NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
7048 | 1jwe | 4297 | cing | recoord | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 23 1H MET 23 2.034 27.828 -5.254 2 2H MET 23 2H MET 23 1.397 28.910 -4.199 3 3H MET 23 3H MET 23 3.017 28.882 -4.497 4 HA MET 23 HA MET 23 2.676 27.851 -2.393 5 1HB MET 23 1HB MET 23 0.747 26.101 -3.972 6 2HB MET 23 2HB MET 23 1.385 25.665 -2.384 7 1HG MET 23 1HG MET 23 0.395 27.674 -1.388 8 2HG MET 23 2HG MET 23 -0.249 28.155 -2.965 9 1HE MET 23 1HE MET 23 -2.141 28.046 -0.502 10 2HE MET 23 2HE MET 23 -2.704 28.374 -2.158 11 3HE MET 23 3HE MET 23 -3.532 27.159 -1.160 12 H LYS 24 H LYS 24 4.251 26.298 -1.812 13 HA LYS 24 HA LYS 24 5.175 24.392 -3.896 14 1HB LYS 24 1HB LYS 24 6.923 25.278 -2.390 15 2HB LYS 24 2HB LYS 24 6.038 24.720 -0.974 16 1HG LYS 24 1HG LYS 24 6.621 22.704 -3.140 17 2HG LYS 24 2HG LYS 24 7.993 23.294 -2.221 18 1HD LYS 24 1HD LYS 24 5.518 22.145 -0.868 19 2HD LYS 24 2HD LYS 24 6.837 21.128 -1.425 20 1HE LYS 24 1HE LYS 24 7.285 23.496 0.433 21 2HE LYS 24 2HE LYS 24 6.867 21.887 1.039 22 1HZ LYS 24 1HZ LYS 24 9.241 22.424 -0.651 23 2HZ LYS 24 2HZ LYS 24 9.265 22.317 0.982 24 3HZ LYS 24 3HZ LYS 24 8.849 21.013 0.082 25 H VAL 25 H VAL 25 3.687 22.758 -4.174 26 HA VAL 25 HA VAL 25 1.731 22.113 -2.077 27 HB VAL 25 HB VAL 25 2.440 20.958 -4.798 28 1HG1 VAL 25 1HG1 VAL 25 1.438 19.170 -3.359 29 2HG1 VAL 25 2HG1 VAL 25 0.020 20.199 -3.099 30 3HG1 VAL 25 3HG1 VAL 25 0.417 19.618 -4.726 31 1HG2 VAL 25 1HG2 VAL 25 1.355 23.201 -4.827 32 2HG2 VAL 25 2HG2 VAL 25 0.261 21.974 -5.464 33 3HG2 VAL 25 3HG2 VAL 25 0.035 22.587 -3.815 34 HA PRO 26 HA PRO 26 4.633 19.359 -0.065 35 1HB PRO 26 1HB PRO 26 2.950 17.426 0.986 36 2HB PRO 26 2HB PRO 26 3.184 19.058 1.684 37 1HG PRO 26 1HG PRO 26 0.986 18.136 -0.197 38 2HG PRO 26 2HG PRO 26 0.818 19.064 1.324 39 1HD PRO 26 1HD PRO 26 0.809 20.327 -1.042 40 2HD PRO 26 2HD PRO 26 1.715 21.036 0.322 41 HA PRO 27 HA PRO 27 4.894 16.492 -3.546 42 1HB PRO 27 1HB PRO 27 7.325 15.358 -3.103 43 2HB PRO 27 2HB PRO 27 7.151 17.053 -3.638 44 1HG PRO 27 1HG PRO 27 7.560 16.045 -0.801 45 2HG PRO 27 2HG PRO 27 8.441 17.339 -1.654 46 1HD PRO 27 1HD PRO 27 6.335 17.851 0.025 47 2HD PRO 27 2HD PRO 27 6.626 18.839 -1.441 48 H HIS 28 H HIS 28 3.814 14.617 -3.626 49 HA HIS 28 HA HIS 28 3.711 12.756 -1.311 50 1HB HIS 28 1HB HIS 28 2.347 12.822 -4.038 51 2HB HIS 28 2HB HIS 28 2.161 11.505 -2.872 52 HD1 HIS 28 HD1 HIS 28 0.911 15.019 -3.521 53 HD2 HIS 28 HD2 HIS 28 0.688 11.907 -0.684 54 HE1 HIS 28 HE1 HIS 28 -1.007 15.613 -1.961 55 H SER 29 H SER 29 3.824 10.311 -2.298 56 HA SER 29 HA SER 29 5.968 10.039 -4.316 57 1HB SER 29 1HB SER 29 6.436 7.885 -2.771 58 2HB SER 29 2HB SER 29 7.235 9.427 -2.542 59 HG SER 29 HG SER 29 4.822 8.787 -1.187 60 H ILE 30 H ILE 30 2.965 10.034 -4.422 61 HA ILE 30 HA ILE 30 1.444 7.901 -4.287 62 HB ILE 30 HB ILE 30 1.752 9.474 -6.911 63 1HG1 ILE 30 1HG1 ILE 30 1.580 11.123 -5.242 64 2HG1 ILE 30 2HG1 ILE 30 0.081 11.052 -6.141 65 1HG2 ILE 30 1HG2 ILE 30 0.209 7.573 -7.192 66 2HG2 ILE 30 2HG2 ILE 30 -0.772 8.151 -5.834 67 3HG2 ILE 30 3HG2 ILE 30 -0.623 9.115 -7.310 68 1HD1 ILE 30 1HD1 ILE 30 0.548 9.808 -3.406 69 2HD1 ILE 30 2HD1 ILE 30 -0.362 11.295 -3.728 70 3HD1 ILE 30 3HD1 ILE 30 -0.984 9.750 -4.318 71 H GLU 31 H GLU 31 3.507 8.279 -7.129 72 HA GLU 31 HA GLU 31 2.650 5.760 -8.237 73 1HB GLU 31 1HB GLU 31 4.588 7.904 -9.024 74 2HB GLU 31 2HB GLU 31 4.280 6.462 -9.988 75 1HG GLU 31 1HG GLU 31 1.920 7.016 -10.234 76 2HG GLU 31 2HG GLU 31 1.906 8.117 -8.909 77 H ALA 32 H ALA 32 5.399 6.786 -6.450 78 HA ALA 32 HA ALA 32 6.901 4.278 -6.642 79 1HB ALA 32 1HB ALA 32 8.056 6.358 -5.971 80 2HB ALA 32 2HB ALA 32 7.043 6.471 -4.516 81 3HB ALA 32 3HB ALA 32 8.167 5.129 -4.693 82 H GLU 33 H GLU 33 4.687 5.733 -4.232 83 HA GLU 33 HA GLU 33 4.397 3.617 -2.395 84 1HB GLU 33 1HB GLU 33 2.411 5.673 -3.412 85 2HB GLU 33 2HB GLU 33 2.073 4.681 -2.050 86 1HG GLU 33 1HG GLU 33 3.646 5.803 -0.693 87 2HG GLU 33 2HG GLU 33 4.505 6.475 -2.085 88 H GLN 34 H GLN 34 2.672 4.252 -5.463 89 HA GLN 34 HA GLN 34 0.924 2.073 -5.375 90 1HB GLN 34 1HB GLN 34 2.183 3.444 -7.788 91 2HB GLN 34 2HB GLN 34 0.969 2.195 -7.906 92 1HG GLN 34 1HG GLN 34 0.097 4.316 -6.099 93 2HG GLN 34 2HG GLN 34 0.552 4.978 -7.665 94 1HE2 GLN 34 2HE2 GLN 34 -2.093 4.131 -6.066 95 2HE2 GLN 34 1HE2 GLN 34 -3.010 3.223 -7.277 96 H SER 35 H SER 35 4.198 2.318 -6.890 97 HA SER 35 HA SER 35 4.267 -0.445 -7.612 98 1HB SER 35 1HB SER 35 6.411 1.691 -7.346 99 2HB SER 35 2HB SER 35 6.683 0.059 -7.969 100 HG SER 35 HG SER 35 4.694 0.730 -9.360 101 H VAL 36 H VAL 36 5.008 1.120 -4.569 102 HA VAL 36 HA VAL 36 6.399 -1.177 -3.464 103 HB VAL 36 HB VAL 36 4.827 1.069 -2.106 104 1HG1 VAL 36 1HG1 VAL 36 6.408 -1.197 -0.859 105 2HG1 VAL 36 2HG1 VAL 36 5.891 0.259 0.013 106 3HG1 VAL 36 3HG1 VAL 36 4.681 -0.856 -0.619 107 1HG2 VAL 36 1HG2 VAL 36 7.812 0.460 -2.256 108 2HG2 VAL 36 2HG2 VAL 36 6.952 1.754 -3.115 109 3HG2 VAL 36 3HG2 VAL 36 7.054 1.803 -1.362 110 H LEU 37 H LEU 37 2.965 -0.105 -3.213 111 HA LEU 37 HA LEU 37 2.138 -2.475 -1.853 112 1HB LEU 37 1HB LEU 37 0.546 -0.571 -3.606 113 2HB LEU 37 2HB LEU 37 -0.172 -1.780 -2.541 114 HG LEU 37 HG LEU 37 1.621 0.496 -1.566 115 1HD1 LEU 37 1HD1 LEU 37 -1.412 0.310 -1.640 116 2HD1 LEU 37 2HD1 LEU 37 -0.455 1.546 -0.797 117 3HD1 LEU 37 3HD1 LEU 37 -0.383 1.433 -2.564 118 1HD2 LEU 37 1HD2 LEU 37 -0.203 -1.399 -0.036 119 2HD2 LEU 37 2HD2 LEU 37 1.571 -1.388 0.001 120 3HD2 LEU 37 3HD2 LEU 37 0.671 -0.011 0.639 121 H GLY 38 H GLY 38 2.067 -1.607 -5.314 122 1HA GLY 38 1HA GLY 38 1.046 -3.975 -6.432 123 2HA GLY 38 2HA GLY 38 2.196 -2.858 -7.177 124 H GLY 39 H GLY 39 4.495 -3.105 -5.569 125 1HA GLY 39 1HA GLY 39 5.596 -5.517 -6.531 126 2HA GLY 39 2HA GLY 39 6.319 -4.405 -5.358 127 H LEU 40 H LEU 40 4.170 -4.699 -3.363 128 HA LEU 40 HA LEU 40 5.010 -7.152 -2.060 129 1HB LEU 40 1HB LEU 40 2.756 -5.169 -1.500 130 2HB LEU 40 2HB LEU 40 3.110 -6.545 -0.467 131 HG LEU 40 HG LEU 40 5.060 -4.268 -1.064 132 1HD1 LEU 40 1HD1 LEU 40 3.256 -4.881 1.297 133 2HD1 LEU 40 2HD1 LEU 40 4.621 -3.765 1.394 134 3HD1 LEU 40 3HD1 LEU 40 3.278 -3.424 0.289 135 1HD2 LEU 40 1HD2 LEU 40 5.234 -6.701 0.744 136 2HD2 LEU 40 2HD2 LEU 40 6.306 -6.280 -0.610 137 3HD2 LEU 40 3HD2 LEU 40 6.322 -5.291 0.837 138 H MET 41 H MET 41 2.098 -6.188 -3.878 139 HA MET 41 HA MET 41 0.692 -8.664 -3.524 140 1HB MET 41 1HB MET 41 0.664 -6.739 -5.884 141 2HB MET 41 2HB MET 41 -0.514 -8.006 -5.604 142 1HG MET 41 1HG MET 41 -1.565 -6.889 -3.893 143 2HG MET 41 2HG MET 41 -0.135 -5.972 -3.425 144 1HE MET 41 1HE MET 41 -3.186 -4.989 -3.841 145 2HE MET 41 2HE MET 41 -1.956 -3.842 -3.234 146 3HE MET 41 3HE MET 41 -2.995 -3.407 -4.621 147 H LEU 42 H LEU 42 3.107 -7.516 -5.838 148 HA LEU 42 HA LEU 42 3.187 -9.730 -7.572 149 1HB LEU 42 1HB LEU 42 4.148 -7.273 -7.665 150 2HB LEU 42 2HB LEU 42 5.628 -8.010 -7.090 151 HG LEU 42 HG LEU 42 4.175 -9.129 -9.515 152 1HD1 LEU 42 1HD1 LEU 42 6.002 -6.693 -9.506 153 2HD1 LEU 42 2HD1 LEU 42 5.391 -7.546 -10.957 154 3HD1 LEU 42 3HD1 LEU 42 4.268 -6.712 -9.885 155 1HD2 LEU 42 1HD2 LEU 42 7.139 -8.919 -8.789 156 2HD2 LEU 42 2HD2 LEU 42 6.139 -10.373 -8.664 157 3HD2 LEU 42 3HD2 LEU 42 6.471 -9.684 -10.252 158 H ASP 43 H ASP 43 5.188 -8.949 -4.769 159 HA ASP 43 HA ASP 43 5.904 -11.803 -4.406 160 1HB ASP 43 1HB ASP 43 7.735 -10.874 -5.676 161 2HB ASP 43 2HB ASP 43 7.928 -9.545 -4.520 162 H ASN 44 H ASN 44 4.926 -12.157 -2.568 163 HA ASN 44 HA ASN 44 4.447 -10.248 -0.485 164 1HB ASN 44 1HB ASN 44 4.348 -13.298 -0.536 165 2HB ASN 44 2HB ASN 44 3.927 -12.349 0.878 166 1HD2 ASN 44 2HD2 ASN 44 2.860 -10.603 -1.958 167 2HD2 ASN 44 1HD2 ASN 44 1.224 -11.202 -1.867 168 H GLU 45 H GLU 45 7.348 -12.211 -1.149 169 HA GLU 45 HA GLU 45 8.317 -12.209 1.615 170 1HB GLU 45 1HB GLU 45 9.867 -12.322 -1.032 171 2HB GLU 45 2HB GLU 45 10.510 -12.691 0.562 172 1HG GLU 45 1HG GLU 45 9.022 -14.657 0.731 173 2HG GLU 45 2HG GLU 45 8.396 -14.328 -0.898 174 H ARG 46 H ARG 46 8.258 -9.800 -0.994 175 HA ARG 46 HA ARG 46 10.334 -8.246 0.275 176 1HB ARG 46 1HB ARG 46 8.268 -7.611 -1.872 177 2HB ARG 46 2HB ARG 46 9.520 -6.483 -1.336 178 1HG ARG 46 1HG ARG 46 10.213 -9.275 -2.346 179 2HG ARG 46 2HG ARG 46 10.053 -7.884 -3.400 180 1HD ARG 46 1HD ARG 46 11.764 -6.668 -2.010 181 2HD ARG 46 2HD ARG 46 11.954 -8.111 -1.004 182 HE ARG 46 HE ARG 46 12.629 -9.325 -3.066 183 1HH1 ARG 46 1HH1 ARG 46 13.526 -5.922 -2.531 184 2HH1 ARG 46 2HH1 ARG 46 14.647 -5.889 -3.848 185 1HH2 ARG 46 1HH2 ARG 46 14.301 -9.368 -4.466 186 2HH2 ARG 46 2HH2 ARG 46 15.166 -7.947 -4.975 187 H TRP 47 H TRP 47 7.338 -8.991 1.490 188 HA TRP 47 HA TRP 47 6.510 -6.513 2.625 189 1HB TRP 47 1HB TRP 47 5.283 -8.614 3.044 190 2HB TRP 47 2HB TRP 47 6.642 -9.235 3.976 191 HD1 TRP 47 HD1 TRP 47 6.920 -8.385 6.442 192 HE1 TRP 47 HE1 TRP 47 5.542 -6.948 8.025 193 HE3 TRP 47 HE3 TRP 47 3.923 -6.154 2.999 194 HZ2 TRP 47 HZ2 TRP 47 3.524 -4.845 7.781 195 HZ3 TRP 47 HZ3 TRP 47 2.421 -4.283 3.658 196 HH2 TRP 47 HH2 TRP 47 2.194 -3.646 6.028 197 H ASP 48 H ASP 48 9.110 -8.822 3.611 198 HA ASP 48 HA ASP 48 9.866 -7.299 5.904 199 1HB ASP 48 1HB ASP 48 10.917 -9.540 4.367 200 2HB ASP 48 2HB ASP 48 12.240 -8.458 4.696 201 H ASP 49 H ASP 49 10.506 -6.732 2.589 202 HA ASP 49 HA ASP 49 12.958 -5.156 2.964 203 1HB ASP 49 1HB ASP 49 12.126 -6.838 0.960 204 2HB ASP 49 2HB ASP 49 11.382 -5.390 0.329 205 H VAL 50 H VAL 50 9.623 -4.717 2.150 206 HA VAL 50 HA VAL 50 9.827 -1.825 1.822 207 HB VAL 50 HB VAL 50 7.646 -3.929 2.075 208 1HG1 VAL 50 1HG1 VAL 50 7.327 -0.909 1.632 209 2HG1 VAL 50 2HG1 VAL 50 6.029 -2.090 1.403 210 3HG1 VAL 50 3HG1 VAL 50 6.710 -1.844 3.014 211 1HG2 VAL 50 1HG2 VAL 50 8.568 -2.166 -0.252 212 2HG2 VAL 50 2HG2 VAL 50 8.876 -3.902 -0.066 213 3HG2 VAL 50 3HG2 VAL 50 7.228 -3.333 -0.316 214 H ALA 51 H ALA 51 8.520 -4.113 4.290 215 HA ALA 51 HA ALA 51 7.863 -2.103 6.127 216 1HB ALA 51 1HB ALA 51 6.842 -4.374 6.027 217 2HB ALA 51 2HB ALA 51 8.370 -5.065 6.627 218 3HB ALA 51 3HB ALA 51 7.425 -3.981 7.645 219 H GLU 52 H GLU 52 11.087 -3.427 5.429 220 HA GLU 52 HA GLU 52 11.979 -2.697 8.046 221 1HB GLU 52 1HB GLU 52 14.183 -3.027 7.462 222 2HB GLU 52 2HB GLU 52 13.214 -4.394 6.925 223 1HG GLU 52 1HG GLU 52 13.231 -3.547 4.651 224 2HG GLU 52 2HG GLU 52 14.104 -2.096 5.156 225 H ARG 53 H ARG 53 11.283 -0.961 5.171 226 HA ARG 53 HA ARG 53 12.783 1.455 6.077 227 1HB ARG 53 1HB ARG 53 11.573 0.536 3.474 228 2HB ARG 53 2HB ARG 53 11.652 2.268 3.782 229 1HG ARG 53 1HG ARG 53 13.953 2.371 3.811 230 2HG ARG 53 2HG ARG 53 14.170 0.656 4.192 231 1HD ARG 53 1HD ARG 53 12.864 1.484 1.581 232 2HD ARG 53 2HD ARG 53 14.610 1.520 1.748 233 HE ARG 53 HE ARG 53 12.886 -0.920 2.120 234 1HH1 ARG 53 1HH1 ARG 53 16.103 0.452 1.327 235 2HH1 ARG 53 2HH1 ARG 53 16.823 -1.120 1.200 236 1HH2 ARG 53 1HH2 ARG 53 13.870 -2.869 1.991 237 2HH2 ARG 53 2HH2 ARG 53 15.538 -3.062 1.567 238 H VAL 54 H VAL 54 9.460 0.268 5.388 239 HA VAL 54 HA VAL 54 8.504 2.851 6.485 240 HB VAL 54 HB VAL 54 6.614 2.538 4.920 241 1HG1 VAL 54 1HG1 VAL 54 8.430 4.148 4.517 242 2HG1 VAL 54 2HG1 VAL 54 9.323 2.908 3.608 243 3HG1 VAL 54 3HG1 VAL 54 7.769 3.510 3.013 244 1HG2 VAL 54 1HG2 VAL 54 7.119 0.069 4.455 245 2HG2 VAL 54 2HG2 VAL 54 6.593 1.084 3.121 246 3HG2 VAL 54 3HG2 VAL 54 8.312 0.689 3.286 247 H VAL 55 H VAL 55 6.394 2.970 7.224 248 HA VAL 55 HA VAL 55 5.000 0.548 8.150 249 HB VAL 55 HB VAL 55 4.388 1.851 10.208 250 1HG1 VAL 55 1HG1 VAL 55 6.063 0.062 10.289 251 2HG1 VAL 55 2HG1 VAL 55 7.352 1.246 9.974 252 3HG1 VAL 55 3HG1 VAL 55 6.377 1.344 11.458 253 1HG2 VAL 55 1HG2 VAL 55 5.067 4.128 9.349 254 2HG2 VAL 55 2HG2 VAL 55 5.633 3.728 10.981 255 3HG2 VAL 55 3HG2 VAL 55 6.754 3.643 9.611 256 H ALA 56 H ALA 56 2.618 1.365 8.711 257 HA ALA 56 HA ALA 56 1.492 2.414 6.353 258 1HB ALA 56 1HB ALA 56 0.243 1.094 8.045 259 2HB ALA 56 2HB ALA 56 0.314 2.469 9.167 260 3HB ALA 56 3HB ALA 56 -0.577 2.610 7.643 261 H ASP 57 H ASP 57 2.483 4.086 9.333 262 HA ASP 57 HA ASP 57 1.265 6.576 8.864 263 1HB ASP 57 1HB ASP 57 3.681 5.699 10.446 264 2HB ASP 57 2HB ASP 57 3.384 7.422 10.222 265 H ASP 58 H ASP 58 3.992 5.237 7.102 266 HA ASP 58 HA ASP 58 5.102 7.792 6.368 267 1HB ASP 58 1HB ASP 58 5.502 4.957 5.325 268 2HB ASP 58 2HB ASP 58 6.404 6.355 4.779 269 H PHE 59 H PHE 59 2.448 5.793 5.214 270 HA PHE 59 HA PHE 59 2.367 7.063 2.554 271 1HB PHE 59 1HB PHE 59 0.513 5.105 3.967 272 2HB PHE 59 2HB PHE 59 0.281 5.727 2.353 273 HD1 PHE 59 HD1 PHE 59 2.411 3.542 4.477 274 HD2 PHE 59 HD2 PHE 59 1.519 4.819 0.458 275 HE1 PHE 59 HE1 PHE 59 3.608 1.573 3.595 276 HE2 PHE 59 HE2 PHE 59 2.677 2.800 -0.432 277 HZ PHE 59 HZ PHE 59 3.703 1.162 1.139 278 H TYR 60 H TYR 60 1.768 9.210 2.710 279 HA TYR 60 HA TYR 60 -0.204 10.167 4.658 280 1HB TYR 60 1HB TYR 60 1.568 11.640 3.818 281 2HB TYR 60 2HB TYR 60 0.987 11.404 2.166 282 HD1 TYR 60 HD1 TYR 60 0.055 12.850 5.506 283 HD2 TYR 60 HD2 TYR 60 -0.851 12.633 1.303 284 HE1 TYR 60 HE1 TYR 60 -1.604 14.679 5.765 285 HE2 TYR 60 HE2 TYR 60 -2.497 14.441 1.530 286 HH TYR 60 HH TYR 60 -3.560 15.866 2.978 287 H THR 61 H THR 61 -0.263 8.525 1.509 288 HA THR 61 HA THR 61 -2.727 9.542 0.527 289 HB THR 61 HB THR 61 -2.139 7.235 -0.801 290 HG1 THR 61 HG1 THR 61 0.391 7.585 -0.829 291 1HG2 THR 61 1HG2 THR 61 -2.304 9.532 -1.723 292 2HG2 THR 61 2HG2 THR 61 -0.635 9.843 -1.171 293 3HG2 THR 61 3HG2 THR 61 -0.976 8.563 -2.372 294 H ARG 62 H ARG 62 -4.467 9.150 1.882 295 HA ARG 62 HA ARG 62 -4.727 7.079 3.671 296 1HB ARG 62 1HB ARG 62 -6.127 9.109 3.496 297 2HB ARG 62 2HB ARG 62 -7.038 8.345 2.179 298 1HG ARG 62 1HG ARG 62 -7.772 6.552 3.709 299 2HG ARG 62 2HG ARG 62 -6.772 7.243 5.013 300 1HD ARG 62 1HD ARG 62 -8.044 9.371 4.809 301 2HD ARG 62 2HD ARG 62 -9.104 8.619 3.599 302 HE ARG 62 HE ARG 62 -9.300 6.903 5.735 303 1HH1 ARG 62 1HH1 ARG 62 -9.732 10.464 5.453 304 2HH1 ARG 62 2HH1 ARG 62 -10.896 10.454 6.770 305 1HH2 ARG 62 1HH2 ARG 62 -10.782 7.025 7.389 306 2HH2 ARG 62 2HH2 ARG 62 -11.474 8.559 7.870 307 HA PRO 63 HA PRO 63 -6.857 4.016 0.718 308 1HB PRO 63 1HB PRO 63 -6.335 4.083 -1.984 309 2HB PRO 63 2HB PRO 63 -7.734 4.898 -1.224 310 1HG PRO 63 1HG PRO 63 -5.058 6.119 -1.966 311 2HG PRO 63 2HG PRO 63 -6.697 6.744 -2.326 312 1HD PRO 63 1HD PRO 63 -5.296 7.680 -0.235 313 2HD PRO 63 2HD PRO 63 -7.050 7.386 -0.070 314 H HIS 64 H HIS 64 -3.599 5.286 -0.263 315 HA HIS 64 HA HIS 64 -2.496 2.653 -0.696 316 1HB HIS 64 1HB HIS 64 -1.128 5.283 0.026 317 2HB HIS 64 2HB HIS 64 -0.318 3.817 -0.484 318 HD1 HIS 64 HD1 HIS 64 0.284 6.233 -2.325 319 HD2 HIS 64 HD2 HIS 64 -2.881 3.496 -2.861 320 HE1 HIS 64 HE1 HIS 64 -0.296 6.307 -4.819 321 H ARG 65 H ARG 65 -2.956 4.746 2.143 322 HA ARG 65 HA ARG 65 -1.451 3.195 3.974 323 1HB ARG 65 1HB ARG 65 -2.514 5.650 4.098 324 2HB ARG 65 2HB ARG 65 -3.848 4.818 4.899 325 1HG ARG 65 1HG ARG 65 -2.275 3.860 6.553 326 2HG ARG 65 2HG ARG 65 -0.920 4.511 5.634 327 1HD ARG 65 1HD ARG 65 -1.110 6.044 7.343 328 2HD ARG 65 2HD ARG 65 -1.989 6.827 6.014 329 HE ARG 65 HE ARG 65 -3.985 5.506 7.275 330 1HH1 ARG 65 1HH1 ARG 65 -1.594 7.873 8.378 331 2HH1 ARG 65 2HH1 ARG 65 -2.318 8.115 9.942 332 1HH2 ARG 65 1HH2 ARG 65 -5.121 6.011 9.242 333 2HH2 ARG 65 2HH2 ARG 65 -4.501 7.249 10.272 334 H HIS 66 H HIS 66 -5.014 3.345 3.456 335 HA HIS 66 HA HIS 66 -5.849 1.288 5.063 336 1HB HIS 66 1HB HIS 66 -6.553 2.085 2.178 337 2HB HIS 66 2HB HIS 66 -7.415 0.792 2.960 338 HD1 HIS 66 HD1 HIS 66 -8.136 4.175 2.202 339 HD2 HIS 66 HD2 HIS 66 -8.452 1.540 5.413 340 HE1 HIS 66 HE1 HIS 66 -10.086 5.037 3.574 341 H ILE 67 H ILE 67 -4.571 0.890 1.759 342 HA ILE 67 HA ILE 67 -4.806 -1.934 1.720 343 HB ILE 67 HB ILE 67 -3.083 0.024 0.149 344 1HG1 ILE 67 1HG1 ILE 67 -5.685 -1.381 -0.642 345 2HG1 ILE 67 2HG1 ILE 67 -5.687 0.198 0.088 346 1HG2 ILE 67 1HG2 ILE 67 -2.261 -2.394 -0.007 347 2HG2 ILE 67 2HG2 ILE 67 -3.845 -2.793 -0.706 348 3HG2 ILE 67 3HG2 ILE 67 -2.756 -1.675 -1.541 349 1HD1 ILE 67 1HD1 ILE 67 -4.233 1.049 -1.788 350 2HD1 ILE 67 2HD1 ILE 67 -4.481 -0.532 -2.565 351 3HD1 ILE 67 3HD1 ILE 67 -5.865 0.522 -2.256 352 H PHE 68 H PHE 68 -1.957 0.192 2.554 353 HA PHE 68 HA PHE 68 -0.250 -1.977 3.160 354 1HB PHE 68 1HB PHE 68 0.390 0.469 2.841 355 2HB PHE 68 2HB PHE 68 -0.155 0.754 4.486 356 HD1 PHE 68 HD1 PHE 68 2.292 -1.104 2.369 357 HD2 PHE 68 HD2 PHE 68 1.168 -0.070 6.394 358 HE1 PHE 68 HE1 PHE 68 4.455 -1.958 3.201 359 HE2 PHE 68 HE2 PHE 68 3.358 -0.895 7.218 360 HZ PHE 68 HZ PHE 68 5.019 -1.822 5.623 361 H THR 69 H THR 69 -2.581 -0.208 5.392 362 HA THR 69 HA THR 69 -1.641 -1.616 7.711 363 HB THR 69 HB THR 69 -4.160 -0.093 6.980 364 HG1 THR 69 HG1 THR 69 -1.896 0.422 8.623 365 1HG2 THR 69 1HG2 THR 69 -4.729 -1.614 8.879 366 2HG2 THR 69 2HG2 THR 69 -3.352 -0.977 9.786 367 3HG2 THR 69 3HG2 THR 69 -4.700 0.092 9.362 368 H GLU 70 H GLU 70 -3.949 -2.406 5.134 369 HA GLU 70 HA GLU 70 -5.039 -4.655 6.587 370 1HB GLU 70 1HB GLU 70 -6.095 -3.270 4.601 371 2HB GLU 70 2HB GLU 70 -5.178 -4.356 3.579 372 1HG GLU 70 1HG GLU 70 -7.340 -5.355 3.870 373 2HG GLU 70 2HG GLU 70 -6.235 -6.286 4.852 374 H MET 71 H MET 71 -2.398 -4.227 4.185 375 HA MET 71 HA MET 71 -1.651 -6.997 3.997 376 1HB MET 71 1HB MET 71 0.047 -4.472 3.869 377 2HB MET 71 2HB MET 71 0.626 -6.092 3.490 378 1HG MET 71 1HG MET 71 -0.782 -6.257 1.567 379 2HG MET 71 2HG MET 71 -1.656 -4.785 1.990 