10.132 1.216 505 HA TYR 80 HA TYR 80 13.846 12.539 -0.030 506 HB3 TYR 80 HB3 TYR 80 12.371 10.473 -0.899 507 HD1 TYR 80 HD1 TYR 80 10.483 10.153 0.910 508 HD2 TYR 80 HD2 TYR 80 10.370 13.077 -2.181 509 HE1 TYR 80 HE1 TYR 80 8.071 10.624 1.459 510 HE2 TYR 80 HE2 TYR 80 8.026 13.576 -1.699 511 HH TYR 80 HH TYR 80 6.457 13.510 0.306 512 H ARG 81 H ARG 81 11.476 11.914 2.530 513 HA ARG 81 HA ARG 81 10.131 14.380 2.540 514 HB3 ARG 81 HB3 ARG 81 9.799 13.955 5.021 515 HG3 ARG 81 HG3 ARG 81 9.222 11.748 3.048 516 HD3 ARG 81 HD3 ARG 81 7.791 12.204 5.681 517 HE ARG 81 HE ARG 81 7.857 9.623 4.328 518 HH11 ARG 81 HH11 ARG 81 5.962 12.616 4.610 519 HH12 ARG 81 HH12 ARG 81 4.447 11.847 4.247 520 HH21 ARG 81 HH21 ARG 81 5.792 8.573 3.933 521 HH22 ARG 81 HH22 ARG 81 4.382 9.515 3.896 522 H GLN 82 H GLN 82 13.530 13.892 3.240 523 HA GLN 82 HA GLN 82 14.043 16.123 4.904 524 HB3 GLN 82 HB3 GLN 82 15.679 14.331 4.050 525 HG3 GLN 82 HG3 GLN 82 16.127 16.404 1.862 526 HE21 GLN 82 HE21 GLN 82 16.631 12.904 2.538 527 HE22 GLN 82 HE22 GLN 82 18.333 12.895 1.995 528 H ARG 83 H ARG 83 13.381 15.920 1.379 529 HA ARG 83 HA ARG 83 13.878 18.744 0.893 530 HB3 ARG 83 HB3 ARG 83 12.801 18.167 -1.340 531 HG3 ARG 83 HG3 ARG 83 15.273 17.049 -0.354 532 HD3 ARG 83 HD3 ARG 83 14.182 14.848 -0.818 533 HE ARG 83 HE ARG 83 12.748 15.370 -2.703 534 HH11 ARG 83 HH11 ARG 83 16.216 15.232 -3.677 535 HH12 ARG 83 HH12 ARG 83 15.836 14.572 -5.227 536 HH21 ARG 83 HH21 ARG 83 12.325 14.709 -4.848 537 HH22 ARG 83 HH22 ARG 83 13.593 14.559 -5.993 538 H GLU 84 H GLU 84 11.188 16.963 2.184 539 HA GLU 84 HA GLU 84 9.189 18.955 1.259 540 HB3 GLU 84 HB3 GLU 84 7.527 17.434 2.202 541 HG3 GLU 84 HG3 GLU 84 9.011 15.382 0.669 542 H LYS 85 H LYS 85 9.568 17.192 4.372 543 HA LYS 85 HA LYS 85 9.752 19.665 5.871 544 HB3 LYS 85 HB3 LYS 85 7.166 18.205 6.388 545 HG3 LYS 85 HG3 LYS 85 6.322 20.489 6.693 546 HD3 LYS 85 HD3 LYS 85 8.973 20.145 8.153 547 HE3 LYS 85 HE3 LYS 85 6.607 21.994 8.676 548 HZ1 LYS 85 HZ1 LYS 85 7.784 21.248 10.675 549 HZ2 LYS 85 HZ2 LYS 85 8.004 22.871 10.381 550 HZ3 LYS 85 HZ3 LYS 85 9.213 21.790 10.068 551 H GLN 86 H GLN 86 11.494 18.746 6.775 552 HA GLN 86 HA GLN 86 11.846 16.130 7.831 553 HB3 GLN 86 HB3 GLN 86 13.196 18.583 9.010 554 HG3 GLN 86 HG3 GLN 86 15.242 17.199 8.109 555 HE21 GLN 86 HE21 GLN 86 15.809 18.151 10.167 556 HE22 GLN 86 HE22 GLN 86 15.432 17.372 11.671 557 H GLY 87 H GLY 87 10.944 15.153 9.529 558 HA2 GLY 87 HA2 GLY 87 10.495 16.147 12.099 559 HA3 GLY 87 HA3 GLY 87 9.037 16.539 11.189 560 H THR 88 H THR 88 10.968 13.631 10.427 561 HA THR 88 HA THR 88 9.363 11.897 12.133 562 HB THR 88 HB THR 88 9.099 11.836 9.142 563 HG1 THR 88 HG1 THR 88 7.756 13.035 10.955 564 HG21 THR 88 HG21 THR 88 7.577 9.862 9.533 565 HG22 THR 88 HG22 THR 88 8.119 9.804 11.216 566 HG23 THR 88 HG23 THR 88 9.268 9.497 9.894 567 H LYS 89 H LYS 89 10.822 10.688 12.921 568 HA LYS 89 HA LYS 89 13.358 10.030 11.567 569 HB3 LYS 89 HB3 LYS 89 13.299 10.827 13.935 570 HG3 LYS 89 HG3 LYS 89 12.161 8.054 14.540 571 HD3 LYS 89 HD3 LYS 89 13.552 10.024 16.211 572 HE3 LYS 89 HE3 LYS 89 11.235 10.702 16.680 573 HZ1 LYS 89 HZ1 LYS 89 10.329 8.299 16.358 574 HZ2 LYS 89 HZ2 LYS 89 9.652 9.326 17.423 575 HZ3 LYS 89 HZ3 LYS 89 10.648 8.170 18.003 576 H VAL 90 H VAL 90 13.957 7.557 12.649 577 HA VAL 90 HA VAL 90 12.263 5.758 10.998 578 HB VAL 90 HB VAL 90 14.367 4.647 10.461 579 HG11 VAL 90 HG11 VAL 90 14.375 7.635 9.788 580 HG12 VAL 90 HG12 VAL 90 15.208 6.365 8.890 581 HG13 VAL 90 HG13 VAL 90 13.446 6.371 8.954 582 HG21 VAL 90 HG21 VAL 90 15.812 7.005 11.773 583 HG22 VAL 90 HG22 VAL 90 15.744 5.339 12.415 584 HG23 VAL 90 HG23 VAL 90 16.540 5.662 10.880 585 H ALA 91 H ALA 91 12.151 6.305 13.910 586 HA ALA 91 HA ALA 91 12.931 3.828 15.270 587 HB1 ALA 91 HB1 ALA 91 13.007 6.010 16.423 588 HB2 ALA 91 HB2 ALA 91 11.248 6.171 16.256 589 HB3 ALA 91 HB3 ALA 91 11.910 4.886 17.241 590 H ASP 92 H ASP 92 11.631 2.861 13.270 591 HA ASP 92 HA ASP 92 9.008 1.971 14.268 592 HB3 ASP 92 HB3 ASP 92 8.590 3.767 12.605 593 H SER 93 H SER 93 8.550 -0.090 13.854 594 HA SER 93 HA SER 93 9.317 -1.780 11.767 595 HB3 SER 93 HB3 SER 93 10.661 -3.400 13.337 596 HG SER 93 HG SER 93 11.732 -1.021 12.251 597 H SER 94 H SER 94 7.882 -3.589 11.884 598 HA SER 94 HA SER 94 7.881 -5.292 13.897 599 HB3 SER 94 HB3 SER 94 5.052 -4.280 14.099 600 HG SER 94 HG SER 94 5.053 -5.826 15.556 601 H LYS 95 H LYS 95 7.416 -7.142 12.880 602 HA LYS 95 HA LYS 95 5.500 -7.123 10.588 603 HB3 LYS 95 HB3 LYS 95 8.035 -8.748 11.064 604 HG3 LYS 95 HG3 LYS 95 5.860 -9.046 8.951 605 HD3 LYS 95 HD3 LYS 95 8.702 -10.167 8.951 606 HE3 LYS 95 HE3 LYS 95 6.180 -10.800 7.481 607 HZ1 LYS 95 HZ1 LYS 95 7.396 -9.764 5.797 608 HZ2 LYS 95 HZ2 LYS 95 7.323 -11.357 5.481 609 HZ3 LYS 95 HZ3 LYS 95 8.741 -10.689 6.018 610 H GLY 96 H GLY 96 3.582 -8.056 11.212 611 HA2 GLY 96 HA2 GLY 96 3.623 -10.820 12.038 612 HA3 GLY 96 HA3 GLY 96 3.072 -9.767 13.338 613 HA PRO 97 HA PRO 97 -0.160 -8.963 9.897 614 HB3 PRO 97 HB3 PRO 97 0.934 -8.805 7.855 615 HG3 PRO 97 HG3 PRO 97 2.589 -10.429 7.203 616 HD3 PRO 97 HD3 PRO 97 3.333 -9.502 9.242 617 H ASP 98 H ASP 98 -2.082 -10.092 8.894 618 HA ASP 98 HA ASP 98 -2.590 -12.872 9.614 619 HB3 ASP 98 HB3 ASP 98 -2.882 -11.844 11.781 620 H GLU 99 H GLU 99 -3.404 -13.439 7.620 621 HA GLU 99 HA GLU 99 -5.904 -12.147 6.768 622 HB3 GLU 99 HB3 GLU 99 -3.650 -12.746 4.824 623 HG3 GLU 99 HG3 GLU 99 -5.855 -10.943 3.996 624 H ALA 100 H ALA 100 -7.307 -13.673 5.818 625 HA ALA 100 HA ALA 100 -6.477 -16.540 5.863 626 HB1 ALA 100 HB1 ALA 100 -8.510 -17.087 7.139 627 HB2 ALA 100 HB2 ALA 100 -7.451 -16.002 8.047 628 HB3 ALA 100 HB3 ALA 100 -8.908 -15.357 7.275 629 H LYS 101 H LYS 101 -9.434 -14.527 5.224 630 HA LYS 101 HA LYS 101 -9.817 -15.828 2.643 631 HB3 LYS 101 HB3 LYS 101 -11.016 -17.051 4.398 632 HG3 LYS 101 HG3 LYS 101 -12.816 -14.609 4.493 633 HD3 LYS 101 HD3 LYS 101 -12.623 -17.103 6.231 634 