380 1HE MET 71 1HE MET 71 0.022 -5.764 -0.762 381 2HE MET 71 2HE MET 71 -0.979 -4.288 -0.839 382 3HE MET 71 3HE MET 71 0.716 -4.224 -1.306 383 H ALA 72 H ALA 72 -0.631 -4.366 6.235 384 HA ALA 72 HA ALA 72 1.097 -5.902 7.829 385 1HB ALA 72 1HB ALA 72 0.928 -3.403 7.893 386 2HB ALA 72 2HB ALA 72 -0.632 -3.547 8.725 387 3HB ALA 72 3HB ALA 72 0.848 -4.134 9.501 388 H ARG 73 H ARG 73 -2.432 -5.423 8.110 389 HA ARG 73 HA ARG 73 -2.857 -6.916 10.525 390 1HB ARG 73 1HB ARG 73 -4.574 -5.451 9.524 391 2HB ARG 73 2HB ARG 73 -4.621 -6.442 8.086 392 1HG ARG 73 1HG ARG 73 -6.432 -7.371 9.016 393 2HG ARG 73 2HG ARG 73 -5.291 -8.385 9.819 394 1HD ARG 73 1HD ARG 73 -6.973 -7.593 11.366 395 2HD ARG 73 2HD ARG 73 -5.364 -7.063 11.836 396 HE ARG 73 HE ARG 73 -6.693 -5.237 12.217 397 1HH1 ARG 73 1HH1 ARG 73 -7.272 -5.903 8.795 398 2HH1 ARG 73 2HH1 ARG 73 -7.564 -4.287 8.343 399 1HH2 ARG 73 1HH2 ARG 73 -7.118 -3.162 11.748 400 2HH2 ARG 73 2HH2 ARG 73 -7.483 -2.615 10.128 401 H LEU 74 H LEU 74 -3.068 -7.951 7.028 402 HA LEU 74 HA LEU 74 -3.688 -10.613 7.590 403 1HB LEU 74 1HB LEU 74 -2.381 -9.094 5.317 404 2HB LEU 74 2HB LEU 74 -2.490 -10.835 5.242 405 HG LEU 74 HG LEU 74 -4.950 -9.121 5.737 406 1HD1 LEU 74 1HD1 LEU 74 -3.798 -10.012 3.060 407 2HD1 LEU 74 2HD1 LEU 74 -5.384 -9.270 3.320 408 3HD1 LEU 74 3HD1 LEU 74 -3.917 -8.347 3.674 409 1HD2 LEU 74 1HD2 LEU 74 -4.604 -11.921 4.577 410 2HD2 LEU 74 2HD2 LEU 74 -5.213 -11.543 6.207 411 3HD2 LEU 74 3HD2 LEU 74 -6.144 -11.073 4.778 412 H GLN 75 H GLN 75 -0.449 -9.093 7.102 413 HA GLN 75 HA GLN 75 0.992 -11.504 7.439 414 1HB GLN 75 1HB GLN 75 1.741 -9.077 6.692 415 2HB GLN 75 2HB GLN 75 1.891 -8.724 8.388 416 1HG GLN 75 1HG GLN 75 4.070 -9.260 7.708 417 2HG GLN 75 2HG GLN 75 3.528 -10.683 8.580 418 1HE2 GLN 75 2HE2 GLN 75 4.181 -9.337 5.326 419 2HE2 GLN 75 1HE2 GLN 75 4.292 -10.892 4.526 420 H GLU 76 H GLU 76 -0.070 -9.105 9.842 421 HA GLU 76 HA GLU 76 1.054 -10.410 12.122 422 1HB GLU 76 1HB GLU 76 0.279 -8.099 12.118 423 2HB GLU 76 2HB GLU 76 -1.399 -8.607 12.005 424 1HG GLU 76 1HG GLU 76 0.281 -9.689 14.280 425 2HG GLU 76 2HG GLU 76 -0.156 -7.984 14.308 426 H SER 77 H SER 77 -2.003 -10.918 10.384 427 HA SER 77 HA SER 77 -2.956 -13.046 12.085 428 1HB SER 77 1HB SER 77 -3.777 -11.693 9.625 429 2HB SER 77 2HB SER 77 -4.575 -13.200 10.037 430 HG SER 77 HG SER 77 -5.132 -12.280 12.054 431 H GLY 78 H GLY 78 -0.343 -13.053 10.002 432 1HA GLY 78 1HA GLY 78 0.944 -14.807 9.351 433 2HA GLY 78 2HA GLY 78 -0.214 -15.936 10.079 434 H SER 79 H SER 79 -1.048 -13.481 7.672 435 HA SER 79 HA SER 79 -2.100 -15.693 5.954 436 1HB SER 79 1HB SER 79 -3.141 -12.877 6.408 437 2HB SER 79 2HB SER 79 -3.882 -14.086 5.355 438 HG SER 79 HG SER 79 -3.366 -14.642 8.085 439 HA PRO 80 HA PRO 80 0.187 -14.085 2.471 440 1HB PRO 80 1HB PRO 80 -2.277 -14.044 0.801 441 2HB PRO 80 2HB PRO 80 -0.785 -14.969 0.573 442 1HG PRO 80 1HG PRO 80 -3.151 -16.133 1.409 443 2HG PRO 80 2HG PRO 80 -1.539 -16.736 1.898 444 1HD PRO 80 1HD PRO 80 -3.469 -15.086 3.462 445 2HD PRO 80 2HD PRO 80 -2.360 -16.383 3.990 446 H ILE 81 H ILE 81 0.331 -12.161 1.028 447 HA ILE 81 HA ILE 81 -1.673 -10.032 1.544 448 HB ILE 81 HB ILE 81 0.017 -8.343 1.702 449 1HG1 ILE 81 1HG1 ILE 81 2.159 -10.511 1.644 450 2HG1 ILE 81 2HG1 ILE 81 1.759 -9.450 0.285 451 1HG2 ILE 81 1HG2 ILE 81 -0.765 -9.545 3.757 452 2HG2 ILE 81 2HG2 ILE 81 0.704 -10.534 3.708 453 3HG2 ILE 81 3HG2 ILE 81 0.813 -8.778 3.941 454 1HD1 ILE 81 1HD1 ILE 81 2.306 -7.463 1.676 455 2HD1 ILE 81 2HD1 ILE 81 2.887 -8.567 2.948 456 3HD1 ILE 81 3HD1 ILE 81 3.675 -8.547 1.358 457 H ASP 82 H ASP 82 -1.068 -12.016 -0.622 458 HA ASP 82 HA ASP 82 -0.486 -10.426 -3.000 459 1HB ASP 82 1HB ASP 82 -1.362 -12.323 -4.284 460 2HB ASP 82 2HB ASP 82 -0.124 -12.809 -3.130 461 H LEU 83 H LEU 83 -2.167 -10.279 -4.715 462 HA LEU 83 HA LEU 83 -3.748 -8.196 -3.997 463 1HB LEU 83 1HB LEU 83 -2.908 -8.902 -6.282 464 2HB LEU 83 2HB LEU 83 -4.258 -10.011 -6.402 465 HG LEU 83 HG LEU 83 -4.671 -7.966 -7.619 466 1HD1 LEU 83 1HD1 LEU 83 -6.631 -9.004 -6.462 467 2HD1 LEU 83 2HD1 LEU 83 -6.539 -7.684 -5.280 468 3HD1 LEU 83 3HD1 LEU 83 -6.794 -7.309 -6.981 469 1HD2 LEU 83 1HD2 LEU 83 -3.228 -6.516 -6.169 470 2HD2 LEU 83 2HD2 LEU 83 -4.776 -5.806 -6.634 471 3HD2 LEU 83 3HD2 LEU 83 -4.554 -6.433 -4.992 472 H ILE 84 H ILE 84 -5.271 -11.382 -5.026 473 HA ILE 84 HA ILE 84 -7.751 -10.578 -4.335 474 HB ILE 84 HB ILE 84 -6.664 -13.419 -4.409 475 1HG1 ILE 84 1HG1 ILE 84 -7.377 -12.829 -6.975 476 2HG1 ILE 84 2HG1 ILE 84 -6.784 -11.289 -6.560 477 1HG2 ILE 84 1HG2 ILE 84 -9.086 -13.177 -3.880 478 2HG2 ILE 84 2HG2 ILE 84 -9.306 -12.208 -5.351 479 3HG2 ILE 84 3HG2 ILE 84 -8.839 -13.918 -5.466 480 1HD1 ILE 84 1HD1 ILE 84 -4.563 -12.462 -5.987 481 2HD1 ILE 84 2HD1 ILE 84 -5.342 -13.968 -6.512 482 3HD1 ILE 84 3HD1 ILE 84 -5.097 -12.640 -7.665 483 H THR 85 H THR 85 -5.376 -12.285 -2.283 484 HA THR 85 HA THR 85 -7.073 -12.781 -0.126 485 HB THR 85 HB THR 85 -4.117 -12.073 0.043 486 HG1 THR 85 HG1 THR 85 -4.209 -13.659 -1.434 487 1HG2 THR 85 1HG2 THR 85 -5.311 -12.296 2.228 488 2HG2 THR 85 2HG2 THR 85 -5.855 -13.919 1.746 489 3HG2 THR 85 3HG2 THR 85 -4.134 -13.575 1.979 490 H LEU 86 H LEU 86 -5.108 -9.990 -0.891 491 HA LEU 86 HA LEU 86 -5.663 -8.413 1.413 492 1HB LEU 86 1HB LEU 86 -3.784 -8.195 -0.253 493 2HB LEU 86 2HB LEU 86 -4.915 -7.496 -1.393 494 HG LEU 86 HG LEU 86 -5.349 -5.594 0.121 495 1HD1 LEU 86 1HD1 LEU 86 -3.263 -6.931 1.906 496 2HD1 LEU 86 2HD1 LEU 86 -3.821 -5.253 2.068 497 3HD1 LEU 86 3HD1 LEU 86 -4.958 -6.570 2.332 498 1HD2 LEU 86 1HD2 LEU 86 -2.461 -6.282 -0.559 499 2HD2 LEU 86 2HD2 LEU 86 -3.629 -5.365 -1.540 500 3HD2 LEU 86 3HD2 LEU 86 -2.991 -4.682 -0.026 501 H ALA 87 H ALA 87 -7.057 -8.475 -1.792 502 HA ALA 87 HA ALA 87 -8.985 -6.405 -1.553 503 1HB ALA 87 1HB ALA 87 -8.401 -7.492 -3.716 504 2HB ALA 87 2HB ALA 87 -9.191 -8.987 -3.172 505 3HB ALA 87 3HB ALA 87 -10.151 -7.518 -3.397 506 H GLU 88 H GLU 88 -9.415 -9.958 -1.044 507 HA GLU 88 HA GLU 88 -12.059 -9.744 -0.011 508 1HB GLU 88 1HB GLU 88 -9.885 -11.839 0.345 509 2HB GLU 88 2HB GLU 88 -11.515 -12.028 0.981 510 1HG GLU 88 1HG GLU 88 -10.830 -11.636 -1.969 511 2HG GLU 88 2HG GLU 88 -11.201 -13.172 -1.195 512 H SER 89 H SER 89 -8.924 -9.179 1.570 513 HA SER 89 HA SER 89 -9.955 -9.324 4.240 514 1HB SER 89 1HB SER 89 -7.532 -9.409 3.505 515 2HB SER 89 2HB SER 89 -7.580 -7.644 3.391 516 HG SER 89 HG SER 89 -7.971 -7.546 5.623 517 H LEU 90 H LEU 90 -9.359 -6.611 2.005 518 HA LEU 90 HA LEU 90 -10.564 -4.558 3.616 519 1HB LEU 90 1HB LEU 90 -9.988 -4.870 0.658 520 2HB LEU 90 2HB LEU 90 -10.883 -3.485 1.247 521 HG LEU 90 HG LEU 90 -8.131 -4.207 2.303 522 1HD1 LEU 90 1HD1 LEU 90 -8.878 -2.360 0.036 523 2HD1 LEU 90 2HD1 LEU 90 -7.265 -2.456 0.795 524 3HD1 LEU 90 3HD1 LEU 90 -7.924 -3.858 -0.061 525 1HD2 LEU 90 1HD2 LEU 90 -9.674 -1.565 2.393 526 2HD2 LEU 90 2HD2 LEU 90 -9.416 -2.648 3.777 527 3HD2 LEU 90 3HD2 LEU 90 -8.042 -1.844 3.030 528 H GLU 91 H GLU 91 -11.958 -6.834 1.215 529 HA GLU 91 HA GLU 91 -14.573 -5.711 1.359 530 1HB GLU 91 1HB GLU 91 -13.293 -7.941 0.038 531 2HB GLU 91 2HB GLU 91 -14.718 -8.578 0.867 532 1HG GLU 91 1HG GLU 91 -16.125 -6.896 -0.184 533 2HG GLU 91 2HG GLU 91 -14.717 -6.096 -0.888 534 H ARG 92 H ARG 92 -13.092 -8.303 3.376 535 HA ARG 92 HA ARG 92 -15.458 -8.554 4.997 536 1HB ARG 92 1HB ARG 92 -12.549 -9.117 5.685 537 2HB ARG 92 2HB ARG 92 -13.881 -9.329 6.827 538 1HG ARG 92 1HG ARG 92 -15.003 -10.775 5.000 539 2HG ARG 92 2HG ARG 92 -13.427 -10.835 4.226 540 1HD ARG 92 1HD ARG 92 -14.048 -11.718 7.088 541 2HD ARG 92 2HD ARG 92 -13.947 -12.791 5.685 542 HE ARG 92 HE ARG 92 -11.520 -11.553 5.637 543 1HH1 ARG 92 1HH1 ARG 92 -13.234 -13.627 7.985 544 2HH1 ARG 92 2HH1 ARG 92 -11.782 -14.232 8.698 545 1HH2 ARG 92 1HH2 ARG 92 -9.628 -12.220 6.710 546 2HH2 ARG 92 2HH2 ARG 92 -9.702 -13.457 7.924 547 H GLN 93 H GLN 93 -12.884 -6.104 5.036 548 HA GLN 93 HA GLN 93 -13.898 -4.788 7.431 549 1HB GLN 93 1HB GLN 93 -12.393 -3.512 5.109 550 2HB GLN 93 2HB GLN 93 -12.593 -2.846 6.710 551 1HG GLN 93 1HG GLN 93 -11.021 -5.347 6.069 552 2HG GLN 93 2HG GLN 93 -10.351 -3.749 6.231 553 1HE2 GLN 93 2HE2 GLN 93 -9.505 -5.879 7.730 554 2HE2 GLN 93 1HE2 GLN 93 -9.987 -5.733 9.422 555 H GLY 94 H GLY 94 -15.070 -4.909 4.079 556 1HA GLY 94 1HA GLY 94 -16.643 -3.673 2.993 557 2HA GLY 94 2HA GLY 94 -17.160 -3.019 4.558 558 H GLN 95 H GLN 95 -13.900 -2.887 3.146 559 HA GLN 95 HA GLN 95 -14.008 0.076 2.830 560 1HB GLN 95 1HB GLN 95 -11.789 -1.615 4.018 561 2HB GLN 95 2HB GLN 95 -11.602 0.072 3.547 562 1HG GLN 95 1HG GLN 95 -13.330 0.777 5.132 563 2HG GLN 95 2HG GLN 95 -13.554 -0.895 5.663 564 1HE2 