HE3 LYS 101 HE3 LYS 101 -14.196 -14.504 6.466 635 HZ1 LYS 101 HZ1 LYS 101 -14.744 -17.072 7.826 636 HZ2 LYS 101 HZ2 LYS 101 -15.747 -16.275 6.785 637 HZ3 LYS 101 HZ3 LYS 101 -15.424 -15.620 8.234 638 H ILE 102 H ILE 102 -10.778 -14.417 1.075 639 HA ILE 102 HA ILE 102 -11.550 -11.700 2.050 640 HB ILE 102 HB ILE 102 -9.853 -12.266 -0.420 641 HG13 ILE 102 HG13 ILE 102 -8.977 -11.748 2.428 642 HG21 ILE 102 HG21 ILE 102 -11.170 -10.201 -0.491 643 HG22 ILE 102 HG22 ILE 102 -10.525 -9.711 1.101 644 HG23 ILE 102 HG23 ILE 102 -9.455 -9.828 -0.313 645 HD11 ILE 102 HD11 ILE 102 -7.371 -13.014 0.177 646 HD12 ILE 102 HD12 ILE 102 -7.245 -13.277 1.929 647 HD13 ILE 102 HD13 ILE 102 -8.563 -13.989 1.038 648 H LYS 103 H LYS 103 -11.543 -13.893 -0.806 649 HA LYS 103 HA LYS 103 -13.838 -12.803 -2.038 650 HB3 LYS 103 HB3 LYS 103 -13.573 -15.674 -2.537 651 HG3 LYS 103 HG3 LYS 103 -12.657 -14.963 -4.697 652 HD3 LYS 103 HD3 LYS 103 -14.915 -13.005 -4.245 653 HE3 LYS 103 HE3 LYS 103 -15.696 -14.094 -6.355 654 HZ1 LYS 103 HZ1 LYS 103 -13.869 -13.423 -7.798 655 HZ2 LYS 103 HZ2 LYS 103 -12.894 -13.128 -6.486 656 HZ3 LYS 103 HZ3 LYS 103 -14.247 -12.252 -6.742 657 H ALA 104 H ALA 104 -13.682 -14.641 0.878 658 HA ALA 104 HA ALA 104 -16.474 -15.627 0.675 659 HB1 ALA 104 HB1 ALA 104 -16.043 -16.560 2.908 660 HB2 ALA 104 HB2 ALA 104 -14.827 -17.098 1.730 661 HB3 ALA 104 HB3 ALA 104 -14.427 -15.825 2.912 662 H LEU 105 H LEU 105 -17.020 -13.217 0.236 663 HA LEU 105 HA LEU 105 -18.176 -12.180 2.669 664 HB3 LEU 105 HB3 LEU 105 -16.469 -10.061 1.387 665 HG LEU 105 HG LEU 105 -16.961 -10.926 4.275 666 HD11 LEU 105 HD11 LEU 105 -14.769 -9.784 3.791 667 HD12 LEU 105 HD12 LEU 105 -15.844 -8.856 4.867 668 HD13 LEU 105 HD13 LEU 105 -15.689 -8.419 3.150 669 HD21 LEU 105 HD21 LEU 105 -18.289 -8.816 4.421 670 HD22 LEU 105 HD22 LEU 105 -19.027 -9.980 3.323 671 HD23 LEU 105 HD23 LEU 105 -18.125 -8.592 2.668 672 H LEU 106 H LEU 106 -20.257 -12.100 1.707 673 HA LEU 106 HA LEU 106 -20.785 -10.024 -0.131 674 HB3 LEU 106 HB3 LEU 106 -21.809 -12.616 -1.239 675 HG LEU 106 HG LEU 106 -21.853 -9.977 -2.045 676 HD11 LEU 106 HD11 LEU 106 -20.377 -9.700 -3.961 677 HD12 LEU 106 HD12 LEU 106 -19.585 -11.244 -3.609 678 HD13 LEU 106 HD13 LEU 106 -19.459 -9.888 -2.463 679 HD21 LEU 106 HD21 LEU 106 -22.580 -10.760 -4.243 680 HD22 LEU 106 HD22 LEU 106 -23.311 -11.678 -2.928 681 HD23 LEU 106 HD23 LEU 106 -21.989 -12.398 -3.870 682 H GLU 107 H GLU 107 -23.433 -10.219 -0.643 683 HA GLU 107 HA GLU 107 -24.787 -11.996 1.202 684 HB3 GLU 107 HB3 GLU 107 -24.249 -9.858 2.500 685 HG3 GLU 107 HG3 GLU 107 -25.597 -8.564 0.261 686 H ARG 108 H ARG 108 -27.367 -11.112 0.909 687 HA ARG 108 HA ARG 108 -28.253 -10.180 -1.528 688 HB3 ARG 108 HB3 ARG 108 -27.315 -11.950 -2.805 689 HG3 ARG 108 HG3 ARG 108 -28.447 -13.850 -0.710 690 HD3 ARG 108 HD3 ARG 108 -29.093 -14.839 -2.812 691 HE ARG 108 HE ARG 108 -27.073 -13.450 -4.002 692 HH11 ARG 108 HH11 ARG 108 -27.643 -16.978 -3.929 693 HH12 ARG 108 HH12 ARG 108 -27.129 -17.232 -5.528 694 HH21 ARG 108 HH21 ARG 108 -26.333 -13.804 -6.163 695 HH22 ARG 108 HH22 ARG 108 -26.294 -15.400 -6.797 696 H THR 109 H THR 109 -29.346 -9.779 1.062 697 HA THR 109 HA THR 109 -31.978 -10.939 0.638 698 HB THR 109 HB THR 109 -30.962 -12.737 1.814 699 HG1 THR 109 HG1 THR 109 -32.371 -12.809 3.539 700 HG21 THR 109 HG21 THR 109 -30.050 -12.598 4.067 701 HG22 THR 109 HG22 THR 109 -30.193 -10.824 4.044 702 HG23 THR 109 HG23 THR 109 -29.083 -11.655 2.927 703 H GLY 110 H GLY 110 -33.353 -9.479 0.914 704 HA2 GLY 110 HA2 GLY 110 -33.957 -7.929 3.092 705 HA3 GLY 110 HA3 GLY 110 -32.864 -6.895 2.156 706 H TYR 111 H TYR 111 -35.895 -8.899 1.785 707 HA TYR 111 HA TYR 111 -37.202 -6.691 0.482 708 HB3 TYR 111 HB3 TYR 111 -37.798 -8.973 -1.191 709 HD1 TYR 111 HD1 TYR 111 -35.016 -6.710 -2.112 710 HD2 TYR 111 HD2 TYR 111 -39.298 -7.273 -2.153 711 HE1 TYR 111 HE1 TYR 111 -35.236 -4.895 -3.782 712 HE2 TYR 111 HE2 TYR 111 -39.528 -5.452 -3.793 713 HH TYR 111 HH TYR 111 -38.417 -3.794 -4.982 714 H THR 112 H THR 112 -39.470 -6.839 1.031 715 HA THR 112 HA THR 112 -40.390 -9.355 2.245 716 HB THR 112 HB THR 112 -40.569 -7.251 3.484 717 HG1 THR 112 HG1 THR 112 -42.721 -7.609 4.093 718 HG21 THR 112 HG21 THR 112 -41.513 -5.315 2.730 719 HG22 THR 112 HG22 THR 112 -42.919 -6.133 2.069 720 HG23 THR 112 HG23 THR 112 -41.436 -6.046 1.119 721 H LEU 113 H LEU 113 -43.013 -9.065 1.698 722 HA LEU 113 HA LEU 113 -43.394 -9.834 -1.122 723 HB3 LEU 113 HB3 LEU 113 -45.638 -9.353 0.834 724 HG LEU 113 HG LEU 113 -45.883 -10.359 -1.585 725 HD11 LEU 113 HD11 LEU 113 -44.907 -12.822 -0.072 726 HD12 LEU 113 HD12 LEU 113 -44.026 -12.005 -1.377 727 HD13 LEU 113 HD13 LEU 113 -45.573 -12.792 -1.720 728 HD21 LEU 113 HD21 LEU 113 -47.069 -11.776 0.837 729 HD22 LEU 113 HD22 LEU 113 -47.694 -11.860 -0.829 730 HD23 LEU 113 HD23 LEU 113 -47.710 -10.322 0.038 731 H ASP 114 H ASP 114 -45.755 -8.630 -1.822 732 HA ASP 114 HA ASP 114 -45.216 -5.765 -2.074 733 HB3 ASP 114 HB3 ASP 114 -47.493 -7.503 -3.100 734 H VAL 115 H VAL 115 -45.223 -5.869 0.340 735 HA VAL 115 HA VAL 115 -47.780 -4.810 1.286 736 HB VAL 115 HB VAL 115 -47.831 -6.013 3.378 737 HG11 VAL 115 HG11 VAL 115 -48.519 -8.228 2.738 738 HG12 VAL 115 HG12 VAL 115 -49.068 -7.057 1.526 739 HG13 VAL 115 HG13 VAL 115 -47.673 -8.091 1.181 740 HG21 VAL 115 HG21 VAL 115 -46.346 -7.933 3.871 741 HG22 VAL 115 HG22 VAL 115 -45.385 -7.543 2.419 742 HG23 VAL 115 HG23 VAL 115 -45.488 -6.395 3.767 743 H THR 116 H THR 116 -47.197 -4.095 3.832 744 HA THR 116 HA THR 116 -44.944 -2.290 3.658 745 HB THR 116 HB THR 116 -46.242 -1.528 5.837 746 HG1 THR 116 HG1 THR 116 -48.602 -1.966 5.082 747 HG21 THR 116 HG21 THR 116 -47.699 -0.131 4.401 748 HG22 THR 116 HG22 THR 116 -47.412 -1.241 3.030 749 HG23 THR 116 HG23 THR 116 -46.080 -0.276 3.693 750 H THR 117 H THR 117 -43.258 -3.490 4.043 751 HA THR 117 HA THR 117 -42.970 -4.222 6.900 752 HB THR 117 HB THR 117 -41.520 -5.877 4.815 753 HG1 THR 117 HG1 THR 117 -44.122 -6.057 5.749 754 HG21 THR 117 HG21 THR 117 -42.205 -6.396 7.733 755 HG22 THR 117 HG22 THR 117 -40.604 -5.925 7.107 756 HG23 THR 117 HG23 THR 117 -41.301 -7.486 6.652 757 H GLY 118 H GLY 118 -41.310 -3.045 7.825 758 HA2 GLY 118 HA2 GLY 118 -38.832 -2.470 6.828 759 HA3 GLY 118 HA3 GLY 118 -39.911 -1.084 6.496 Start of MODEL 19 1 H1 GLY 1 H1 GLY 1 29.352 -0.470 6.474 2 HA2 GLY 1 HA2 GLY 1 28.828 -1.041 3.612 3 HA3 GLY 1 HA3 GLY 1 27.561 -0.949 4.851 4 H SER 2 H SER 2 26.604 1.037 5.216 5 HA SER 2 HA SER 2 28.095 3.499 4.730 6 HB3 SER 2 HB3 SER 2 27.089 3.159 2.567 7 HG SER 2 HG SER 2 24.559 2.992 2.983 8 H GLU 3 H GLU 3 26.638 5.316 5.515 9 HA GLU 3 HA GLU 3 25.870 4.923 8.219 10 HB3 GLU 3 HB3 GLU 3 26.523 7.097 7.233 11 HG3 GLU 3 HG3 GLU 3 23.744 7.172 5.971 12 H ASN 4 H ASN 4 23.947 4.864 5.248 13 HA ASN 4 HA ASN 4 21.387 4.761 6.564 14 HB3 ASN 4 HB3 ASN 4 21.795 5.757 4.312 15 HD21 ASN 4 HD21 ASN 4 20.898 2.525 3.143 16 HD22 ASN 4 HD22 ASN 4 22.318 2.342 2.135 17 H PHE 5 H PHE 5 23.749 2.368 6.435 18 HA PHE 5 HA PHE 5 22.076 0.106 5.778 19 HB3 PHE 5 HB3 PHE 5 24.683 0.349 7.318 20 HD1 PHE 5 HD1 PHE 5 22.337 -2.077 5.618 21 HD2 PHE 5 HD2 PHE 5 25.996 -1.531 7.835 22 HE1 PHE 5 HE1 PHE 5 22.463 -4.509 6.028 23 HE2 PHE 5 HE2 PHE 5 26.093 -3.967 8.239 24 HZ PHE 5 HZ PHE 5 24.354 -5.470 7.314 25 H GLN 6 H GLN 6 23.429 1.189 8.945 26 HA GLN 6 HA GLN 6 21.772 -0.529 10.457 27 HB3 GLN 6 HB3 GLN 6 23.185 1.980 11.414 28 HG3 GLN 6 HG3 GLN 6 21.794 0.634 13.140 29 HE21 GLN 6 HE21 GLN 6 21.175 -1.547 13.585 30 HE22 GLN 6 HE22 GLN 6 22.319 -2.857 13.615 31 H THR 7 H THR 7 21.125 2.765 9.271 32 HA THR 7 HA THR 7 19.179 3.475 11.200 33 HB THR 7 HB THR 7 20.342 4.878 9.351 34 HG1 THR 7 HG1 THR 7 18.917 6.404 9.534 35 HG21 THR 7 HG21 THR 7 17.810 4.259 7.787 36 HG22 THR 7 HG22 THR 7 19.392 3.569 7.413 37 HG23 THR 7 HG23 THR 7 19.149 5.322 7.320 38 H LEU 8 H LEU 8 19.002 1.200 8.595 39 HA LEU 8 HA LEU 8 16.095 1.038 8.422 40 HB3 LEU 8 HB3 LEU 8 16.698 -1.071 7.137 41 HG LEU 8 HG LEU 8 18.318 1.415 6.370 42 HD11 LEU 8 HD11 LEU 8 17.620 -1.072 4.803 43 HD12 LEU 8 HD12 LEU 8 19.252 -0.652 5.447 44 HD13 LEU 8 HD13 LEU 8 18.533 0.306 4.183 45 HD21 LEU 8 HD21 LEU 8 16.551 1.767 4.689 46 HD22 LEU 8 HD22 LEU 8 15.901 1.864 6.325 47 HD23 LEU 8 HD23 LEU 8 15.623 0.402 5.349 48 H LEU 9 H LEU 9 18.766 -0.828 9.859 49 HA LEU 9 HA LEU 9 17.274 -2.946 11.010 50 HB3 LEU 9 HB3 LEU 9 19.209 -2.999 12.637 51 HG LEU 9 HG LEU 9 18.936 -4.050 10.076 52 HD11 LEU 9 HD11 LEU 9 21.173 -3.978 9.062 53 HD12 LEU 9 HD12 LEU 9 21.696 -2.812 10.300 54 HD13 LEU 9 HD13 LEU 9 20.455 -2.361 9.116 55 HD21 LEU 9 HD21 LEU 9 21.093 -4.471 12.179 56 HD22 LEU 9 HD22 LEU 9 20.721 -5.586 10.857 57 HD23 LEU 9 HD23 LEU 9 19.494 -5.244 12.093 58 H ASP 10 H ASP 10 18.296 0.207 12.319 59 HA ASP 10 HA ASP 10 17.254 -0.253 14.931 60 HB3 ASP 10 HB3 ASP 10 17.624 2.461 13.608 61 H ALA 11 H ALA 11 15.718 0.890 12.032 62 HA ALA 11 HA ALA 11 13.587 2.273 13.451 63 HB1 ALA 11 HB1 ALA 11 12.928 2.875 11.131 64 HB2 ALA 11 HB2 ALA 11 14.643 3.200 11.477 65 HB3 ALA 11 HB3 ALA 11 14.184 1.761 10.517 66 H GLY 12 H GLY 12 14.005 -0.981 12.308 67 HA2 GLY 12 HA2 GLY 12 11.858 -2.119 13.258 68 HA3 GLY 12 HA3 GLY 12 11.072 -1.318 11.914 69 H LEU 13 H LEU 13 13.901 -1.884 10.456 70 HA LEU 13 HA LEU 13 12.635 -4.190 9.099 71 HB3 LEU 13 HB3 LEU 13 14.085 -3.601 7.243 72 HG LEU 13 HG LEU 13 13.114 -1.746 6.449 73 HD11 LEU 13 HD11 LEU 13 10.873 -1.552 7.106 74 HD12 LEU 13 HD12 LEU 13 11.190 -1.943 8.796 75 HD13 LEU 13 HD13 LEU 13 11.292 -3.197 7.551 76 HD21 LEU 13 HD21 LEU 13 12.532 0.307 7.637 77 HD22 LEU 13 HD22 LEU 13 14.238 -0.093 7.811 78 HD23 LEU 13 HD23 LEU 13 13.117 -0.376 9.164 79 HA PRO 14 HA PRO 14 15.796 -6.966 10.481 80 HB3 PRO 14 HB3 PRO 14 14.327 -8.609 9.651 81 HG3 PRO 14 HG3 PRO 14 13.388 -8.439 7.439 82 HD3 PRO 14 HD3 PRO 14 12.652 -6.564 8.772 83 H GLN 15 H GLN 15 17.958 -7.534 10.087 84 HA GLN 15 HA GLN 15 19.626 -5.988 8.549 85 HB3 GLN 15 HB3 GLN 15 20.103 -8.936 9.151 86 HG3 GLN 15 HG3 GLN 15 21.803 -6.912 7.929 87 HE21 GLN 15 HE21 GLN 15 23.066 -5.392 9.027 88 HE22 GLN 15 HE22 GLN 15 23.890 -5.726 10.534 89 H LYS 16 H LYS 16 17.922 -8.919 7.462 90 HA LYS 16 HA LYS 16 19.290 -9.496 5.112 91 HB3 LYS 16 HB3 LYS 16 17.565 -10.715 4.338 92 HG3 LYS 16 HG3 LYS 16 16.398 -11.792 6.008 93 HD3 LYS 16 HD3 LYS 16 19.015 -10.981 7.333 94 HE3 LYS 16 HE3 LYS 16 17.165 -13.378 7.561 95 HZ1 LYS 16 HZ1 LYS 16 18.831 -14.357 8.915 96 HZ2 LYS 16 HZ2 LYS 16 19.816 -13.025 8.802 97 HZ3 LYS 16 HZ3 LYS 16 19.516 -13.985 7.492 98 H VAL 17 H VAL 17 16.603 -7.228 5.629 99 HA VAL 17 HA VAL 17 16.345 -6.456 2.863 100 HB VAL 17 HB VAL 17 15.269 -5.395 5.516 101 HG11 VAL 17 HG11 VAL 17 13.582 -4.167 4.162 102 HG12 VAL 17 HG12 VAL 17 15.217 -3.498 4.116 103 HG13 VAL 17 HG13 VAL 17 14.600 -4.448 2.731 104 HG21 VAL 17 HG21 VAL 17 14.556 -7.736 4.794 105 HG22 VAL 17 HG22 VAL 17 13.255 -6.563 4.986 106 HG23 VAL 17 HG23 VAL 17 13.839 -6.966 3.367 107 H ALA 18 H ALA 18 17.956 -5.125 5.782 108 HA ALA 18 HA ALA 18 18.764 -2.716 4.558 109 HB1 ALA 18 HB1 ALA 18 18.713 -3.131 7.032 110 HB2 ALA 18 HB2 ALA 18 20.126 -4.198 6.845 111 HB3 ALA 18 HB3 ALA 18 20.254 -2.466 6.466 112 H GLU 19 H GLU 19 20.381 -5.861 4.677 113 HA GLU 19 HA GLU 19 22.870 -5.165 3.568 114 HB3 GLU 19 HB3 GLU 19 22.490 -7.611 2.534 115 HG3 GLU 19 HG3 GLU 19 22.469 -8.355 5.208 116 H LYS 20 H LYS 20 19.876 -6.192 1.871 117 HA LYS 20 HA LYS 20 21.043 -5.985 -0.753 118 HB3 LYS 20 HB3 LYS 20 18.479 -5.808 -1.348 119 HG3 LYS 20 HG3 LYS 20 19.611 -7.842 -1.823 120 HD3 LYS 20 HD3 LYS 20 19.407 -9.632 0.167 121 HE3 LYS 20 HE3 LYS 20 21.827 -7.837 -0.275 122 HZ1 LYS 20 HZ1 LYS 20 22.141 -9.498 1.509 123 HZ2 LYS 20 HZ2 LYS 20 23.081 -9.774 0.209 124 HZ3 LYS 20 HZ3 LYS 20 21.723 -10.700 0.437 125 H LEU 21 H LEU 21 19.393 -3.660 1.337 126 HA LEU 21 HA LEU 21 19.065 -1.667 -0.723 127 HB3 LEU 21 HB3 LEU 21 18.889 -1.457 2.312 128 HG LEU 21 HG LEU 21 18.838 0.770 1.539 129 HD11 LEU 21 HD11 LEU 21 17.160 1.519 -0.273 130 HD12 LEU 21 HD12 LEU 21 17.050 -0.158 -0.764 131 HD13 LEU 21 HD13 LEU 21 18.608 0.707 -0.846 132 HD21 LEU 21 HD21 LEU 21 16.669 1.469 2.156 133 HD22 LEU 21 HD22 LEU 21 16.796 -0.120 2.922 134 HD23 LEU 21 HD23 LEU 21 15.903 0.047 1.428 135 H ASP 22 H ASP 22 21.499 -2.147 1.950 136 HA ASP 22 HA ASP 22 22.548 0.394 1.847 137 HB3 ASP 22 HB3 ASP 22 23.298 -1.102 3.582 138 H GLU 23 H GLU 23 23.355 -2.278 -0.261 139 HA GLU 23 HA GLU 23 25.530 -1.217 -1.500 140 HB3 GLU 23 HB3 GLU 23 23.452 -2.833 -3.045 141 HG3 GLU 23 HG3 GLU 23 26.384 -3.409 -2.471 142 H ILE 24 H ILE 24 22.176 -0.405 -2.064 143 HA ILE 24 HA ILE 24 22.354 0.734 -4.705 144 HB ILE 24 HB ILE 24 20.319 1.128 -2.473 145 HG13 ILE 24 HG13 ILE 24 20.580 -1.274 -3.037 146 HG21 ILE 24 HG21 ILE 24 19.770 1.420 -5.430 147 HG22 ILE 24 HG22 ILE 24 18.742 1.885 -4.053 148 HG23 ILE 24 HG23 ILE 24 20.201 2.801 -4.397 149 HD11 ILE 24 HD11 ILE 24 18.244 -0.448 -2.685 150 HD12 ILE 24 HD12 ILE 24 18.068 -0.347 -4.443 151 HD13 ILE 24 HD13 ILE 24 18.383 -1.907 -3.664 152 H TYR 25 H TYR 25 22.803 1.853 -1.420 153 HA TYR 25 HA TYR 25 23.103 4.696 -2.098 154 HB3 TYR 25 HB3 TYR 25 23.786 4.830 0.324 155 HD1 TYR 25 HD1 TYR 25 20.992 2.353 -0.183 156 HD2 TYR 25 HD2 TYR 25 22.148 6.404 0.695 157 HE1 TYR 25 HE1 TYR 25 18.677 2.863 0.527 158 HE2 TYR 25 HE2 TYR 25 19.807 6.902 1.387 159 HH TYR 25 HH TYR 25 17.249 4.414 1.326 160 H VAL 26 H VAL 26 25.062 2.208 -2.935 161 HA VAL 26 HA VAL 26 27.538 3.820 -2.489 162 HB VAL 26 HB VAL 26 27.254 0.790 -2.432 163 HG11 VAL 26 HG11 VAL 26 29.462 1.415 -3.276 164 HG12 VAL 26 HG12 VAL 26 29.684 2.564 -1.937 165 HG13 VAL 26 HG13 VAL 26 29.606 0.809 -1.631 166 HG21 VAL 26 HG21 VAL 26 27.859 0.974 -0.033 167 HG22 VAL 26 HG22 VAL 26 27.745 2.750 -0.153 168 HG23 VAL 26 HG23 VAL 26 26.325 1.741 -0.381 169 H ALA 27 H ALA 27 25.449 2.237 -4.808 170 HA ALA 27 HA ALA 27 27.429 2.851 -6.965 171 HB1 ALA 27 HB1 ALA 27 25.710 1.246 -8.252 172 HB2 ALA 27 HB2 ALA 27 27.124 0.667 -7.371 173 HB3 ALA 27 HB3 ALA 27 25.516 0.591 -6.627 174 H GLY 28 H GLY 28 25.584 4.778 -5.545 175 HA2 GLY 28 HA2 GLY 28 24.731 6.772 -6.256 176 HA3 GLY 28 HA3 GLY 28 25.262 6.309 -7.866 177 H LEU 29 H LEU 29 22.899 4.080 -6.602 178 HA LEU 29 HA LEU 29 20.983 5.007 -8.595 179 HB3 LEU 29 HB3 LEU 29 19.559 3.170 -7.291 180 HG LEU 29 HG LEU 29 21.974 2.380 -8.961 181 HD11 LEU 29 HD11 LEU 29 20.617 0.337 -9.400 182 HD12 LEU 29 HD12 LEU 29 19.391 0.901 -8.234 183 HD13 LEU 29 HD13 LEU 29 21.039 0.486 -7.700 184 HD21 LEU 29 HD21 LEU 29 19.164 3.217 -9.695 185 HD22 LEU 29 HD22 LEU 29 20.135 2.172 -10.753 186 HD23 LEU 29 HD23 LEU 29 20.704 3.793 -10.366 187 H VAL 30 H VAL 30 21.619 5.923 -5.342 188 HA VAL 30 HA VAL 30 19.145 7.478 -5.472 189 HB VAL 30 HB VAL 30 18.958 7.322 -2.978 190 HG11 VAL 30 HG11 VAL 30 18.360 4.694 -4.456 191 HG12 VAL 30 HG12 VAL 30 17.516 5.307 -3.017 192 HG13 VAL 30 HG13 VAL 30 17.368 6.152 -4.572 193 HG21 VAL 30 HG21 VAL 30 20.632 4.791 -3.265 194 HG22 VAL 30 HG22 VAL 30 21.042 6.257 -2.356 195 HG23 VAL 30 HG23 VAL 30 19.686 5.250 -1.842 196 H ALA 31 H ALA 31 19.233 9.462 -4.529 197 HA ALA 31 HA ALA 31 21.897 10.410 -3.867 198 HB1 ALA 31 HB1 ALA 31 20.911 12.625 -4.244 199 HB2 ALA 31 HB2 ALA 31 20.364 11.551 -5.564 200 HB3 ALA 31 HB3 ALA 31 19.290 11.915 -4.188 201 H HIS 32 H HIS 32 21.112 8.856 -1.836 202 HA HIS 32 HA HIS 32 20.780 8.483 0.230 203 HB3 HIS 32 HB3 HIS 32 22.276 10.629 0.269 204 HD1 HIS 32 HD1 HIS 32 21.203 13.102 -0.194 205 HD2 HIS 32 HD2 HIS 32 20.029 10.989 3.213 206 HE1 HIS 32 HE1 HIS 32 19.960 14.787 1.267 207 H SER 33 H SER 33 18.809 11.259 -0.854 208 HA SER 33 HA SER 33 16.724 10.179 0.844 209 HB3 SER 33 HB3 SER 33 17.206 13.107 0.272 210 HG SER 33 HG SER 33 14.981 12.396 0.578 211 H ASP 34 H ASP 34 17.121 9.375 -1.852 212 HA ASP 34 HA ASP 34 15.170 10.555 -3.665 213 HB3 ASP 34 HB3 ASP 34 15.849 7.818 -4.244 214 H LEU 35 H LEU 35 14.584 8.991 -0.791 215 HA LEU 35 HA LEU 35 12.184 7.594 -1.689 216 HB3 LEU 35 HB3 LEU 35 12.210 6.786 0.667 217 HG LEU 35 HG LEU 35 14.120 5.339 0.649 218 HD11 LEU 35 HD11 LEU 35 12.791 5.415 -2.094 219 HD12 LEU 35 HD12 LEU 35 12.088 4.710 -0.610 220 HD13 LEU 35 HD13 LEU 35 13.544 4.004 -1.319 221 HD21 LEU 35 HD21 LEU 35 15.097 6.445 -1.981 222 HD22 LEU 35 HD22 LEU 35 15.784 5.145 -1.004 223 HD23 LEU 35 HD23 LEU 35 15.829 6.804 -0.391 224 H ASP 36 H ASP 36 10.136 8.474 -1.167 225 HA ASP 36 HA ASP 36 9.999 11.149 0.091 226 HB3 ASP 36 HB3 ASP 36 7.617 11.030 -0.554 227 H GLU 37 H GLU 37 8.279 11.442 1.852 228 HA GLU 37 HA GLU 37 8.602 9.655 4.020 229 HB3 GLU 37 HB3 GLU 37 6.294 11.605 3.674 230 HG3 GLU 37 HG3 GLU 37 7.863 10.470 6.021 231 H ARG 38 H ARG 38 6.247 9.880 1.466 232 HA ARG 38 HA ARG 38 4.389 7.914 2.400 233 HB3 ARG 38 HB3 ARG 38 3.810 7.900 -0.179 234 HG3 ARG 38 HG3 ARG 38 3.057 10.399 -0.030 235 HD3 ARG 38 HD3 ARG 38 2.305 8.154 1.848 236 HE ARG 38 HE ARG 38 1.465 10.879 2.251 237 HH11 ARG 38 HH11 ARG 38 0.201 7.553 2.194 238 HH12 ARG 38 HH12 ARG 38 -1.038 7.878 3.363 239 HH21 ARG 38 HH21 ARG 38 0.013 11.227 3.932 240 HH22 ARG 38 HH22 ARG 38 -0.960 9.923 4.556 241 H ALA 39 H ALA 39 7.434 7.547 0.562 242 HA ALA 39 HA ALA 39 6.856 4.734 -0.040 243 HB1 ALA 39 HB1 ALA 39 9.273 4.606 -0.675 244 HB2 ALA 39 HB2 ALA 39 8.405 5.824 -1.568 245 HB3 ALA 39 HB3 ALA 39 9.465 6.307 -0.212 246 H ILE 40 H ILE 40 8.455 6.644 2.538 247 HA ILE 40 HA ILE 40 9.847 4.573 3.757 248 HB ILE 40 HB ILE 40 8.580 6.927 5.212 249 HG13 ILE 40 HG13 ILE 40 10.884 7.943 5.019 250 HG21 ILE 40 HG21 ILE 40 10.415 6.654 6.824 251 HG22 ILE 40 HG22 ILE 40 9.376 5.234 6.780 252 HG23 ILE 40 HG23 ILE 40 10.961 5.194 5.983 253 HD11 ILE 40 HD11 ILE 40 12.251 7.486 3.115 254 HD12 ILE 40 HD12 ILE 40 12.079 5.953 4.004 255 HD13 ILE 40 HD13 ILE 40 11.127 6.245 2.533 256 H