GLN 95 2HE2 GLN 95 -12.868 1.043 7.553 565 2HE2 GLN 95 1HE2 GLN 95 -11.223 0.719 8.082 566 H LEU 96 H LEU 96 -14.000 -2.616 1.039 567 HA LEU 96 HA LEU 96 -11.697 -2.377 -0.705 568 1HB LEU 96 1HB LEU 96 -13.244 -4.365 -0.546 569 2HB LEU 96 2HB LEU 96 -14.467 -3.390 -1.366 570 HG LEU 96 HG LEU 96 -12.372 -2.995 -3.084 571 1HD1 LEU 96 1HD1 LEU 96 -10.851 -4.451 -1.746 572 2HD1 LEU 96 2HD1 LEU 96 -11.949 -5.817 -2.034 573 3HD1 LEU 96 3HD1 LEU 96 -11.115 -5.048 -3.399 574 1HD2 LEU 96 1HD2 LEU 96 -14.223 -5.392 -3.077 575 2HD2 LEU 96 2HD2 LEU 96 -14.588 -3.769 -3.713 576 3HD2 LEU 96 3HD2 LEU 96 -13.335 -4.766 -4.477 577 H ASP 97 H ASP 97 -15.067 -1.097 -0.768 578 HA ASP 97 HA ASP 97 -14.623 0.470 -3.145 579 1HB ASP 97 1HB ASP 97 -16.868 -0.188 -1.970 580 2HB ASP 97 2HB ASP 97 -16.640 1.320 -1.069 581 H SER 98 H SER 98 -14.326 1.165 0.323 582 HA SER 98 HA SER 98 -13.669 3.882 0.197 583 1HB SER 98 1HB SER 98 -14.257 2.403 2.226 584 2HB SER 98 2HB SER 98 -12.536 1.976 2.264 585 HG SER 98 HG SER 98 -12.208 4.331 2.240 586 H VAL 99 H VAL 99 -11.677 1.401 -1.136 587 HA VAL 99 HA VAL 99 -9.442 3.375 -1.136 588 HB VAL 99 HB VAL 99 -7.881 1.615 -1.485 589 1HG1 VAL 99 1HG1 VAL 99 -8.469 2.243 0.831 590 2HG1 VAL 99 2HG1 VAL 99 -9.635 0.918 0.913 591 3HG1 VAL 99 3HG1 VAL 99 -7.919 0.556 0.704 592 1HG2 VAL 99 1HG2 VAL 99 -9.393 -0.034 -2.686 593 2HG2 VAL 99 2HG2 VAL 99 -8.334 -0.718 -1.452 594 3HG2 VAL 99 3HG2 VAL 99 -10.051 -0.468 -1.090 595 H GLY 100 H GLY 100 -11.942 2.236 -3.034 596 1HA GLY 100 1HA GLY 100 -12.121 3.243 -5.231 597 2HA GLY 100 2HA GLY 100 -10.448 2.815 -5.564 598 H GLY 101 H GLY 101 -12.168 0.287 -3.886 599 1HA GLY 101 1HA GLY 101 -13.320 -1.559 -4.597 600 2HA GLY 101 2HA GLY 101 -13.410 -0.901 -6.235 601 H PHE 102 H PHE 102 -12.935 -3.381 -6.387 602 HA PHE 102 HA PHE 102 -10.278 -4.359 -5.989 603 1HB PHE 102 1HB PHE 102 -12.384 -5.718 -6.412 604 2HB PHE 102 2HB PHE 102 -12.237 -5.304 -8.114 605 HD1 PHE 102 HD1 PHE 102 -10.133 -6.124 -9.391 606 HD2 PHE 102 HD2 PHE 102 -11.121 -7.445 -5.407 607 HE1 PHE 102 HE1 PHE 102 -8.593 -8.046 -9.642 608 HE2 PHE 102 HE2 PHE 102 -9.553 -9.348 -5.655 609 HZ PHE 102 HZ PHE 102 -8.284 -9.669 -7.759 610 H ALA 103 H ALA 103 -11.776 -2.477 -8.641 611 HA ALA 103 HA ALA 103 -9.783 -2.763 -10.569 612 1HB ALA 103 1HB ALA 103 -11.910 -1.569 -10.973 613 2HB ALA 103 2HB ALA 103 -11.382 -0.252 -9.894 614 3HB ALA 103 3HB ALA 103 -10.524 -0.560 -11.416 615 H TYR 104 H TYR 104 -9.818 -0.413 -7.806 616 HA TYR 104 HA TYR 104 -7.387 0.863 -8.629 617 1HB TYR 104 1HB TYR 104 -9.129 1.766 -7.047 618 2HB TYR 104 2HB TYR 104 -8.561 0.645 -5.815 619 HD1 TYR 104 HD1 TYR 104 -7.726 3.601 -7.871 620 HD2 TYR 104 HD2 TYR 104 -6.466 1.135 -4.580 621 HE1 TYR 104 HE1 TYR 104 -6.173 5.367 -7.168 622 HE2 TYR 104 HE2 TYR 104 -4.868 2.878 -3.873 623 HH TYR 104 HH TYR 104 -3.726 4.985 -4.698 624 H LEU 105 H LEU 105 -8.066 -1.924 -6.537 625 HA LEU 105 HA LEU 105 -5.323 -2.333 -5.690 626 1HB LEU 105 1HB LEU 105 -7.558 -4.388 -5.993 627 2HB LEU 105 2HB LEU 105 -6.045 -4.605 -5.126 628 HG LEU 105 HG LEU 105 -8.276 -2.694 -4.346 629 1HD1 LEU 105 1HD1 LEU 105 -8.740 -5.087 -3.949 630 2HD1 LEU 105 2HD1 LEU 105 -7.221 -5.239 -3.037 631 3HD1 LEU 105 3HD1 LEU 105 -8.530 -4.200 -2.430 632 1HD2 LEU 105 1HD2 LEU 105 -5.575 -3.239 -3.029 633 2HD2 LEU 105 2HD2 LEU 105 -6.172 -1.692 -3.684 634 3HD2 LEU 105 3HD2 LEU 105 -6.934 -2.396 -2.256 635 H ALA 106 H ALA 106 -7.307 -3.595 -8.402 636 HA ALA 106 HA ALA 106 -5.364 -5.344 -9.410 637 1HB ALA 106 1HB ALA 106 -7.720 -3.916 -10.696 638 2HB ALA 106 2HB ALA 106 -6.750 -5.116 -11.547 639 3HB ALA 106 3HB ALA 106 -7.653 -5.580 -10.084 640 H GLU 107 H GLU 107 -5.922 -1.885 -9.989 641 HA GLU 107 HA GLU 107 -4.019 -1.485 -12.057 642 1HB GLU 107 1HB GLU 107 -5.644 0.230 -11.468 643 2HB GLU 107 2HB GLU 107 -4.980 0.383 -9.848 644 1HG GLU 107 1HG GLU 107 -2.853 1.245 -10.751 645 2HG GLU 107 2HG GLU 107 -3.429 0.989 -12.398 646 H LEU 108 H LEU 108 -3.649 -1.155 -8.483 647 HA LEU 108 HA LEU 108 -0.887 -0.617 -8.379 648 1HB LEU 108 1HB LEU 108 -2.612 -2.254 -6.478 649 2HB LEU 108 2HB LEU 108 -0.959 -1.813 -6.130 650 HG LEU 108 HG LEU 108 -3.133 0.245 -6.664 651 1HD1 LEU 108 1HD1 LEU 108 -2.122 -0.849 -4.008 652 2HD1 LEU 108 2HD1 LEU 108 -3.211 0.546 -4.226 653 3HD1 LEU 108 3HD1 LEU 108 -3.747 -1.074 -4.699 654 1HD2 LEU 108 1HD2 LEU 108 -0.368 0.353 -5.414 655 2HD2 LEU 108 2HD2 LEU 108 -0.860 1.066 -6.959 656 3HD2 LEU 108 3HD2 LEU 108 -1.513 1.713 -5.439 657 H SER 109 H SER 109 -2.554 -3.745 -8.350 658 HA SER 109 HA SER 109 -0.425 -5.421 -7.910 659 1HB SER 109 1HB SER 109 -3.045 -5.769 -8.254 660 2HB SER 109 2HB SER 109 -2.565 -6.227 -9.880 661 HG SER 109 HG SER 109 -0.947 -7.619 -8.499 662 H LYS 110 H LYS 110 -1.402 -3.841 -10.910 663 HA LYS 110 HA LYS 110 0.832 -5.125 -12.439 664 1HB LYS 110 1HB LYS 110 -1.540 -5.720 -13.138 665 2HB LYS 110 2HB LYS 110 -1.787 -4.019 -13.510 666 1HG LYS 110 1HG LYS 110 0.546 -4.608 -14.944 667 2HG LYS 110 2HG LYS 110 -0.299 -6.136 -15.002 668 1HD LYS 110 1HD LYS 110 -1.491 -3.450 -15.803 669 2HD LYS 110 2HD LYS 110 -0.802 -4.618 -16.932 670 1HE LYS 110 1HE LYS 110 -2.462 -6.283 -16.399 671 2HE LYS 110 2HE LYS 110 -3.081 -5.333 -15.045 672 1HZ LYS 110 1HZ LYS 110 -3.213 -4.443 -17.850 673 2HZ LYS 110 2HZ LYS 110 -4.439 -5.210 -17.052 674 3HZ LYS 110 3HZ LYS 110 -3.902 -3.712 -16.548 675 H ASN 111 H ASN 111 1.068 -2.814 -10.640 676 HA ASN 111 HA ASN 111 2.040 -0.842 -12.662 677 1HB ASN 111 1HB ASN 111 -0.013 0.061 -11.654 678 2HB ASN 111 2HB ASN 111 0.667 -0.187 -10.031 679 1HD2 ASN 111 2HD2 ASN 111 0.080 2.277 -10.026 680 2HD2 ASN 111 1HD2 ASN 111 1.356 3.337 -10.545 681 H THR 112 H THR 112 3.670 -2.841 -11.981 682 HA THR 112 HA THR 112 5.672 -1.374 -10.451 683 HB THR 112 HB THR 112 5.004 -4.250 -9.708 684 HG1 THR 112 HG1 THR 112 3.832 -1.994 -8.943 685 1HG2 THR 112 1HG2 THR 112 7.393 -3.590 -9.345 686 2HG2 THR 112 2HG2 THR 112 6.845 -2.209 -8.374 687 3HG2 THR 112 3HG2 THR 112 6.535 -3.858 -7.823 688 HA PRO 113 HA PRO 113 8.000 -3.602 -13.669 689 1HB PRO 113 1HB PRO 113 10.495 -2.650 -13.180 690 2HB PRO 113 2HB PRO 113 9.210 -1.633 -13.895 691 1HG PRO 113 1HG PRO 113 10.061 -1.739 -10.984 692 2HG PRO 113 2HG PRO 113 9.821 -0.298 -12.021 693 1HD PRO 113 1HD PRO 113 7.881 -1.235 -10.335 694 2HD PRO 113 2HD PRO 113 7.490 -0.464 -11.897 695 H SER 114 H SER 114 7.293 -5.513 -12.432 696 HA SER 114 HA SER 114 7.649 -7.480 -11.316 697 1HB SER 114 1HB SER 114 10.370 -7.009 -12.529 698 2HB SER 114 2HB SER 114 9.586 -8.582 -12.248 699 HG SER 114 HG SER 114 8.526 -8.323 -14.043 700 H ALA 115 H ALA 115 7.977 -5.432 -9.419 701 HA ALA 115 HA ALA 115 8.748 -4.842 -7.411 702 1HB ALA 115 1HB ALA 115 7.968 -7.089 -6.804 703 2HB ALA 115 2HB ALA 115 9.594 -7.739 -7.121 704 3HB ALA 115 3HB ALA 115 9.341 -6.570 -5.813 705 H ALA 116 H ALA 116 10.925 -5.248 -9.804 706 HA ALA 116 HA ALA 116 13.371 -5.768 -8.620 707 1HB ALA 116 1HB ALA 116 12.833 -5.739 -11.073 708 2HB ALA 116 2HB ALA 116 12.843 -3.962 -11.016 709 3HB ALA 116 3HB ALA 116 14.322 -4.879 -10.644 710 H ASN 117 H ASN 117 11.592 -2.827 -8.414 711 HA ASN 117 HA ASN 117 13.952 -1.397 -7.244 712 1HB ASN 117 1HB ASN 117 11.757 -0.286 -9.037 713 2HB ASN 117 2HB ASN 117 12.817 0.725 -8.060 714 1HD2 ASN 117 2HD2 ASN 117 12.861 1.189 -10.814 715 2HD2 ASN 117 1HD2 ASN 117 14.384 0.586 -11.413 716 H ILE 118 H ILE 118 11.559 -3.094 -6.083 717 HA ILE 118 HA ILE 118 9.725 -1.325 -4.912 718 HB ILE 118 HB ILE 118 9.713 -3.850 -5.154 719 1HG1 ILE 118 1HG1 ILE 118 8.676 -2.491 -2.654 720 2HG1 ILE 118 2HG1 ILE 118 7.886 -2.643 -4.226 721 1HG2 ILE 118 1HG2 ILE 118 11.809 -4.386 -3.956 722 2HG2 ILE 118 2HG2 ILE 118 10.978 -4.005 -2.420 723 3HG2 ILE 118 3HG2 ILE 118 10.415 -5.325 -3.461 724 1HD1 ILE 118 1HD1 ILE 118 7.870 -5.169 -3.863 725 2HD1 ILE 118 2HD1 ILE 118 8.375 -4.834 -2.195 726 3HD1 ILE 118 3HD1 ILE 118 6.836 -4.209 -2.775 727 H SER 119 H SER 119 12.668 -2.590 -3.594 728 HA SER 119 HA SER 119 12.705 -1.344 -1.105 729 1HB SER 119 1HB SER 119 15.307 -1.451 -2.622 730 2HB SER 119 2HB SER 119 14.955 -2.039 -0.998 731 HG SER 119 HG SER 119 14.094 -3.889 -1.839 732 H ALA 120 H ALA 120 13.661 -0.027 -4.197 733 HA ALA 120 HA ALA 120 14.801 2.440 -3.176 734 1HB ALA 120 1HB ALA 120 15.362 1.456 -5.461 735 2HB ALA 120 2HB ALA 120 13.727 1.894 -5.992 736 3HB ALA 120 3HB ALA 120 14.860 3.154 -5.497 737 H TYR 121 H TYR 121 11.622 1.430 -4.558 738 HA TYR 121 HA TYR 121 10.454 4.013 -4.398 739 1HB TYR 121 1HB TYR 121 9.218 1.233 -4.334 740 2HB TYR 121 2HB TYR 121 8.328 2.736 -4.473 741 HD1 TYR 121 HD1 TYR 121 9.711 4.368 -6.430 742 HD2 TYR 121 HD2 TYR 121 9.037 0.105 -6.394 743 HE1 TYR 121 HE1 TYR 121 9.650 4.372 -8.866 744 HE2 TYR 121 HE2 TYR 121 9.013 0.097 -8.870 745 HH TYR 121 HH TYR 121 8.926 3.116 -10.734 746 H ALA 122 H ALA 122 10.481 1.275 -2.016 747 HA ALA 122 HA ALA 122 8.866 2.591 -0.073 748 1HB ALA 122 1HB ALA 122 11.101 0.539 0.272 749 2HB ALA 122 2HB ALA 122 9.917 0.994 1.517 750 3HB ALA 122 3HB ALA 122 9.374 0.197 0.027 751 H ASP 123 H ASP 123 12.379 2.803 -0.740 752 HA ASP 123 HA ASP 123 13.103 4.362 1.523 753 1HB ASP 123 1HB ASP 123 14.545 3.166 -0.258 754 2HB ASP 123 2HB ASP 123 14.323 4.600 -1.243 755 H ILE 124 H ILE 124 11.811 5.248 -1.655 756 HA ILE 124 HA ILE 124 11.965 8.116 -1.269 757 HB ILE 124 HB ILE 124 10.413 6.425 -3.267 758 1HG1 ILE 124 1HG1 ILE 124 12.861 8.164 -3.777 759 2HG1 ILE 124 2HG1 ILE 124 13.032 6.505 -3.267 760 1HG2 ILE 124 1HG2 ILE 124 10.819 9.449 -3.219 761 2HG2 ILE 124 2HG2 ILE 124 10.148 8.532 -4.587 762 3HG2 ILE 124 3HG2 ILE 124 9.278 8.585 -3.061 763 1HD1 ILE 124 1HD1 ILE 124 11.727 5.728 -5.238 764 2HD1 ILE 124 2HD1 ILE 124 11.655 7.406 -5.823 765 3HD1 ILE 124 3HD1 ILE 124 13.217 6.584 -5.662 766 H VAL 125 H VAL 125 9.333 5.668 -0.687 767 HA VAL 125 HA VAL 125 7.439 7.695 0.071 768 HB VAL 125 HB VAL 125 7.531 4.863 1.153 769 1HG1 VAL 125 1HG1 VAL 125 5.253 6.873 0.811 770 2HG1 VAL 125 2HG1 VAL 125 5.057 5.196 1.364 771 3HG1 VAL 125 3HG1 VAL 125 5.960 6.346 2.348 772 1HG2 VAL 125 1HG2 VAL 125 6.564 5.927 -1.510 773 2HG2 VAL 125 2HG2 VAL 125 7.470 4.450 -1.144 774 3HG2 VAL 125 3HG2 VAL 125 5.771 4.520 -0.758 775 H ARG 126 H ARG 126 9.814 5.800 1.961 776 HA ARG 126 HA ARG 126 9.335 7.033 4.475 777 1HB ARG 126 1HB ARG 126 10.691 5.000 4.192 778 2HB ARG 126 2HB ARG 126 11.885 5.889 3.262 779 1HG ARG 126 1HG ARG 126 12.736 5.534 5.444 780 2HG ARG 126 2HG ARG 126 12.440 7.253 5.270 781 1HD ARG 126 1HD ARG 126 11.059 7.286 7.034 782 2HD ARG 126 2HD ARG 126 10.075 5.954 6.408 783 HE ARG 126 HE ARG 126 11.887 4.431 7.254 784 1HH1 ARG 126 1HH1 ARG 126 10.738 7.254 9.042 785 2HH1 ARG 126 2HH1 ARG 126 11.441 6.763 10.551 786 1HH2 ARG 126 1HH2 ARG 126 12.724 3.732 9.232 787 2HH2 ARG 126 2HH2 ARG 126 12.685 4.724 10.639 788 H GLU 127 H GLU 127 11.398 8.140 1.721 789 HA GLU 127 HA GLU 127 12.525 10.395 2.987 790 1HB GLU 127 1HB GLU 127 13.052 9.475 0.671 791 2HB GLU 127 2HB GLU 127 11.582 10.199 0.091 792 1HG GLU 127 1HG GLU 127 12.931 12.319 1.401 793 2HG GLU 127 2HG GLU 127 14.155 11.433 0.487 794 H ARG 128 H ARG 128 9.564 10.197 1.015 795 HA ARG 128 HA ARG 128 8.728 12.890 1.539 796 1HB ARG 128 1HB ARG 128 7.020 10.458 0.864 797 2HB ARG 128 2HB ARG 128 6.418 12.121 0.861 798 1HG ARG 128 1HG ARG 128 8.619 11.010 -0.922 799 2HG ARG 128 2HG ARG 128 6.956 11.324 -1.384 800 1HD ARG 128 1HD ARG 128 7.311 13.461 -1.805 801 2HD ARG 128 2HD ARG 128 8.088 13.748 -0.258 802 HE ARG 128 HE ARG 128 10.198 13.260 -1.173 803 1HH1 ARG 128 1HH1 ARG 128 7.689 12.845 -3.703 804 2HH1 ARG 128 2HH1 ARG 128 8.829 12.945 -5.005 805 1HH2 ARG 128 1HH2 ARG 128 11.626 12.963 -2.744 806 2HH2 ARG 128 2HH2 ARG 128 11.199 12.959 -4.437 807 H ALA 129 H ALA 129 8.220 9.967 3.484 808 HA ALA 129 HA ALA 129 6.378 11.206 5.315 809 1HB ALA 129 1HB ALA 129 6.706 8.753 5.030 810 2HB ALA 129 2HB ALA 129 8.292 8.893 5.814 811 3HB ALA 129 3HB ALA 129 6.822 9.303 6.715 812 H VAL 130 H VAL 130 9.992 10.829 5.291 813 HA VAL 130 HA VAL 130 10.368 12.132 7.811 814 HB VAL 130 HB VAL 130 12.192 11.540 5.458 815 1HG1 VAL 130 1HG1 VAL 130 12.955 12.710 8.162 816 2HG1 VAL 130 2HG1 VAL 130 14.094 12.078 6.952 817 3HG1 VAL 130 3HG1 VAL 130 13.133 13.518 6.584 818 1HG2 VAL 130 1HG2 VAL 130 11.364 9.618 6.855 819 2HG2 VAL 130 2HG2 VAL 130 13.101 9.871 7.029 820 3HG2 VAL 130 3HG2 VAL 130 11.985 10.415 8.301 821 H VAL 131 H VAL 131 10.185 13.340 4.453 822 HA VAL 131 HA VAL 131 10.704 16.083 5.042 823 HB VAL 131 HB VAL 131 9.131 14.648 2.867 824 1HG1 VAL 131 1HG1 VAL 131 9.833 17.605 2.921 825 2HG1 VAL 131 2HG1 VAL 131 9.206 16.710 1.519 826 3HG1 VAL 131 3HG1 VAL 131 8.192 16.908 2.949 827 1HG2 VAL 131 1HG2 VAL 131 11.665 14.378 2.955 828 2HG2 VAL 131 2HG2 VAL 131 11.045 15.081 1.464 829 3HG2 VAL 131 3HG2 VAL 131 11.780 16.133 2.685 830 H ARG 132 H ARG 132 7.670 14.146 5.213 831 HA ARG 132 HA ARG 132 6.034 16.347 6.052 832 1HB ARG 132 1HB ARG 132 4.904 14.549 5.106 833 2HB ARG 132 2HB ARG 132 5.749 13.328 6.026 834 1HG ARG 132 1HG ARG 132 3.820 15.216 7.403 835 2HG ARG 132 2HG ARG 132 3.246 13.818 6.502 836 1HD ARG 132 1HD ARG 132 4.416 12.252 7.900 837 2HD ARG 132 2HD ARG 132 5.268 13.546 8.753 838 HE ARG 132 HE ARG 132 2.311 13.506 8.823 839 1HH1 ARG 132 1HH1 ARG 132 5.021 12.141 10.538 840 2HH1 ARG 132 2HH1 ARG 132 4.435 12.468 12.115 841 1HH2 ARG 132 1HH2 ARG 132 1.468 14.015 10.903 842 2HH2 ARG 132 2HH2 ARG 132 2.332 13.553 12.340 843 H GLU 133 H GLU 133 8.143 14.257 7.899 844 HA GLU 133 HA GLU 133 6.862 15.230 10.378 845 1HB GLU 133 1HB GLU 133 7.853 13.604 11.534 846 2HB GLU 133 2HB GLU 133 7.748 12.856 9.961 847 1HG GLU 133 1HG GLU 133 10.144 13.364 9.564 848 2HG GLU 133 2HG GLU 133 10.233 14.184 11.129 849 H MET 134 H MET 134 9.846 15.853 8.582 850 HA MET 134 HA MET 134 10.958 17.477 10.745 851 1HB MET 134 1HB MET 134 12.053 16.621 8.036 852 2HB MET 134 2HB MET 134 12.947 17.568 9.226 853 1HG MET 134 1HG MET 134 12.571 15.749 10.911 854 2HG MET 134 2HG MET 134 11.876 14.777 9.615 855 1HE MET 134 1HE MET 134 15.118 16.083 11.318 856 2HE MET 134 2HE MET 134 16.364 15.799 10.086 857 3HE MET 134 3HE MET 134 15.169 17.093 9.852 858 H ILE 135 H ILE 135 8.539 18.507 9.269 859 HA ILE 135 HA ILE 135 8.912 20.548 7.527 860 HB ILE 135 HB ILE 135 7.184 20.862 10.009 861 1HG1 ILE 135 1HG1 ILE 135 6.637 18.694 9.077 862 2HG1 ILE 135 2HG1 ILE 135 5.330 19.842 8.867 863 1HG2 ILE 135 1HG2 ILE 135 7.044 22.058 7.221 864 2HG2 ILE 135 2HG2 ILE 135 5.709 22.147 8.401 865 3HG2 ILE 135 3HG2 ILE 135 7.259 22.905 8.754 866 1HD1 ILE 135 1HD1 ILE 135 5.939 20.164 6.488 867 2HD1 ILE 135 2HD1 ILE 135 7.266 19.008 6.698 868 3HD1 ILE 135 3HD1 ILE 135 5.583 18.472 6.864 869 H SER 136 H SER 136 9.228 21.048 11.081 870 HA SER 136 HA SER 136 10.037 22.760 12.326 871 1HB SER 136 1HB SER 136 11.974 23.239 10.028 872 2HB SER 136 2HB SER 136 12.099 23.890 11.665 873 HG SER 136 HG SER 136 13.380 22.064 11.394 Start of MODEL 2 1 1H MET 23 1H MET 23 1.073 18.353 -10.995 2 2H MET 23 2H MET 23 0.053 18.974 -12.140 3 3H MET 23 3H MET 23 1.166 19.946 -11.401 4 HA MET 23 HA MET 23 -0.849 20.469 -10.473 5 1HB MET 23 1HB MET 23 -1.372 17.610 -10.714 6 2HB MET 23 2HB MET 23 -1.662 18.151 -9.056 7 1HG MET 23 1HG MET 23 -2.834 19.360 -11.583 8 2HG MET 23 2HG MET 23 -3.692 18.414 -10.372 9 1HE MET 23 1HE MET 23 -5.499 20.430 -10.529 10 2HE MET 23 2HE MET 23 -5.135 22.118 -10.108 11 3HE MET 23 3HE MET 23 -4.462 21.408 -11.592 12 H LYS 24 H LYS 24 -0.863 21.211 -8.343 13 HA LYS 24 HA LYS 24 1.487 20.974 -6.770 14 1HB LYS 24 1HB LYS 24 0.375 22.236 -5.154 15 2HB LYS 24 2HB LYS 24 -0.330 22.792 -6.661 16 1HG LYS 24 1HG LYS 24 -1.581 20.925 -4.591 17 2HG LYS 24 2HG LYS 24 -2.016 22.590 -4.896 18 1HD LYS 24 1HD LYS 24 -2.901 21.983 -7.105 19 2HD LYS 24 2HD LYS 24 -2.445 20.298 -6.876 20 1HE LYS 24 1HE LYS 24 -3.851 20.074 -4.917 21 2HE LYS 24 2HE LYS 24 -4.355 21.764 -5.032 22 1HZ LYS 24 1HZ LYS 24 -4.880 19.767 -7.170 23 2HZ LYS 24 2HZ LYS 24 -5.934 20.134 -5.983 24 3HZ LYS 24 3HZ LYS 24 -5.510 21.301 -7.032 25 H VAL 25 H VAL 25 2.159 19.363 -5.280 26 HA VAL 25 HA VAL 25 0.047 18.028 -3.844 27 HB VAL 25 HB VAL 25 0.339 16.866 -6.157 28 1HG1 VAL 25 1HG1 VAL 25 2.816 16.609 -6.023 29 2HG1 VAL 25 2HG1 VAL 25 2.607 15.467 -4.679 30 3HG1 VAL 25 3HG1 VAL 25 1.962 15.076 -6.287 31 1HG2 VAL 25 1HG2 VAL 25 -1.114 16.037 -4.421 32 2HG2 VAL 25 2HG2 VAL 25 -0.298 14.714 -5.261 33 3HG2 VAL 25 3HG2 VAL 25 0.243 15.194 -3.642 34 HA PRO 26 HA PRO 26 3.345 18.404 -0.920 35 1HB PRO 26 1HB PRO 26 2.401 16.915 1.192 36 2HB PRO 26 2HB PRO 26 1.641 18.451 0.676 37 1HG PRO 26 1HG PRO 26 0.868 15.616 -0.109 38 2HG PRO 26 2HG PRO 26 -0.190 16.888 0.585 39 1HD PRO 26 1HD PRO 26 -0.098 16.538 -2.077 40 2HD PRO 26 2HD PRO 26 -0.061 18.186 -1.426 41 HA PRO 27 HA PRO 27 6.136 15.024 -1.250 42 1HB PRO 27 1HB PRO 27 7.256 14.677 1.270 43 2HB PRO 27 2HB PRO 27 7.651 16.002 0.146 44 1HG PRO 27 1HG PRO 27 5.664 16.053 2.431 45 2HG PRO 27 2HG PRO 27 6.956 17.240 2.063 46 1HD PRO 27 1HD PRO 27 4.448 17.725 1.257 47 2HD PRO 27 2HD PRO 27 5.789 18.020 0.125 48 H HIS 28 H HIS 28 5.230 13.057 -1.692 49 HA HIS 28 HA HIS 28 5.001 11.148 0.456 50 1HB HIS 28 1HB HIS 28 2.756 10.425 0.150 51 2HB HIS 28 2HB HIS 28 2.728 12.130 0.602 52 HD1 HIS 28 HD1 HIS 28 2.770 13.694 -2.048 