GLU 41 H GLU 41 6.555 5.757 4.417 257 HA GLU 41 HA GLU 41 5.938 4.155 6.632 258 HB3 GLU 41 HB3 GLU 41 3.891 4.923 4.501 259 HG3 GLU 41 HG3 GLU 41 2.538 5.599 6.415 260 H ALA 42 H ALA 42 5.464 3.498 3.148 261 HA ALA 42 HA ALA 42 4.101 0.961 3.582 262 HB1 ALA 42 HB1 ALA 42 5.660 1.923 1.134 263 HB2 ALA 42 HB2 ALA 42 4.542 0.540 1.204 264 HB3 ALA 42 HB3 ALA 42 3.932 2.182 1.435 265 H LEU 43 H LEU 43 7.435 1.956 3.069 266 HA LEU 43 HA LEU 43 8.533 -0.715 2.994 267 HB3 LEU 43 HB3 LEU 43 10.722 0.798 3.086 268 HG LEU 43 HG LEU 43 8.614 0.516 0.949 269 HD11 LEU 43 HD11 LEU 43 11.259 1.883 0.446 270 HD12 LEU 43 HD12 LEU 43 9.700 2.700 0.555 271 HD13 LEU 43 HD13 LEU 43 9.954 1.493 -0.716 272 HD21 LEU 43 HD21 LEU 43 10.602 -0.750 -0.121 273 HD22 LEU 43 HD22 LEU 43 9.803 -1.499 1.268 274 HD23 LEU 43 HD23 LEU 43 11.354 -0.672 1.472 275 H LYS 44 H LYS 44 7.073 0.449 5.620 276 HA LYS 44 HA LYS 44 8.980 -0.936 7.394 277 HB3 LYS 44 HB3 LYS 44 7.761 0.280 9.235 278 HG3 LYS 44 HG3 LYS 44 9.247 2.206 7.448 279 HD3 LYS 44 HD3 LYS 44 9.549 1.735 10.444 280 HE3 LYS 44 HE3 LYS 44 10.059 4.055 8.512 281 HZ1 LYS 44 HZ1 LYS 44 9.172 4.823 10.682 282 HZ2 LYS 44 HZ2 LYS 44 10.689 5.355 10.393 283 HZ3 LYS 44 HZ3 LYS 44 10.424 4.118 11.443 284 H GLU 45 H GLU 45 6.101 -1.276 5.655 285 HA GLU 45 HA GLU 45 5.039 -3.258 7.626 286 HB3 GLU 45 HB3 GLU 45 2.860 -2.810 6.568 287 HG3 GLU 45 HG3 GLU 45 3.928 -0.131 7.500 288 H PHE 46 H PHE 46 6.790 -4.699 6.413 289 HA PHE 46 HA PHE 46 5.223 -6.160 4.383 290 HB3 PHE 46 HB3 PHE 46 6.694 -5.035 2.970 291 HD1 PHE 46 HD1 PHE 46 9.193 -6.478 5.445 292 HD2 PHE 46 HD2 PHE 46 8.036 -3.119 2.990 293 HE1 PHE 46 HE1 PHE 46 11.262 -5.317 6.073 294 HE2 PHE 46 HE2 PHE 46 10.199 -2.012 3.566 295 HZ PHE 46 HZ PHE 46 11.769 -3.067 5.106 296 H ASN 47 H ASN 47 6.173 -8.407 4.117 297 HA ASN 47 HA ASN 47 7.111 -9.568 6.668 298 HB3 ASN 47 HB3 ASN 47 5.446 -10.924 5.517 299 HD21 ASN 47 HD21 ASN 47 7.219 -12.825 3.447 300 HD22 ASN 47 HD22 ASN 47 6.695 -12.058 1.947 301 H GLU 48 H GLU 48 8.935 -11.144 6.332 302 HA GLU 48 HA GLU 48 11.366 -10.014 5.683 303 HB3 GLU 48 HB3 GLU 48 10.486 -12.920 5.699 304 HG3 GLU 48 HG3 GLU 48 13.175 -12.335 6.738 305 H ASP 49 H ASP 49 9.475 -12.305 3.605 306 HA ASP 49 HA ASP 49 11.333 -11.888 1.348 307 HB3 ASP 49 HB3 ASP 49 8.809 -13.467 1.548 308 H GLY 50 H GLY 50 9.231 -9.898 2.611 309 HA2 GLY 50 HA2 GLY 50 7.610 -9.084 0.350 310 HA3 GLY 50 HA3 GLY 50 7.794 -8.240 1.882 311 H ALA 51 H ALA 51 9.883 -7.059 2.218 312 HA ALA 51 HA ALA 51 10.242 -5.186 0.129 313 HB1 ALA 51 HB1 ALA 51 11.743 -4.104 1.513 314 HB2 ALA 51 HB2 ALA 51 10.694 -5.006 2.649 315 HB3 ALA 51 HB3 ALA 51 12.320 -5.595 2.287 316 H LEU 52 H LEU 52 12.226 -8.001 1.137 317 HA LEU 52 HA LEU 52 14.451 -7.582 -0.495 318 HB3 LEU 52 HB3 LEU 52 14.505 -10.220 -0.484 319 HG LEU 52 HG LEU 52 14.595 -8.603 2.077 320 HD11 LEU 52 HD11 LEU 52 15.774 -10.585 3.029 321 HD12 LEU 52 HD12 LEU 52 15.304 -11.519 1.594 322 HD13 LEU 52 HD13 LEU 52 14.080 -10.898 2.684 323 HD21 LEU 52 HD21 LEU 52 16.738 -9.707 0.194 324 HD22 LEU 52 HD22 LEU 52 17.076 -8.988 1.779 325 HD23 LEU 52 HD23 LEU 52 16.364 -8.008 0.508 326 H ALA 53 H ALA 53 11.273 -8.726 -1.583 327 HA ALA 53 HA ALA 53 12.300 -9.864 -4.069 328 HB1 ALA 53 HB1 ALA 53 10.159 -10.585 -2.998 329 HB2 ALA 53 HB2 ALA 53 9.509 -8.953 -3.208 330 HB3 ALA 53 HB3 ALA 53 9.898 -9.940 -4.639 331 H VAL 54 H VAL 54 10.925 -6.854 -2.894 332 HA VAL 54 HA VAL 54 10.609 -5.597 -5.463 333 HB VAL 54 HB VAL 54 10.727 -4.138 -2.781 334 HG11 VAL 54 HG11 VAL 54 10.437 -2.993 -5.076 335 HG12 VAL 54 HG12 VAL 54 8.819 -3.722 -5.067 336 HG13 VAL 54 HG13 VAL 54 9.282 -2.576 -3.802 337 HG21 VAL 54 HG21 VAL 54 9.272 -5.905 -2.200 338 HG22 VAL 54 HG22 VAL 54 8.223 -4.560 -2.631 339 HG23 VAL 54 HG23 VAL 54 8.494 -5.884 -3.792 340 H LEU 55 H LEU 55 12.836 -4.833 -2.638 341 HA LEU 55 HA LEU 55 14.436 -3.009 -3.865 342 HB3 LEU 55 HB3 LEU 55 16.133 -3.959 -2.184 343 HG LEU 55 HG LEU 55 14.141 -2.188 -1.886 344 HD11 LEU 55 HD11 LEU 55 13.272 -4.202 0.011 345 HD12 LEU 55 HD12 LEU 55 12.381 -3.470 -1.385 346 HD13 LEU 55 HD13 LEU 55 12.795 -2.478 0.008 347 HD21 LEU 55 HD21 LEU 55 15.634 -3.365 0.505 348 HD22 LEU 55 HD22 LEU 55 15.027 -1.691 0.345 349 HD23 LEU 55 HD23 LEU 55 16.359 -2.259 -0.672 350 H GLN 56 H GLN 56 14.506 -6.537 -4.279 351 HA GLN 56 HA GLN 56 17.063 -6.575 -5.572 352 HB3 GLN 56 HB3 GLN 56 14.680 -8.474 -5.582 353 HG3 GLN 56 HG3 GLN 56 15.564 -9.052 -7.640 354 HE21 GLN 56 HE21 GLN 56 18.301 -8.667 -5.484 355 HE22 GLN 56 HE22 GLN 56 19.429 -7.893 -6.599 356 H GLN 57 H GLN 57 13.926 -7.120 -7.021 357 HA GLN 57 HA GLN 57 14.700 -6.544 -9.634 358 HB3 GLN 57 HB3 GLN 57 12.711 -7.782 -9.131 359 HG3 GLN 57 HG3 GLN 57 11.458 -5.087 -8.810 360 HE21 GLN 57 HE21 GLN 57 10.505 -6.972 -10.713 361 HE22 GLN 57 HE22 GLN 57 9.085 -7.785 -10.152 362 H PHE 58 H PHE 58 13.828 -4.144 -7.235 363 HA PHE 58 HA PHE 58 13.720 -1.830 -8.854 364 HB3 PHE 58 HB3 PHE 58 14.740 -2.264 -6.021 365 HD1 PHE 58 HD1 PHE 58 16.585 -0.642 -6.168 366 HD2 PHE 58 HD2 PHE 58 12.525 0.494 -7.122 367 HE1 PHE 58 HE1 PHE 58 17.192 1.749 -5.928 368 HE2 PHE 58 HE2 PHE 58 13.147 2.876 -6.866 369 HZ PHE 58 HZ PHE 58 15.475 3.506 -6.244 370 H LYS 59 H LYS 59 16.612 -3.476 -7.410 371 HA LYS 59 HA LYS 59 18.603 -1.639 -8.414 372 HB3 LYS 59 HB3 LYS 59 20.126 -3.704 -8.166 373 HG3 LYS 59 HG3 LYS 59 18.354 -2.760 -5.918 374 HD3 LYS 59 HD3 LYS 59 19.400 -5.196 -5.510 375 HE3 LYS 59 HE3 LYS 59 21.718 -3.238 -5.158 376 HZ1 LYS 59 HZ1 LYS 59 21.480 -4.436 -3.083 377 HZ2 LYS 59 HZ2 LYS 59 22.798 -5.022 -3.882 378 HZ3 LYS 59 HZ3 LYS 59 21.455 -5.894 -3.866 379 H ASP 60 H ASP 60 16.703 -4.116 -9.934 380 HA ASP 60 HA ASP 60 18.450 -4.141 -12.335 381 HB3 ASP 60 HB3 ASP 60 16.457 -6.338 -11.902 382 H SER 61 H SER 61 17.040 -1.932 -12.270 383 HA SER 61 HA SER 61 14.956 -2.262 -14.318 384 HB3 SER 61 HB3 SER 61 13.592 -0.520 -13.118 385 HG SER 61 HG SER 61 