53 HD2 HIS 28 HD2 HIS 28 1.008 9.875 -1.617 54 HE1 HIS 28 HE1 HIS 28 1.244 13.356 -4.049 55 H SER 29 H SER 29 4.765 11.887 -2.989 56 HA SER 29 HA SER 29 4.948 10.717 -4.860 57 1HB SER 29 1HB SER 29 6.655 8.872 -4.930 58 2HB SER 29 2HB SER 29 7.193 10.474 -4.426 59 HG SER 29 HG SER 29 6.362 8.838 -2.365 60 H ILE 30 H ILE 30 2.591 10.277 -4.515 61 HA ILE 30 HA ILE 30 1.433 7.920 -3.739 62 HB ILE 30 HB ILE 30 0.696 10.183 -5.175 63 1HG1 ILE 30 1HG1 ILE 30 -0.850 7.694 -4.473 64 2HG1 ILE 30 2HG1 ILE 30 -0.504 9.032 -3.419 65 1HG2 ILE 30 1HG2 ILE 30 1.095 9.313 -7.374 66 2HG2 ILE 30 2HG2 ILE 30 -0.034 7.955 -7.058 67 3HG2 ILE 30 3HG2 ILE 30 -0.592 9.639 -7.106 68 1HD1 ILE 30 1HD1 ILE 30 -1.959 10.456 -4.850 69 2HD1 ILE 30 2HD1 ILE 30 -2.330 9.013 -5.849 70 3HD1 ILE 30 3HD1 ILE 30 -2.805 9.043 -4.160 71 H GLU 31 H GLU 31 2.934 8.432 -6.888 72 HA GLU 31 HA GLU 31 2.325 5.791 -7.806 73 1HB GLU 31 1HB GLU 31 4.078 8.041 -8.757 74 2HB GLU 31 2HB GLU 31 4.178 6.441 -9.524 75 1HG GLU 31 1HG GLU 31 1.810 6.413 -10.006 76 2HG GLU 31 2HG GLU 31 1.472 7.729 -8.931 77 H ALA 32 H ALA 32 5.017 6.923 -5.932 78 HA ALA 32 HA ALA 32 6.552 4.439 -6.122 79 1HB ALA 32 1HB ALA 32 7.559 6.640 -5.431 80 2HB ALA 32 2HB ALA 32 6.645 6.529 -3.912 81 3HB ALA 32 3HB ALA 32 7.853 5.299 -4.301 82 H GLU 33 H GLU 33 4.190 5.877 -3.816 83 HA GLU 33 HA GLU 33 3.967 3.730 -2.022 84 1HB GLU 33 1HB GLU 33 1.790 5.625 -2.999 85 2HB GLU 33 2HB GLU 33 1.586 4.536 -1.681 86 1HG GLU 33 1HG GLU 33 3.325 5.753 -0.399 87 2HG GLU 33 2HG GLU 33 3.524 6.868 -1.746 88 H GLN 34 H GLN 34 2.335 4.173 -5.183 89 HA GLN 34 HA GLN 34 0.844 1.757 -5.130 90 1HB GLN 34 1HB GLN 34 1.968 3.160 -7.608 91 2HB GLN 34 2HB GLN 34 0.772 1.867 -7.580 92 1HG GLN 34 1HG GLN 34 -0.451 3.516 -5.899 93 2HG GLN 34 2HG GLN 34 0.472 4.743 -6.776 94 1HE2 GLN 34 2HE2 GLN 34 -2.400 4.476 -6.657 95 2HE2 GLN 34 1HE2 GLN 34 -2.952 4.192 -8.296 96 H SER 35 H SER 35 4.078 2.304 -6.710 97 HA SER 35 HA SER 35 4.303 -0.365 -7.591 98 1HB SER 35 1HB SER 35 6.466 1.665 -6.906 99 2HB SER 35 2HB SER 35 6.722 0.169 -7.825 100 HG SER 35 HG SER 35 6.116 2.427 -8.802 101 H VAL 36 H VAL 36 5.061 1.011 -4.381 102 HA VAL 36 HA VAL 36 6.500 -1.341 -3.494 103 HB VAL 36 HB VAL 36 5.052 0.896 -1.999 104 1HG1 VAL 36 1HG1 VAL 36 6.837 -1.309 -0.885 105 2HG1 VAL 36 2HG1 VAL 36 6.345 0.143 0.012 106 3HG1 VAL 36 3HG1 VAL 36 5.129 -1.035 -0.491 107 1HG2 VAL 36 1HG2 VAL 36 7.111 1.541 -3.292 108 2HG2 VAL 36 2HG2 VAL 36 7.281 1.746 -1.553 109 3HG2 VAL 36 3HG2 VAL 36 8.033 0.349 -2.368 110 H LEU 37 H LEU 37 3.090 -0.252 -2.978 111 HA LEU 37 HA LEU 37 2.409 -2.658 -1.585 112 1HB LEU 37 1HB LEU 37 0.697 -0.616 -3.051 113 2HB LEU 37 2HB LEU 37 0.030 -1.915 -2.056 114 HG LEU 37 HG LEU 37 1.984 0.180 -0.993 115 1HD1 LEU 37 1HD1 LEU 37 -1.049 0.106 -0.857 116 2HD1 LEU 37 2HD1 LEU 37 0.003 1.216 0.050 117 3HD1 LEU 37 3HD1 LEU 37 -0.043 1.290 -1.722 118 1HD2 LEU 37 1HD2 LEU 37 0.199 -1.829 0.452 119 2HD2 LEU 37 2HD2 LEU 37 1.972 -1.847 0.386 120 3HD2 LEU 37 3HD2 LEU 37 1.150 -0.540 1.220 121 H GLY 38 H GLY 38 2.073 -1.780 -5.049 122 1HA GLY 38 1HA GLY 38 0.850 -4.282 -5.812 123 2HA GLY 38 2HA GLY 38 1.647 -3.116 -6.870 124 H GLY 39 H GLY 39 4.258 -3.223 -5.289 125 1HA GLY 39 1HA GLY 39 5.577 -5.404 -6.576 126 2HA GLY 39 2HA GLY 39 6.207 -4.333 -5.320 127 H LEU 40 H LEU 40 4.396 -4.871 -3.248 128 HA LEU 40 HA LEU 40 5.447 -7.303 -2.174 129 1HB LEU 40 1HB LEU 40 3.124 -5.495 -1.404 130 2HB LEU 40 2HB LEU 40 3.567 -6.908 -0.462 131 HG LEU 40 HG LEU 40 5.437 -4.567 -1.049 132 1HD1 LEU 40 1HD1 LEU 40 3.815 -5.289 1.419 133 2HD1 LEU 40 2HD1 LEU 40 5.094 -4.068 1.368 134 3HD1 LEU 40 3HD1 LEU 40 3.634 -3.855 0.398 135 1HD2 LEU 40 1HD2 LEU 40 5.740 -6.998 0.753 136 2HD2 LEU 40 2HD2 LEU 40 6.739 -6.592 -0.655 137 3HD2 LEU 40 3HD2 LEU 40 6.811 -5.571 0.774 138 H MET 41 H MET 41 2.509 -6.695 -4.044 139 HA MET 41 HA MET 41 1.309 -9.253 -3.514 140 1HB MET 41 1HB MET 41 1.062 -7.537 -6.006 141 2HB MET 41 2HB MET 41 -0.008 -8.849 -5.550 142 1HG MET 41 1HG MET 41 -0.786 -7.589 -3.597 143 2HG MET 41 2HG MET 41 0.365 -6.297 -3.957 144 1HE MET 41 1HE MET 41 -2.350 -5.197 -3.524 145 2HE MET 41 2HE MET 41 -1.073 -4.218 -4.283 146 3HE MET 41 3HE MET 41 -2.704 -4.262 -4.997 147 H LEU 42 H LEU 42 4.067 -8.305 -5.514 148 HA LEU 42 HA LEU 42 4.032 -10.810 -7.059 149 1HB LEU 42 1HB LEU 42 6.152 -8.635 -6.857 150 2HB LEU 42 2HB LEU 42 6.399 -10.151 -7.655 151 HG LEU 42 HG LEU 42 4.017 -9.259 -8.842 152 1HD1 LEU 42 1HD1 LEU 42 6.003 -6.967 -8.481 153 2HD1 LEU 42 2HD1 LEU 42 4.627 -6.970 -9.617 154 3HD1 LEU 42 3HD1 LEU 42 4.351 -7.049 -7.873 155 1HD2 LEU 42 1HD2 LEU 42 6.915 -9.084 -9.786 156 2HD2 LEU 42 2HD2 LEU 42 5.802 -10.448 -9.993 157 3HD2 LEU 42 3HD2 LEU 42 5.482 -8.927 -10.830 158 H ASP 43 H ASP 43 5.641 -9.471 -4.217 159 HA ASP 43 HA ASP 43 6.792 -12.159 -3.713 160 1HB ASP 43 1HB ASP 43 8.329 -10.758 -5.138 161 2HB ASP 43 2HB ASP 43 8.651 -9.789 -3.689 162 H ASN 44 H ASN 44 5.797 -12.552 -2.023 163 HA ASN 44 HA ASN 44 4.891 -10.743 -0.028 164 1HB ASN 44 1HB ASN 44 5.306 -13.769 0.116 165 2HB ASN 44 2HB ASN 44 4.588 -12.815 1.397 166 1HD2 ASN 44 2HD2 ASN 44 4.046 -13.501 -2.141 167 2HD2 ASN 44 1HD2 ASN 44 2.306 -13.388 -1.986 168 H GLU 45 H GLU 45 8.037 -12.390 -0.339 169 HA GLU 45 HA GLU 45 8.713 -12.041 2.496 170 1HB GLU 45 1HB GLU 45 10.335 -12.871 0.052 171 2HB GLU 45 2HB GLU 45 11.017 -12.623 1.656 172 1HG GLU 45 1HG GLU 45 9.103 -14.276 2.436 173 2HG GLU 45 2HG GLU 45 9.184 -14.809 0.750 174 H ARG 46 H ARG 46 8.810 -9.962 -0.324 175 HA ARG 46 HA ARG 46 10.900 -8.253 0.810 176 1HB ARG 46 1HB ARG 46 8.796 -7.701 -1.317 177 2HB ARG 46 2HB ARG 46 10.137 -6.632 -0.928 178 1HG ARG 46 1HG ARG 46 10.590 -9.499 -1.877 179 2HG ARG 46 2HG ARG 46 10.317 -8.169 -2.976 180 1HD ARG 46 1HD ARG 46 12.634 -8.442 -2.904 181 2HD ARG 46 2HD ARG 46 12.290 -6.966 -2.022 182 HE ARG 46 HE ARG 46 12.734 -8.156 0.090 183 1HH1 ARG 46 1HH1 ARG 46 13.711 -10.205 -2.556 184 2HH1 ARG 46 2HH1 ARG 46 15.324 -10.457 -1.987 185 1HH2 ARG 46 1HH2 ARG 46 14.588 -8.694 1.018 186 2HH2 ARG 46 2HH2 ARG 46 15.824 -9.642 0.254 187 H TRP 47 H TRP 47 7.774 -8.939 1.839 188 HA TRP 47 HA TRP 47 6.741 -6.529 2.853 189 1HB TRP 47 1HB TRP 47 5.611 -8.677 3.231 190 2HB TRP 47 2HB TRP 47 7.004 -9.306 4.116 191 HD1 TRP 47 HD1 TRP 47 7.227 -8.708 6.653 192 HE1 TRP 47 HE1 TRP 47 5.935 -7.295 8.315 193 HE3 TRP 47 HE3 TRP 47 4.031 -6.453 3.382 194 HZ2 TRP 47 HZ2 TRP 47 3.863 -5.225 8.197 195 HZ3 TRP 47 HZ3 TRP 47 2.522 -4.649 4.144 196 HH2 TRP 47 HH2 TRP 47 2.449 -4.006 6.524 197 H ASP 48 H ASP 48 9.367 -8.527 4.251 198 HA ASP 48 HA ASP 48 9.706 -6.737 6.489 199 1HB ASP 48 1HB ASP 48 11.162 -9.089 5.300 200 2HB ASP 48 2HB ASP 48 12.069 -8.016 6.337 201 H ASP 49 H ASP 49 10.917 -6.661 3.250 202 HA ASP 49 HA ASP 49 13.318 -5.042 3.828 203 1HB ASP 49 1HB ASP 49 11.893 -5.714 1.215 204 2HB ASP 49 2HB ASP 49 13.237 -4.579 1.331 205 H VAL 50 H VAL 50 10.104 -4.622 2.425 206 HA VAL 50 HA VAL 50 10.086 -1.755 2.290 207 HB VAL 50 HB VAL 50 8.018 -3.986 2.389 208 1HG1 VAL 50 1HG1 VAL 50 7.574 -0.992 1.855 209 2HG1 VAL 50 2HG1 VAL 50 6.360 -2.248 1.562 210 3HG1 VAL 50 3HG1 VAL 50 6.893 -1.918 3.208 211 1HG2 VAL 50 1HG2 VAL 50 9.033 -2.209 0.112 212 2HG2 VAL 50 2HG2 VAL 50 9.401 -3.928 0.347 213 3HG2 VAL 50 3HG2 VAL 50 7.751 -3.433 -0.030 214 H ALA 51 H ALA 51 8.998 -4.134 4.837 215 HA ALA 51 HA ALA 51 8.128 -2.101 6.579 216 1HB ALA 51 1HB ALA 51 7.574 -4.567 6.842 217 2HB ALA 51 2HB ALA 51 9.247 -4.825 7.386 218 3HB ALA 51 3HB ALA 51 8.142 -3.829 8.326 219 H GLU 52 H GLU 52 11.393 -3.053 5.937 220 HA GLU 52 HA GLU 52 12.421 -1.452 8.076 221 1HB GLU 52 1HB GLU 52 13.468 -3.488 6.157 222 2HB GLU 52 2HB GLU 52 14.619 -2.268 6.681 223 1HG GLU 52 1HG GLU 52 12.878 -3.789 8.650 224 2HG GLU 52 2HG GLU 52 14.476 -4.336 8.132 225 H ARG 53 H ARG 53 11.252 -0.751 5.070 226 HA ARG 53 HA ARG 53 13.026 1.653 4.804 227 1HB ARG 53 1HB ARG 53 10.965 0.440 2.919 228 2HB ARG 53 2HB ARG 53 11.753 1.993 2.658 229 1HG ARG 53 1HG ARG 53 13.174 -0.706 2.737 230 2HG ARG 53 2HG ARG 53 12.720 0.199 1.314 231 1HD ARG 53 1HD ARG 53 14.890 0.861 1.470 232 2HD ARG 53 2HD ARG 53 14.100 2.139 2.404 233 HE ARG 53 HE ARG 53 14.886 -0.078 4.085 234 1HH1 ARG 53 1HH1 ARG 53 16.195 2.729 2.320 235 2HH1 ARG 53 2HH1 ARG 53 17.741 2.672 3.084 236 1HH2 ARG 53 1HH2 ARG 53 16.787 0.141 5.446 237 2HH2 ARG 53 2HH2 ARG 53 18.068 1.193 4.948 238 H VAL 54 H VAL 54 9.650 0.534 5.342 239 HA VAL 54 HA VAL 54 8.895 3.217 6.273 240 HB VAL 54 HB VAL 54 6.907 2.889 4.716 241 1HG1 VAL 54 1HG1 VAL 54 8.702 4.552 4.256 242 2HG1 VAL 54 2HG1 VAL 54 9.506 3.346 3.226 243 3HG1 VAL 54 3HG1 VAL 54 7.898 3.944 2.795 244 1HG2 VAL 54 1HG2 VAL 54 7.202 0.544 4.067 245 2HG2 VAL 54 2HG2 VAL 54 7.160 1.601 2.643 246 3HG2 VAL 54 3HG2 VAL 54 8.690 0.962 3.208 247 H VAL 55 H VAL 55 6.776 3.198 7.205 248 HA VAL 55 HA VAL 55 5.588 0.552 7.851 249 HB VAL 55 HB VAL 55 4.844 1.629 10.018 250 1HG1 VAL 55 1HG1 VAL 55 6.654 -0.068 9.911 251 2HG1 VAL 55 2HG1 VAL 55 7.853 1.210 9.648 252 3HG1 VAL 55 3HG1 VAL 55 6.963 1.132 11.174 253 1HG2 VAL 55 1HG2 VAL 55 5.475 4.012 9.299 254 2HG2 VAL 55 2HG2 VAL 55 6.035 3.517 10.912 255 3HG2 VAL 55 3HG2 VAL 55 7.158 3.533 9.552 256 H ALA 56 H ALA 56 3.140 0.938 8.392 257 HA ALA 56 HA ALA 56 2.025 2.113 6.055 258 1HB ALA 56 1HB ALA 56 0.871 0.402 7.605 259 2HB ALA 56 2HB ALA 56 0.529 1.755 8.697 260 3HB ALA 56 3HB ALA 56 -0.143 1.749 7.058 261 H ASP 57 H ASP 57 2.676 3.452 9.250 262 HA ASP 57 HA ASP 57 1.266 5.843 9.098 263 1HB ASP 57 1HB ASP 57 3.827 4.984 10.471 264 2HB ASP 57 2HB ASP 57 3.408 6.687 10.487 265 H ASP 58 H ASP 58 4.118 4.992 7.204 266 HA ASP 58 HA ASP 58 4.899 7.748 6.677 267 1HB ASP 58 1HB ASP 58 5.801 5.040 5.614 268 2HB ASP 58 2HB ASP 58 6.414 6.563 5.029 269 H PHE 59 H PHE 59 2.543 5.538 5.375 270 HA PHE 59 HA PHE 59 2.627 6.641 2.645 271 1HB PHE 59 1HB PHE 59 0.958 4.536 4.044 272 2HB PHE 59 2HB PHE 59 0.436 5.251 2.524 273 HD1 PHE 59 HD1 PHE 59 3.646 3.883 3.983 274 HD2 PHE 59 HD2 PHE 59 1.049 4.150 0.580 275 HE1 PHE 59 HE1 PHE 59 5.253 2.592 2.657 276 HE2 PHE 59 HE2 PHE 59 2.498 2.548 -0.646 277 HZ PHE 59 HZ PHE 59 4.655 1.825 0.346 278 H TYR 60 H TYR 60 1.609 8.417 2.096 279 HA TYR 60 HA TYR 60 0.316 10.016 4.184 280 1HB TYR 60 1HB TYR 60 1.890 10.961 2.524 281 2HB TYR 60 2HB TYR 60 0.782 10.504 1.221 282 HD1 TYR 60 HD1 TYR 60 1.192 12.685 4.192 283 HD2 TYR 60 HD2 TYR 60 -1.144 11.849 0.674 284 HE1 TYR 60 HE1 TYR 60 -0.067 14.796 4.544 285 HE2 TYR 60 HE2 TYR 60 -2.463 13.911 1.048 286 HH TYR 60 HH TYR 60 -1.853 16.093 3.835 287 H THR 61 H THR 61 -0.708 8.335 1.142 288 HA THR 61 HA THR 61 -3.288 9.677 1.269 289 HB THR 61 HB THR 61 -3.751 8.441 -0.791 290 HG1 THR 61 HG1 THR 61 -1.100 7.456 -0.889 291 1HG2 THR 61 1HG2 THR 61 -2.485 10.599 -0.769 292 2HG2 THR 61 2HG2 THR 61 -0.971 9.653 -0.822 293 3HG2 THR 61 3HG2 THR 61 -2.142 9.565 -2.147 294 H ARG 62 H ARG 62 -5.105 8.967 2.175 295 HA ARG 62 HA ARG 62 -5.299 6.877 3.945 296 1HB ARG 62 1HB ARG 62 -7.041 8.791 3.005 297 2HB ARG 62 2HB ARG 62 -7.823 7.327 2.436 298 1HG ARG 62 1HG ARG 62 -7.781 6.450 4.786 299 2HG ARG 62 2HG ARG 62 -6.969 7.947 5.297 300 1HD ARG 62 1HD ARG 62 -8.958 9.207 4.229 301 2HD ARG 62 2HD ARG 62 -9.763 7.644 4.134 302 HE ARG 62 HE ARG 62 -9.927 7.537 6.467 303 1HH1 ARG 62 1HH1 ARG 62 -8.240 10.586 5.527 304 2HH1 ARG 62 2HH1 ARG 62 -8.709 11.362 7.021 305 1HH2 ARG 62 1HH2 ARG 62 -10.426 8.700 8.441 306 2HH2 ARG 62 2HH2 ARG 62 -9.815 10.311 8.635 307 HA PRO 63 HA PRO 63 -7.028 3.782 0.742 308 1HB PRO 63 1HB PRO 63 -6.144 3.948 -1.891 309 2HB PRO 63 2HB PRO 63 -7.674 4.644 -1.283 310 1HG PRO 63 1HG PRO 63 -5.034 6.069 -1.652 311 2HG PRO 63 2HG PRO 63 -6.667 6.592 -2.174 312 1HD PRO 63 1HD PRO 63 -5.632 7.548 0.065 313 2HD PRO 63 2HD PRO 63 -7.340 7.061 0.048 314 H HIS 64 H HIS 64 -3.701 5.060 -0.162 315 HA HIS 64 HA HIS 64 -2.705 2.358 -0.365 316 1HB HIS 64 1HB HIS 64 -1.189 4.949 0.036 317 2HB HIS 64 2HB HIS 64 -0.541 3.394 -0.471 318 HD1 HIS 64 HD1 HIS 64 -0.221 5.967 -2.181 319 HD2 HIS 64 HD2 HIS 64 -3.025 2.887 -2.697 320 HE1 HIS 64 HE1 HIS 64 -0.652 5.785 -4.770 321 H ARG 65 H ARG 65 -2.954 4.719 2.301 322 HA ARG 65 HA ARG 65 -1.375 3.304 4.196 323 1HB ARG 65 1HB ARG 65 -2.678 5.727 4.131 324 2HB ARG 65 2HB ARG 65 -3.751 4.858 5.205 325 1HG ARG 65 1HG ARG 65 -0.734 5.030 5.516 326 2HG ARG 65 2HG ARG 65 -1.801 6.259 6.148 327 1HD ARG 65 1HD ARG 65 -1.889 3.346 7.032 328 2HD ARG 65 2HD ARG 65 -1.055 4.644 7.870 329 HE ARG 65 HE ARG 65 -3.060 5.813 8.237 330 1HH1 ARG 65 1HH1 ARG 65 -3.557 2.338 7.481 331 2HH1 ARG 65 2HH1 ARG 65 -5.096 2.327 8.259 332 1HH2 ARG 65 1HH2 ARG 65 -5.229 5.764 8.920 333 2HH2 ARG 65 2HH2 ARG 65 -6.261 4.435 8.539 334 H HIS 66 H HIS 66 -4.941 3.204 3.575 335 HA HIS 66 HA HIS 66 -5.670 1.157 5.284 336 1HB HIS 66 1HB HIS 66 -6.567 2.149 2.544 337 2HB HIS 66 2HB HIS 66 -7.295 0.711 3.232 338 HD1 HIS 66 HD1 HIS 66 -8.362 4.119 3.005 339 HD2 HIS 66 HD2 HIS 66 -7.997 1.088 5.826 340 HE1 HIS 66 HE1 HIS 66 -9.956 4.756 4.863 341 H ILE 67 H ILE 67 -4.516 0.850 1.888 342 HA ILE 67 HA ILE 67 -4.715 -1.974 1.821 343 HB ILE 67 HB ILE 67 -3.075 0.018 0.222 344 1HG1 ILE 67 1HG1 ILE 67 -5.577 -1.506 -0.631 345 2HG1 ILE 67 2HG1 ILE 67 -5.709 0.013 0.212 346 1HG2 ILE 67 1HG2 ILE 67 -2.087 -2.298 0.005 347 2HG2 ILE 67 2HG2 ILE 67 -3.682 -2.870 -0.525 348 3HG2 ILE 67 3HG2 ILE 67 -2.774 -1.703 -1.504 349 1HD1 ILE 67 1HD1 ILE 67 -4.319 1.114 -1.579 350 2HD1 ILE 67 2HD1 ILE 67 -4.390 -0.419 -2.475 351 3HD1 ILE 67 3HD1 ILE 67 -5.877 0.474 -2.132 352 H PHE 68 H PHE 68 -1.893 0.134 2.648 353 HA PHE 68 HA PHE 68 -0.033 -1.914 3.173 354 1HB PHE 68 1HB PHE 68 0.257 0.649 3.070 355 2HB PHE 68 2HB PHE 68 -0.253 0.685 4.740 356 HD1 PHE 68 HD1 PHE 68 1.203 -1.352 6.204 357 HD2 PHE 68 HD2 PHE 68 2.508 0.900 2.756 358 HE1 PHE 68 HE1 PHE 68 3.522 -1.625 6.909 359 HE2 PHE 68 HE2 PHE 68 4.858 0.602 3.494 360 HZ PHE 68 HZ PHE 68 5.379 -0.598 5.568 361 H THR 69 H THR 69 -2.402 -0.321 5.467 362 HA THR 69 HA THR 69 -1.635 -1.974 7.662 363 HB THR 69 HB THR 69 -4.181 -0.413 7.035 364 HG1 THR 69 HG1 THR 69 -1.779 0.032 8.450 365 1HG2 THR 69 1HG2 THR 69 -3.261 -1.642 9.674 366 2HG2 THR 69 2HG2 THR 69 -4.527 -0.418 9.527 367 3HG2 THR 69 3HG2 THR 69 -4.761 -2.003 8.785 368 H GLU 70 H GLU 70 -3.977 -2.549 5.000 369 HA GLU 70 HA GLU 70 -5.056 -4.871 6.268 370 1HB GLU 70 1HB GLU 70 -5.966 -3.511 4.201 371 2HB GLU 70 2HB GLU 70 -4.918 -4.546 3.259 372 1HG GLU 70 1HG GLU 70 -7.075 -5.652 3.360 373 2HG GLU 70 2HG GLU 70 -6.010 -6.558 4.406 374 H MET 71 H MET 71 -2.285 -4.402 4.024 375 HA MET 71 HA MET 71 -1.543 -7.149 3.829 376 1HB MET 71 1HB MET 71 0.150 -4.610 3.715 377 2HB MET 71 2HB MET 71 0.779 -6.232 3.443 378 1HG MET 71 1HG MET 71 -0.952 -6.516 1.635 379 2HG MET 71 2HG MET 71 -1.300 -4.790 1.775 380 1HE MET 71 1HE MET 71 -0.341 -6.764 -0.615 381 2HE MET 71 2HE MET 71 -0.601 -5.082 -1.144 382 3HE MET 71 3HE MET 71 0.920 -5.917 -1.512 383 H ALA 72 H ALA 72 -0.515 -4.630 6.175 384 HA ALA 72 HA ALA 72 1.140 -6.242 7.801 385 1HB ALA 72 1HB ALA 72 0.906 -3.744 7.989 386 2HB ALA 72 2HB ALA 72 -0.679 -3.967 8.728 387 3HB ALA 72 3HB ALA 72 0.771 -4.584 9.542 388 H ARG 73 H ARG 73 -2.420 -5.818 7.862 389 HA ARG 73 HA ARG 73 -2.741 -7.409 10.307 390 1HB ARG 73 1HB ARG 73 -4.590 -5.977 8.407 391 2HB ARG 73 2HB ARG 73 -5.222 -7.328 9.324 392 1HG ARG 73 1HG ARG 73 -5.741 -5.368 10.493 393 2HG ARG 73 2HG ARG 73 -4.649 -6.351 11.446 394 1HD ARG 73 1HD ARG 73 -3.862 -3.876 9.851 395 2HD ARG 73 2HD ARG 73 -4.215 -3.882 11.565 396 HE ARG 73 HE ARG 73 -1.802 -4.758 10.245 397 1HH1 ARG 73 1HH1 ARG 73 -3.599 -4.902 13.305 398 2HH1 ARG 73 2HH1 ARG 73 -2.561 -6.119 13.984 399 1HH2 ARG 73 1HH2 ARG 73 -0.304 -6.267 11.309 400 2HH2 ARG 73 2HH2 ARG 73 -0.524 -6.544 13.010 401 H LEU 74 H LEU 74 -3.014 -8.159 6.753 402 HA LEU 74 HA LEU 74 -3.970 -10.789 7.214 403 1HB LEU 74 1HB LEU 74 -2.567 -9.309 4.973 404 2HB LEU 74 2HB LEU 74 -2.782 -11.039 4.881 405 HG LEU 74 HG LEU 74 -5.049 -9.035 5.256 406 1HD1 LEU 74 1HD1 LEU 74 -4.142 -10.604 2.808 407 2HD1 LEU 74 2HD1 LEU 74 -5.620 -9.625 2.934 408 3HD1 LEU 74 3HD1 LEU 74 -4.025 -8.851 3.053 409 1HD2 LEU 74 1HD2 LEU 74 -5.130 -12.045 4.762 410 2HD2 LEU 74 2HD2 LEU 74 -5.740 -11.198 6.196 411 3HD2 LEU 74 3HD2 LEU 74 -6.532 -10.974 4.647 412 H GLN 75 H GLN 75 -0.679 -9.445 6.858 413 HA GLN 75 HA GLN 75 0.701 -11.886 7.177 414 1HB GLN 75 1HB GLN 75 1.572 -9.490 6.616 415 2HB GLN 75 2HB GLN 75 1.344 -9.066 8.284 416 1HG GLN 75 1HG GLN 75 3.643 -9.398 8.030 417 2HG GLN 75 2HG GLN 75 3.052 -10.790 8.934 418 1HE2 GLN 75 2HE2 GLN 75 4.925 -9.803 6.240 419 2HE2 GLN 75 1HE2 GLN 75 5.091 -11.379 5.495 420 H GLU 76 H GLU 76 -0.497 -9.658 9.599 421 HA GLU 76 HA GLU 76 0.327 -11.139 11.878 422 1HB GLU 76 1HB GLU 76 -0.371 -8.796 11.914 423 2HB GLU 76 2HB GLU 76 -2.049 -9.262 11.618 424 1HG GLU 76 1HG GLU 76 -2.139 -10.441 13.770 425 2HG GLU 76 2HG GLU 76 -0.409 -10.141 14.023 426 H SER 77 H SER 77 -2.617 -11.547 9.890 427 HA SER 77 HA SER 77 -3.509 -13.744 11.649 428 1HB SER 77 1HB SER 77 -5.382 -13.961 10.039 429 2HB SER 77 2HB SER 77 -5.264 -12.414 10.871 430 HG SER 77 HG SER 77 -5.721 -12.063 8.760 431 H GLY 78 H GLY 78 -0.991 -13.563 9.453 432 1HA GLY 78 1HA GLY 78 0.347 -15.386 8.961 433 2HA GLY 