14.048 -2.886 -11.569 386 H ASP 62 H ASP 62 14.538 -0.260 -15.436 387 HA ASP 62 HA ASP 62 16.862 1.396 -15.985 388 HB3 ASP 62 HB3 ASP 62 13.978 1.455 -16.920 389 H LEU 63 H LEU 63 17.380 2.461 -14.110 390 HA LEU 63 HA LEU 63 15.369 4.314 -12.952 391 HB3 LEU 63 HB3 LEU 63 17.046 4.473 -11.055 392 HG LEU 63 HG LEU 63 15.890 1.715 -11.682 393 HD11 LEU 63 HD11 LEU 63 17.610 1.510 -9.989 394 HD12 LEU 63 HD12 LEU 63 16.023 1.323 -9.253 395 HD13 LEU 63 HD13 LEU 63 16.905 2.852 -9.043 396 HD21 LEU 63 HD21 LEU 63 14.095 3.315 -11.543 397 HD22 LEU 63 HD22 LEU 63 14.786 4.070 -10.080 398 HD23 LEU 63 HD23 LEU 63 14.122 2.421 -10.035 399 H SER 64 H SER 64 17.305 4.523 -15.478 400 HA SER 64 HA SER 64 19.461 6.019 -14.715 401 HB3 SER 64 HB3 SER 64 19.903 6.180 -17.113 402 HG SER 64 HG SER 64 19.064 3.952 -17.687 403 H HIS 65 H HIS 65 16.323 7.375 -15.634 404 HA HIS 65 HA HIS 65 17.497 10.009 -14.939 405 HB3 HIS 65 HB3 HIS 65 17.388 9.889 -17.406 406 HD1 HIS 65 HD1 HIS 65 13.727 10.968 -16.856 407 HD2 HIS 65 HD2 HIS 65 16.079 8.140 -18.937 408 HE1 HIS 65 HE1 HIS 65 12.194 9.868 -18.555 409 H VAL 66 H VAL 66 15.761 7.857 -13.686 410 HA VAL 66 HA VAL 66 13.134 8.893 -13.264 411 HB VAL 66 HB VAL 66 14.939 7.003 -11.697 412 HG11 VAL 66 HG11 VAL 66 13.169 7.915 -10.217 413 HG12 VAL 66 HG12 VAL 66 11.940 7.352 -11.373 414 HG13 VAL 66 HG13 VAL 66 12.988 6.190 -10.533 415 HG21 VAL 66 HG21 VAL 66 14.345 6.203 -13.949 416 HG22 VAL 66 HG22 VAL 66 13.504 5.278 -12.692 417 HG23 VAL 66 HG23 VAL 66 12.629 6.507 -13.611 418 H GLN 67 H GLN 67 12.782 10.862 -12.441 419 HA GLN 67 HA GLN 67 14.655 12.181 -10.674 420 HB3 GLN 67 HB3 GLN 67 11.848 13.099 -11.353 421 HG3 GLN 67 HG3 GLN 67 14.474 14.647 -11.197 422 HE21 GLN 67 HE21 GLN 67 10.942 15.102 -10.483 423 HE22 GLN 67 HE22 GLN 67 10.766 16.554 -11.449 424 H ASN 68 H ASN 68 12.100 9.976 -10.169 425 HA ASN 68 HA ASN 68 12.272 10.455 -7.251 426 HB3 ASN 68 HB3 ASN 68 9.608 10.111 -8.683 427 HD21 ASN 68 HD21 ASN 68 8.055 11.407 -6.713 428 HD22 ASN 68 HD22 ASN 68 8.255 10.537 -5.174 429 H LYS 69 H LYS 69 13.670 8.675 -7.262 430 HA LYS 69 HA LYS 69 13.109 6.027 -8.074 431 HB3 LYS 69 HB3 LYS 69 14.501 5.757 -5.706 432 HG3 LYS 69 HG3 LYS 69 15.589 5.191 -7.865 433 HD3 LYS 69 HD3 LYS 69 15.751 8.203 -8.244 434 HE3 LYS 69 HE3 LYS 69 17.597 6.049 -9.359 435 HZ1 LYS 69 HZ1 LYS 69 16.921 8.710 -10.400 436 HZ2 LYS 69 HZ2 LYS 69 17.272 7.319 -11.250 437 HZ3 LYS 69 HZ3 LYS 69 18.460 8.177 -10.511 438 H SER 70 H SER 70 11.926 7.774 -5.095 439 HA SER 70 HA SER 70 10.835 5.503 -3.841 440 HB3 SER 70 HB3 SER 70 10.726 8.368 -3.487 441 HG SER 70 HG SER 70 8.674 8.747 -3.396 442 H ALA 71 H ALA 71 9.354 7.690 -6.233 443 HA ALA 71 HA ALA 71 6.834 6.294 -6.355 444 HB1 ALA 71 HB1 ALA 71 8.233 8.121 -8.373 445 HB2 ALA 71 HB2 ALA 71 6.552 7.591 -8.465 446 HB3 ALA 71 HB3 ALA 71 7.066 8.619 -7.117 447 H PHE 72 H PHE 72 9.955 5.824 -8.091 448 HA PHE 72 HA PHE 72 8.906 3.793 -9.850 449 HB3 PHE 72 HB3 PHE 72 11.686 3.594 -8.691 450 HD1 PHE 72 HD1 PHE 72 11.222 1.188 -9.699 451 HD2 PHE 72 HD2 PHE 72 11.274 4.813 -12.057 452 HE1 PHE 72 HE1 PHE 72 11.598 -0.132 -11.755 453 HE2 PHE 72 HE2 PHE 72 11.751 3.480 -14.081 454 HZ PHE 72 HZ PHE 72 11.891 1.015 -13.951 455 H LEU 73 H LEU 73 10.029 3.730 -6.359 456 HA LEU 73 HA LEU 73 9.957 0.867 -6.299 457 HB3 LEU 73 HB3 LEU 73 10.095 2.966 -4.107 458 HG LEU 73 HG LEU 73 9.833 0.804 -3.027 459 HD11 LEU 73 HD11 LEU 73 11.411 -1.046 -3.379 460 HD12 LEU 73 HD12 LEU 73 12.195 -0.160 -4.710 461 HD13 LEU 73 HD13 LEU 73 10.520 -0.709 -4.865 462 HD21 LEU 73 HD21 LEU 73 12.748 1.745 -3.164 463 HD22 LEU 73 HD22 LEU 73 12.039 0.774 -1.848 464 HD23 LEU 73 HD23 LEU 73 11.491 2.435 -2.145 465 H CYS 74 H CYS 74 7.587 3.405 -5.947 466 HA CYS 74 HA CYS 74 5.820 2.083 -4.159 467 HB3 CYS 74 HB3 CYS 74 5.929 4.599 -4.847 468 HG CYS 74 HG CYS 74 5.558 4.281 -7.508 469 H GLY 75 H GLY 75 6.170 1.991 -7.678 470 HA2 GLY 75 HA2 GLY 75 3.603 0.750 -8.195 471 HA3 GLY 75 HA3 GLY 75 4.949 0.976 -9.329 472 H VAL 76 H VAL 76 7.046 -0.358 -8.202 473 HA VAL 76 HA VAL 76 6.408 -3.049 -8.811 474 HB VAL 76 HB VAL 76 8.596 -2.272 -9.201 475 HG11 VAL 76 HG11 VAL 76 10.224 -1.755 -7.430 476 HG12 VAL 76 HG12 VAL 76 8.955 -0.561 -7.667 477 HG13 VAL 76 HG13 VAL 76 8.864 -1.650 -6.274 478 HG21 VAL 76 HG21 VAL 76 9.980 -3.930 -7.921 479 HG22 VAL 76 HG22 VAL 76 8.519 -4.431 -7.071 480 HG23 VAL 76 HG23 VAL 76 8.602 -4.579 -8.821 481 H MET 77 H MET 77 6.732 -1.427 -5.546 482 HA MET 77 HA MET 77 6.282 -3.830 -4.150 483 HB3 MET 77 HB3 MET 77 7.148 -1.788 -3.066 484 HG3 MET 77 HG3 MET 77 4.236 -0.961 -3.194 485 HE1 MET 77 HE1 MET 77 7.582 -0.384 -0.911 486 HE2 MET 77 HE2 MET 77 7.586 0.712 -2.326 487 HE3 MET 77 HE3 MET 77 7.321 1.348 -0.678 488 H LYS 78 H LYS 78 3.948 -2.040 -6.042 489 HA LYS 78 HA LYS 78 1.727 -3.457 -4.632 490 HB3 LYS 78 HB3 LYS 78 0.230 -1.884 -5.813 491 HG3 LYS 78 HG3 LYS 78 2.445 -0.525 -4.245 492 HD3 LYS 78 HD3 LYS 78 -0.408 0.272 -3.923 493 HE3 LYS 78 HE3 LYS 78 2.181 1.859 -4.235 494 HZ1 LYS 78 HZ1 LYS 78 1.068 3.581 -3.390 495 HZ2 LYS 78 HZ2 LYS 78 0.011 2.693 -2.481 496 HZ3 LYS 78 HZ3 LYS 78 -0.201 2.879 -4.118 497 H THR 79 H THR 79 3.797 -3.914 -7.234 498 HA THR 79 HA THR 79 1.798 -5.529 -8.742 499 HB THR 79 HB THR 79 4.843 -5.347 -9.017 500 HG1 THR 79 HG1 THR 79 3.459 -3.334 -9.403 501 HG21 THR 79 HG21 THR 79 3.744 -7.343 -10.051 502 HG22 THR 79 HG22 THR 79 4.439 -6.255 -11.265 503 HG23 THR 79 HG23 THR 79 2.685 -6.246 -10.968 504 H TYR 80 H TYR 80 4.923 -6.111 -6.962 505 HA TYR 80 HA TYR 80 4.809 -8.778 -7.474 506 HB3 TYR 80 HB3 TYR 80 6.745 -7.292 -6.620 507 HD1 TYR 80 HD1 TYR 80 5.496 -5.737 -4.790 508 HD2 TYR 80 HD2 TYR 80 7.112 -9.651 -4.007 509 HE1 TYR 80 HE1 TYR 80 5.633 -5.190 -2.372 510 HE2 TYR 80 HE2 TYR 80 7.242 -9.139 -1.643 511 HH TYR 80 HH TYR 80 6.113 -5.964 -0.280 512 H ARG 81 H ARG 81 3.275 -7.252 -4.659 513 HA ARG 81 HA ARG 81 2.988 -9.666 -3.131 514 HB3 ARG 81 HB3 ARG 81 1.591 -8.506 -1.682 515 HG3 ARG 81 HG3 ARG 81 3.251 -6.273 -2.858 516 HD3 ARG 81 HD3 ARG 81 2.842 -6.472 0.068 517 HE ARG 81 HE ARG 81 2.977 -4.356 -1.951 518 HH11 ARG 81 HH11 ARG 81 2.098 -5.012 1.458 519 HH12 ARG 81 HH12 ARG 81 2.026 -3.339 1.887 520 HH21 ARG 81 HH21 ARG 81 2.240 -2.243 -1.488 521 HH22 ARG 81 HH22 ARG 81 1.758 -1.822 0.129 522 H GLN 82 H GLN 82 1.347 -8.665 -6.009 523 HA GLN 82 HA GLN 82 -1.244 -9.561 -5.507 524 HB3 GLN 82 HB3 GLN 82 -0.404 -8.266 -7.467 525 HG3 GLN 82 HG3 GLN 82 1.437 -10.228 -7.943 526 HE21 GLN 82 HE21 GLN 82 -1.441 -9.849 -10.092 527 HE22 GLN 82 HE22 GLN 82 -1.419 -11.507 -10.687 528 H ARG 83 H ARG 83 1.629 -11.469 -6.217 529 HA ARG 83 HA ARG 83 0.387 -14.041 -6.474 530 HB3 ARG 83 HB3 ARG 83 2.551 -14.939 -5.549 531 HG3 ARG 83 HG3 ARG 83 2.121 -14.019 -8.030 532 HD3 ARG 83 HD3 ARG 83 3.112 -11.737 -7.487 533 HE ARG 83 HE ARG 83 5.039 -11.859 -6.283 534 HH11 ARG 83 HH11 ARG 83 5.282 -14.171 -8.972 535 HH12 ARG 83 HH12 ARG 83 6.906 -14.651 -8.599 536 HH21 ARG 83 HH21 ARG 83 7.328 -12.354 -5.953 537 HH22 ARG 83 HH22 ARG 83 8.143 -13.446 -7.013 538 H GLU 84 H GLU 84 1.103 -12.117 -3.602 539 HA GLU 84 HA GLU 84 0.729 -14.351 -1.752 540 HB3 GLU 84 HB3 GLU 84 1.473 -12.595 -0.107 541 HG3 GLU 84 HG3 GLU 84 3.736 -12.249 -0.877 542 H LYS 85 H LYS 85 -1.498 -12.564 -3.321 543 HA LYS 85 HA LYS 85 -2.835 -11.222 -1.150 544 HB3 LYS 85 HB3 LYS 85 -4.631 -11.437 -3.368 545 HG3 LYS 85 HG3 LYS 85 -2.491 -9.339 -2.830 546 HD3 LYS 85 HD3 LYS 85 -5.239 -9.187 -4.168 547 HE3 LYS 85 HE3 LYS 85 -3.065 -7.152 -3.568 548 HZ1 LYS 85 HZ1 LYS 85 -4.426 -5.597 -4.717 549 HZ2 LYS 85 HZ2 LYS 85 -5.582 -6.733 -5.047 550 HZ3 LYS 85 HZ3 LYS 85 -4.111 -6.833 -5.749 551 H GLN 86 H GLN 86 -5.262 -11.456 -0.983 552 HA GLN 86 HA GLN 86 -6.400 -13.961 -0.241 553 HB3 GLN 86 HB3 GLN 86 -8.561 -12.828 -0.819 554 HG3 GLN 86 HG3 GLN 86 -6.574 -11.283 0.858 555 HE21 GLN 86 HE21 GLN 86 -10.187 -11.034 0.607 556 HE22 GLN 86 HE22 GLN 86 -10.131 -9.333 0.099 557 H GLY 87 H GLY 87 -5.909 -15.625 -1.661 558 HA2 GLY 87 HA2 GLY 87 -7.221 -15.674 -4.298 559 HA3 GLY 87 HA3 GLY 87 -5.470 -15.917 -4.200 560 H THR 88 H THR 88 -7.938 -16.948 -1.761 561 HA THR 88 HA THR 88 -7.697 -19.726 -2.417 562 HB THR 88 HB THR 88 -5.430 -19.239 -1.442 563 HG1 THR 88 HG1 THR 88 -6.038 -21.275 -1.199 564 HG21 THR 88 HG21 THR 88 -5.149 -18.795 0.917 565 HG22 THR 88 HG22 THR 88 -6.894 -18.779 1.183 566 HG23 THR 88 HG23 THR 88 -6.128 -17.490 0.227 567 H LYS 89 H LYS 89 -8.364 -20.845 -0.233 568 HA LYS 89 HA LYS 89 -11.131 -20.410 0.171 569 HB3 LYS 89 HB3 LYS 89 -10.151 -22.579 0.043 570 HG3 LYS 89 HG3 LYS 89 -8.925 -22.803 2.687 571 HD3 LYS 89 HD3 LYS 89 -6.999 -23.743 1.425 572 HE3 LYS 89 HE3 LYS 89 -8.174 -25.507 0.072 573 HZ1 LYS 89 HZ1 LYS 89 -9.662 -26.273 1.873 574 HZ2 LYS 89 HZ2 LYS 89 -9.304 -24.940 2.746 575 HZ3 LYS 89 HZ3 LYS 89 -8.113 -26.023 2.349 576 H VAL 90 H VAL 90 -9.562 -18.204 1.229 577 HA VAL 90 HA VAL 90 -9.912 -18.149 4.169 578 HB VAL 90 HB VAL 90 -9.295 -15.677 3.826 579 HG11 VAL 90 HG11 VAL 90 -7.328 -17.888 3.167 580 HG12 VAL 90 HG12 VAL 90 -6.874 -16.212 3.556 581 HG13 VAL 90 HG13 VAL 90 -7.723 -17.203 4.745 582 HG21 VAL 90 HG21 VAL 90 -8.299 -16.587 1.096 583 HG22 VAL 90 HG22 VAL 90 -9.754 -15.589 1.332 584 HG23 VAL 90 HG23 VAL 90 -8.169 -14.985 1.835 585 H ALA 91 H ALA 91 -12.192 -18.937 3.538 586 HA ALA 91 HA ALA 91 -14.049 -16.978 2.455 587 HB1 ALA 91 HB1 ALA 91 -15.669 -18.853 2.697 588 HB2 ALA 91 HB2 ALA 91 -14.207 -19.344 1.818 589 HB3 ALA 91 HB3 ALA 91 -14.426 -19.810 3.526 590 H ASP 92 H ASP 92 -13.401 -15.486 4.309 591 HA ASP 92 HA ASP 92 -15.352 -15.812 6.566 592 HB3 ASP 92 HB3 ASP 92 -13.731 -14.804 8.081 593 H SER 93 H SER 93 -16.801 -14.112 6.404 594 HA SER 93 HA SER 93 -15.876 -11.490 6.659 595 HB3 SER 93 HB3 SER 93 -15.512 -11.245 4.347 596 HG SER 93 HG SER 93 -18.036 -12.158 3.581 597 H SER 94 H SER 94 -17.556 -10.240 7.560 598 HA SER 94 HA SER 94 -20.298 -10.731 6.893 599 HB3 SER 94 HB3 SER 94 -19.557 -11.204 9.808 600 HG SER 94 HG SER 94 -21.688 -11.947 9.864 601 H LYS 95 H LYS 95 -19.647 -8.568 6.128 602 HA LYS 95 HA LYS 95 -20.691 -6.515 7.647 603 HB3 LYS 95 HB3 LYS 95 -18.642 -6.341 8.936 604 HG3 LYS 95 HG3 LYS 95 -17.071 -6.069 6.333 605 HD3 LYS 95 HD3 LYS 95 -16.262 -6.136 9.279 606 HE3 LYS 95 HE3 LYS 95 -14.569 -6.263 6.747 607 HZ1 LYS 95 HZ1 LYS 95 -13.437 -5.007 8.464 608 HZ2 LYS 95 HZ2 LYS 95 -12.732 -6.490 8.312 609 HZ3 LYS 95 HZ3 LYS 95 -13.702 -6.160 9.584 610 H GLY 96 H GLY 96 -20.565 -4.454 6.273 611 HA2 GLY 96 HA2 GLY 96 -19.280 -4.219 3.852 612 HA3 GLY 96 HA3 GLY 96 -20.750 -5.106 3.446 613 HA PRO 97 HA PRO 97 -22.705 -1.119 3.471 614 HB3 PRO 97 HB3 PRO 97 -24.337 -2.219 2.231 615 HG3 PRO 97 HG3 PRO 97 -25.190 -4.318 2.881 616 HD3 PRO 97 HD3 PRO 97 -22.928 -4.803 2.904 617 H ASP 98 H ASP 98 -23.605 0.485 4.827 618 HA ASP 98 HA ASP 98 -24.714 -0.146 7.467 619 HB3 ASP 98 HB3 ASP 98 -23.013 1.516 8.480 620 H GLU 99 H GLU 99 -26.651 1.045 6.888 621 HA GLU 99 HA GLU 99 -26.341 3.924 6.618 622 HB3 GLU 99 HB3 GLU 99 -28.015 2.403 4.575 623 HG3 GLU 99 HG3 GLU 99 -28.298 4.949 4.996 624 H ALA 100 H ALA 100 -28.258 4.945 7.491 625 HA ALA 100 HA ALA 100 -30.511 3.219 8.339 626 HB1 ALA 100 HB1 ALA 100 -30.377 4.237 10.582 627 HB2 ALA 100 HB2 ALA 100 -28.905 3.317 10.206 628 HB3 ALA 100 HB3 ALA 100 -28.892 5.092 10.122 629 H LYS 101 H LYS 101 -32.116 4.149 7.174 630 HA LYS 101 HA LYS 101 -32.529 7.081 7.319 631 HB3 LYS 101 HB3 LYS 101 -33.142 7.071 4.916 632 HG3 LYS 101 HG3 LYS 101 -30.387 5.872 5.453 633 HD3 LYS 101 HD3 LYS 101 -31.079 5.641 3.079 634 HE3 LYS 101 HE3 LYS 101 -30.780 8.687 3.079 635 HZ1 LYS 101 HZ1 LYS 101 -31.424 6.766 0.903 636 HZ2 LYS 101 HZ2 LYS 101 -30.062 7.636 1.012 637 HZ3 LYS 101 HZ3 LYS 101 -31.445 8.410 0.744 638 H ILE 102 H ILE 102 -34.774 7.666 6.870 639 HA ILE 102 HA ILE 102 -36.464 6.764 8.683 640 HB ILE 102 HB ILE 102 -36.484 8.872 7.368 641 HG13 ILE 102 HG13 ILE 102 -39.011 7.440 8.115 642 HG21 ILE 102 HG21 ILE 102 -37.847 9.159 5.445 643 HG22 ILE 102 HG22 ILE 102 -36.680 7.885 5.061 644 HG23 ILE 102 HG23 ILE 102 -38.380 7.479 5.455 645 HD11 ILE 102 HD11 ILE 102 -37.473 9.747 9.384 646 HD12 ILE 102 HD12 ILE 102 -39.024 9.118 9.962 647 HD13 ILE 102 HD13 ILE 102 -37.589 8.084 10.016 648 H LYS 103 H LYS 103 -37.015 5.709 5.335 649 HA LYS 103 HA LYS 103 -37.812 3.855 4.364 650 HB3 LYS 103 HB3 LYS 103 -38.002 1.708 5.905 651 HG3 LYS 103 HG3 LYS 103 -35.462 1.436 5.837 652 HD3 LYS 103 HD3 LYS 103 -36.799 2.179 3.198 653 HE3 LYS 103 HE3 LYS 103 -34.535 0.278 3.964 654 HZ1 LYS 103 HZ1 LYS 103 -34.414 -0.179 1.613 655 HZ2 LYS 103 HZ2 LYS 103 -35.734 0.750 1.304 656 HZ3 LYS 103 HZ3 LYS 103 -35.881 -0.635 2.185 657 H ALA 104 H ALA 104 -39.279 4.147 7.525 658 HA ALA 104 HA ALA 104 -41.997 3.731 6.374 659 HB1 ALA 104 HB1 ALA 104 -41.075 3.548 9.286 660 HB2 ALA 104 HB2 ALA 104 -42.732 3.273 8.693 661 HB3 ALA 104 HB3 ALA 104 -41.437 2.163 8.232 662 H LEU 105 H LEU 105 -43.133 5.191 8.626 663 HA LEU 105 HA LEU 105 -43.825 7.236 9.236 664 HB3 LEU 105 HB3 LEU 105 -41.902 8.909 9.677 665 HG LEU 105 HG LEU 105 -41.048 7.879 11.628 666 HD11 LEU 105 HD11 LEU 105 -43.052 7.421 12.877 667 HD12 LEU 105 HD12 LEU 105 -43.962 7.020 11.413 668 HD13 LEU 105 HD13 LEU 105 -43.407 8.686 11.694 669 HD21 LEU 105 HD21 LEU 105 -40.565 5.626 10.697 670 HD22 LEU 105 HD22 LEU 105 -42.301 5.232 10.828 671 HD23 LEU 105 HD23 LEU 105 -41.356 5.591 12.281 672 H LEU 106 H LEU 106 -45.070 7.470 7.312 673 HA LEU 106 HA LEU 106 -44.519 10.020 6.118 674 HB3 LEU 106 HB3 LEU 106 -45.311 7.708 4.309 675 HG LEU 106 HG LEU 106 -45.720 10.150 3.575 676 HD11 LEU 106 HD11 LEU 106 -43.642 11.161 4.484 677 HD12 LEU 106 HD12 LEU 106 -43.742 11.384 2.736 678 HD13 LEU 106 HD13 LEU 106 -42.670 10.137 3.417 679 HD21 LEU 106 HD21 LEU 106 -44.871 9.748 1.298 680 HD22 LEU 106 HD22 LEU 106 -45.638 8.307 1.979 681 HD23 LEU 106 HD23 LEU 106 -43.862 8.411 1.906 682 H GLU 107 H GLU 107 -46.626 10.890 5.297 683 HA GLU 107 HA GLU 107 -48.913 10.008 6.828 684 HB3 GLU 107 HB3 GLU 107 -48.595 12.099 4.623 685 HG3 GLU 107 HG3 GLU 107 -50.951 11.801 4.899 686 H ARG 108 H ARG 108 -50.987 9.460 5.762 687 HA ARG 108 HA ARG 108 -50.811 8.178 3.107 688 HB3 ARG 108 HB3 ARG 108 -51.755 6.778 5.668 689 HG3 ARG 108 HG3 ARG 108 -51.312 5.791 2.816 690 HD3 ARG 108 HD3 ARG 108 -51.792 4.200 5.372 691 HE ARG 108 HE ARG 108 -52.459 3.555 2.762 692 HH11 ARG 108 HH11 ARG 108 -50.423 2.176 5.278 693 HH12 ARG 108 HH12 ARG 108 -50.540 0.532 4.759 694 HH21 ARG 108 HH21 ARG 108 -52.662 1.367 1.994 695 HH22 ARG 108 HH22 ARG 108 -51.877 0.067 2.807 696 H THR 109 H THR 109 -52.587 10.189 5.255 697 HA THR 109 HA THR 109 -55.197 9.228 4.301 698 HB THR 109 HB THR 109 -55.158 10.146 7.057 699 HG1 THR 109 HG1 THR 109 -53.020 9.454 7.157 700 HG21 THR 109 HG21 THR 109 -55.584 7.374 5.843 701 HG22 THR 109 HG22 THR 109 -56.834 8.632 6.028 702 HG23 THR 109 HG23 THR 109 -56.080 7.911 7.461 703 H GLY 110 H GLY 110 -55.837 10.865 3.001 704 HA2 GLY 110 HA2 GLY 110 -56.815 13.239 4.197 705 HA3 GLY 110 HA3 GLY 110 -55.319 13.641 3.344 706 H TYR 111 H TYR 111 -55.224 12.583 1.023 707 HA TYR 111 HA TYR 111 -57.399 13.695 -0.453 708 HB3 TYR 111 HB3 TYR 111 -55.766 11.738 -1.950 709 HD1 TYR 111 HD1 TYR 111 -54.894 15.287 -1.345 710 HD2 TYR 111 HD2 TYR 111 -57.112 12.580 -3.891 711 HE1 TYR 111 HE1 TYR 111 -55.202 17.088 -2.975 712 HE2 TYR 111 HE2 TYR 111 -57.431 14.414 -5.528 713 HH TYR 111 HH TYR 111 -56.154 17.741 -4.971 714 H THR 112 H THR 112 -58.859 12.540 -1.961 715 HA THR 112 HA THR 112 -59.170 9.692 -1.780 716 HB THR 112 HB THR 112 -61.347 11.580 -0.758 717 HG1 THR 112 HG1 THR 112 -59.507 10.497 0.558 718 HG21 THR 112 HG21 THR 112 -62.713 9.521 -0.395 719 HG22 THR 112 HG22 THR 112 -61.527 8.581 -1.322 720 HG23 THR 112 HG23 THR 112 -62.483 9.868 -2.104 721 H LEU 113 H LEU 113 -60.647 9.047 -3.620 722 HA LEU 113 HA LEU 113 -60.104 10.833 -5.883 723 HB3 LEU 113 HB3 LEU 113 -61.477 8.225 -6.320 724 HG LEU 113 HG LEU 113 -59.659 7.702 -7.804 725 HD11 LEU 113 HD11 LEU 113 -60.431 10.581 -8.386 726 HD12 LEU 113 HD12 LEU 113 -61.442 9.168 -8.724 727 HD13 LEU 113 HD13 LEU 113 -59.881 9.352 -9.544 728 HD21 LEU 113 HD21 LEU 113 -57.739 9.112 -8.211 729 HD22 LEU 113 HD22 LEU 113 -57.806 8.689 -6.491 730 HD23 LEU 113 HD23 LEU 113 -58.298 10.310 -7.034 731 H ASP 114 H ASP 114 -62.743 10.325 -3.821 732 HA ASP 114 HA ASP 114 -64.793 10.997 -5.869 733 HB3 ASP 114 HB3 ASP 114 -65.060 9.071 -3.532 734 H VAL 115 H VAL 115 -63.338 12.871 -4.213 735 HA VAL 115 HA VAL 115 -65.561 14.064 -2.730 736 HB VAL 115 HB VAL 115 -62.772 13.730 -1.515 737 HG11 VAL 115 HG11 VAL 115 -63.783 15.887 -0.885 738 HG12 VAL 115 HG12 VAL 115 -65.285 15.063 -0.397 739 HG13 VAL 115 HG13 VAL 115 -63.771 14.798 0.496 740 HG21 VAL 115 HG21 VAL 115 -65.416 12.494 -0.629 741 HG22 VAL 115 HG22 VAL 115 -64.027 11.622 -1.284 742 HG23 VAL 115 HG23 VAL 115 -63.886 12.427 0.281 743 H THR 116 H THR 116 -65.511 16.346 -3.041 744 HA THR 116 HA THR 116 -63.677 17.399 -5.026 745 HB THR 116 HB THR 116 -65.017 19.498 -4.521 746 HG1 THR 116 HG1 THR 116 -65.593 18.916 -2.428 747 HG21 THR 116 HG21 THR 116 -66.665 17.022 -5.218 748 HG22 THR 116 HG22 THR 116 -65.668 17.958 -6.355 749 HG23 THR 116 HG23 THR 116 -67.079 18.709 -5.587 750 H THR 117 H THR 117 -61.762 16.824 -3.752 751 HA THR 117 HA THR 117 -61.066 18.778 -1.634 752 HB THR 117 HB THR 117 -59.444 16.384 -2.593 753 HG1 THR 117 HG1 THR 117 -60.612 15.123 -1.384 754 HG21 THR 117 HG21 THR 117 -59.542 17.907 0.059 755 HG22 THR 117 HG22 THR 117 -58.161 17.820 -1.062 756 HG23 THR 117 HG23 THR 117 -58.668 16.382 -0.185 757 H GLY 118 H GLY 118 -58.347 19.238 -2.141 758 HA2 GLY 118 HA2 GLY 118 -57.953 19.896 -4.935 759 HA3 GLY 118 HA3 GLY 118 -57.771 21.188 -3.714
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