78 2HA GLY 78 -0.918 -16.483 9.516 434 H SER 79 H SER 79 -1.353 -13.861 7.100 435 HA SER 79 HA SER 79 -2.164 -15.939 5.115 436 1HB SER 79 1HB SER 79 -3.317 -13.211 5.812 437 2HB SER 79 2HB SER 79 -3.807 -14.161 4.407 438 HG SER 79 HG SER 79 -4.823 -15.530 5.623 439 HA PRO 80 HA PRO 80 0.636 -13.828 2.365 440 1HB PRO 80 1HB PRO 80 -0.646 -14.019 -0.062 441 2HB PRO 80 2HB PRO 80 0.237 -15.354 0.679 442 1HG PRO 80 1HG PRO 80 -2.735 -14.814 0.688 443 2HG PRO 80 2HG PRO 80 -1.902 -16.385 0.469 444 1HD PRO 80 1HD PRO 80 -3.003 -15.589 2.852 445 2HD PRO 80 2HD PRO 80 -1.535 -16.606 2.769 446 H ILE 81 H ILE 81 0.851 -11.901 1.232 447 HA ILE 81 HA ILE 81 -1.376 -9.947 1.454 448 HB ILE 81 HB ILE 81 0.366 -8.251 1.212 449 1HG1 ILE 81 1HG1 ILE 81 2.350 -10.564 1.223 450 2HG1 ILE 81 2HG1 ILE 81 2.071 -9.413 -0.089 451 1HG2 ILE 81 1HG2 ILE 81 -0.420 -9.201 3.428 452 2HG2 ILE 81 2HG2 ILE 81 1.014 -10.241 3.442 453 3HG2 ILE 81 3HG2 ILE 81 1.191 -8.484 3.496 454 1HD1 ILE 81 1HD1 ILE 81 2.818 -7.591 1.546 455 2HD1 ILE 81 2HD1 ILE 81 3.318 -8.902 2.636 456 3HD1 ILE 81 3HD1 ILE 81 4.072 -8.755 1.044 457 H ASP 82 H ASP 82 -1.334 -12.123 -0.372 458 HA ASP 82 HA ASP 82 -0.905 -11.296 -3.077 459 1HB ASP 82 1HB ASP 82 -1.519 -13.655 -1.949 460 2HB ASP 82 2HB ASP 82 -3.167 -13.162 -2.307 461 H LEU 83 H LEU 83 -2.371 -10.461 -4.602 462 HA LEU 83 HA LEU 83 -3.982 -8.353 -3.833 463 1HB LEU 83 1HB LEU 83 -3.214 -8.508 -6.084 464 2HB LEU 83 2HB LEU 83 -4.173 -9.960 -6.364 465 HG LEU 83 HG LEU 83 -6.257 -8.826 -6.219 466 1HD1 LEU 83 1HD1 LEU 83 -5.657 -7.079 -4.500 467 2HD1 LEU 83 2HD1 LEU 83 -4.715 -6.261 -5.771 468 3HD1 LEU 83 3HD1 LEU 83 -6.495 -6.507 -5.933 469 1HD2 LEU 83 1HD2 LEU 83 -4.274 -7.217 -7.863 470 2HD2 LEU 83 2HD2 LEU 83 -5.153 -8.690 -8.367 471 3HD2 LEU 83 3HD2 LEU 83 -6.036 -7.178 -8.057 472 H ILE 84 H ILE 84 -5.262 -11.734 -4.668 473 HA ILE 84 HA ILE 84 -7.896 -10.925 -4.385 474 HB ILE 84 HB ILE 84 -6.736 -13.674 -3.825 475 1HG1 ILE 84 1HG1 ILE 84 -5.636 -12.886 -5.865 476 2HG1 ILE 84 2HG1 ILE 84 -6.723 -14.169 -6.147 477 1HG2 ILE 84 1HG2 ILE 84 -9.409 -12.736 -4.951 478 2HG2 ILE 84 2HG2 ILE 84 -8.882 -14.429 -4.871 479 3HG2 ILE 84 3HG2 ILE 84 -9.127 -13.507 -3.387 480 1HD1 ILE 84 1HD1 ILE 84 -8.419 -12.547 -7.071 481 2HD1 ILE 84 2HD1 ILE 84 -7.245 -11.237 -6.777 482 3HD1 ILE 84 3HD1 ILE 84 -6.876 -12.519 -7.937 483 H THR 85 H THR 85 -5.731 -12.479 -2.008 484 HA THR 85 HA THR 85 -7.486 -12.702 0.129 485 HB THR 85 HB THR 85 -4.514 -12.073 0.337 486 HG1 THR 85 HG1 THR 85 -4.041 -13.896 -0.525 487 1HG2 THR 85 1HG2 THR 85 -5.731 -12.466 2.473 488 2HG2 THR 85 2HG2 THR 85 -6.267 -14.046 1.872 489 3HG2 THR 85 3HG2 THR 85 -4.537 -13.728 2.146 490 H LEU 86 H LEU 86 -5.420 -10.053 -0.847 491 HA LEU 86 HA LEU 86 -5.882 -8.287 1.341 492 1HB LEU 86 1HB LEU 86 -4.008 -8.332 -0.424 493 2HB LEU 86 2HB LEU 86 -5.140 -7.574 -1.530 494 HG LEU 86 HG LEU 86 -5.319 -5.623 0.070 495 1HD1 LEU 86 1HD1 LEU 86 -3.097 -7.161 1.497 496 2HD1 LEU 86 2HD1 LEU 86 -3.477 -5.444 1.771 497 3HD1 LEU 86 3HD1 LEU 86 -4.666 -6.682 2.176 498 1HD2 LEU 86 1HD2 LEU 86 -2.654 -6.511 -1.106 499 2HD2 LEU 86 2HD2 LEU 86 -3.873 -5.436 -1.822 500 3HD2 LEU 86 3HD2 LEU 86 -2.895 -4.894 -0.437 501 H ALA 87 H ALA 87 -7.305 -8.388 -1.907 502 HA ALA 87 HA ALA 87 -9.071 -6.184 -1.609 503 1HB ALA 87 1HB ALA 87 -8.471 -7.262 -3.789 504 2HB ALA 87 2HB ALA 87 -9.394 -8.697 -3.311 505 3HB ALA 87 3HB ALA 87 -10.229 -7.145 -3.541 506 H GLU 88 H GLU 88 -9.620 -9.712 -1.160 507 HA GLU 88 HA GLU 88 -12.286 -9.577 -0.257 508 1HB GLU 88 1HB GLU 88 -10.018 -11.517 0.303 509 2HB GLU 88 2HB GLU 88 -11.654 -11.767 0.917 510 1HG GLU 88 1HG GLU 88 -12.552 -11.772 -1.387 511 2HG GLU 88 2HG GLU 88 -10.945 -11.520 -2.044 512 H SER 89 H SER 89 -9.227 -9.257 1.568 513 HA SER 89 HA SER 89 -10.533 -9.219 4.105 514 1HB SER 89 1HB SER 89 -8.110 -9.726 3.615 515 2HB SER 89 2HB SER 89 -7.830 -7.983 3.480 516 HG SER 89 HG SER 89 -8.253 -7.758 5.609 517 H LEU 90 H LEU 90 -9.660 -6.607 1.849 518 HA LEU 90 HA LEU 90 -10.552 -4.455 3.576 519 1HB LEU 90 1HB LEU 90 -10.073 -4.768 0.607 520 2HB LEU 90 2HB LEU 90 -10.892 -3.340 1.215 521 HG LEU 90 HG LEU 90 -8.250 -4.194 2.406 522 1HD1 LEU 90 1HD1 LEU 90 -8.704 -2.596 -0.112 523 2HD1 LEU 90 2HD1 LEU 90 -7.162 -2.610 0.795 524 3HD1 LEU 90 3HD1 LEU 90 -7.790 -4.101 0.073 525 1HD2 LEU 90 1HD2 LEU 90 -9.600 -1.469 2.179 526 2HD2 LEU 90 2HD2 LEU 90 -9.477 -2.459 3.650 527 3HD2 LEU 90 3HD2 LEU 90 -8.019 -1.792 2.927 528 H GLU 91 H GLU 91 -12.230 -6.592 1.187 529 HA GLU 91 HA GLU 91 -14.743 -5.245 1.413 530 1HB GLU 91 1HB GLU 91 -14.914 -6.468 -0.453 531 2HB GLU 91 2HB GLU 91 -13.564 -7.505 -0.021 532 1HG GLU 91 1HG GLU 91 -15.000 -8.938 1.306 533 2HG GLU 91 2HG GLU 91 -16.383 -7.872 0.988 534 H ARG 92 H ARG 92 -13.338 -8.008 3.260 535 HA ARG 92 HA ARG 92 -15.552 -8.424 4.963 536 1HB ARG 92 1HB ARG 92 -12.591 -8.401 5.694 537 2HB ARG 92 2HB ARG 92 -13.875 -8.994 6.724 538 1HG ARG 92 1HG ARG 92 -14.381 -10.813 5.238 539 2HG ARG 92 2HG ARG 92 -13.202 -10.253 4.038 540 1HD ARG 92 1HD ARG 92 -11.362 -10.487 5.601 541 2HD ARG 92 2HD ARG 92 -12.474 -10.817 6.941 542 HE ARG 92 HE ARG 92 -12.886 -12.803 4.989 543 1HH1 ARG 92 1HH1 ARG 92 -10.452 -11.750 7.360 544 2HH1 ARG 92 2HH1 ARG 92 -10.135 -13.352 7.938 545 1HH2 ARG 92 1HH2 ARG 92 -11.972 -14.893 5.305 546 2HH2 ARG 92 2HH2 ARG 92 -10.911 -15.174 6.657 547 H GLN 93 H GLN 93 -12.979 -5.960 5.171 548 HA GLN 93 HA GLN 93 -14.190 -4.666 7.491 549 1HB GLN 93 1HB GLN 93 -12.013 -3.742 5.555 550 2HB GLN 93 2HB GLN 93 -12.586 -2.813 6.932 551 1HG GLN 93 1HG GLN 93 -12.020 -5.134 8.223 552 2HG GLN 93 2HG GLN 93 -10.847 -5.241 6.903 553 1HE2 GLN 93 2HE2 GLN 93 -9.053 -3.676 6.896 554 2HE2 GLN 93 1HE2 GLN 93 -8.900 -2.440 8.123 555 H GLY 94 H GLY 94 -15.221 -4.693 4.197 556 1HA GLY 94 1HA GLY 94 -16.832 -3.484 3.160 557 2HA GLY 94 2HA GLY 94 -17.198 -2.669 4.691 558 H GLN 95 H GLN 95 -14.029 -2.774 3.149 559 HA GLN 95 HA GLN 95 -14.102 0.132 2.543 560 1HB GLN 95 1HB GLN 95 -12.032 -1.508 4.073 561 2HB GLN 95 2HB GLN 95 -11.692 0.082 3.405 562 1HG GLN 95 1HG GLN 95 -14.124 0.431 4.818 563 2HG GLN 95 2HG GLN 95 -13.138 -0.603 5.851 564 1HE2 GLN 95 2HE2 GLN 95 -11.447 0.409 7.020 565 2HE2 GLN 95 1HE2 GLN 95 -10.761 1.968 6.525 566 H LEU 96 H LEU 96 -14.107 -2.623 0.947 567 HA LEU 96 HA LEU 96 -11.729 -2.513 -0.694 568 1HB LEU 96 1HB LEU 96 -13.161 -4.488 -0.586 569 2HB LEU 96 2HB LEU 96 -14.493 -3.589 -1.324 570 HG LEU 96 HG LEU 96 -13.227 -3.329 -3.405 571 1HD1 LEU 96 1HD1 LEU 96 -10.975 -4.741 -1.909 572 2HD1 LEU 96 2HD1 LEU 96 -11.041 -4.604 -3.673 573 3HD1 LEU 96 3HD1 LEU 96 -10.914 -3.141 -2.692 574 1HD2 LEU 96 1HD2 LEU 96 -14.539 -5.397 -2.975 575 2HD2 LEU 96 2HD2 LEU 96 -13.167 -5.681 -4.060 576 3HD2 LEU 96 3HD2 LEU 96 -13.071 -6.187 -2.361 577 H ASP 97 H ASP 97 -15.060 -1.222 -1.067 578 HA ASP 97 HA ASP 97 -14.521 0.420 -3.342 579 1HB ASP 97 1HB ASP 97 -16.588 1.423 -3.007 580 2HB ASP 97 2HB ASP 97 -16.819 -0.198 -2.351 581 H SER 98 H SER 98 -14.228 1.070 0.160 582 HA SER 98 HA SER 98 -13.827 3.809 0.124 583 1HB SER 98 1HB SER 98 -14.078 2.474 2.180 584 2HB SER 98 2HB SER 98 -12.484 1.755 1.917 585 HG SER 98 HG SER 98 -12.300 3.325 3.391 586 H VAL 99 H VAL 99 -11.329 1.247 -0.521 587 HA VAL 99 HA VAL 99 -9.296 3.359 -0.629 588 HB VAL 99 HB VAL 99 -7.699 1.621 -0.953 589 1HG1 VAL 99 1HG1 VAL 99 -8.522 2.122 1.355 590 2HG1 VAL 99 2HG1 VAL 99 -9.669 0.795 1.242 591 3HG1 VAL 99 3HG1 VAL 99 -7.942 0.454 1.164 592 1HG2 VAL 99 1HG2 VAL 99 -9.061 0.068 -2.394 593 2HG2 VAL 99 2HG2 VAL 99 -8.197 -0.705 -1.067 594 3HG2 VAL 99 3HG2 VAL 99 -9.945 -0.435 -0.931 595 H GLY 100 H GLY 100 -11.605 2.216 -2.763 596 1HA GLY 100 1HA GLY 100 -11.486 3.751 -4.803 597 2HA GLY 100 2HA GLY 100 -10.058 2.802 -5.224 598 H GLY 101 H GLY 101 -11.433 0.334 -3.890 599 1HA GLY 101 1HA GLY 101 -13.214 -1.143 -4.587 600 2HA GLY 101 2HA GLY 101 -13.170 -0.420 -6.197 601 H PHE 102 H PHE 102 -12.959 -3.038 -6.240 602 HA PHE 102 HA PHE 102 -10.408 -4.235 -5.818 603 1HB PHE 102 1HB PHE 102 -12.742 -5.313 -6.387 604 2HB PHE 102 2HB PHE 102 -12.247 -5.129 -8.060 605 HD1 PHE 102 HD1 PHE 102 -9.575 -5.995 -8.417 606 HD2 PHE 102 HD2 PHE 102 -12.407 -7.444 -5.478 607 HE1 PHE 102 HE1 PHE 102 -8.175 -7.979 -8.031 608 HE2 PHE 102 HE2 PHE 102 -11.029 -9.453 -5.163 609 HZ PHE 102 HZ PHE 102 -8.847 -9.679 -6.359 610 H ALA 103 H ALA 103 -11.827 -2.696 -8.733 611 HA ALA 103 HA ALA 103 -9.686 -3.128 -10.479 612 1HB ALA 103 1HB ALA 103 -11.839 -0.980 -10.382 613 2HB ALA 103 2HB ALA 103 -10.737 -1.214 -11.731 614 3HB ALA 103 3HB ALA 103 -11.848 -2.506 -11.287 615 H TYR 104 H TYR 104 -9.776 -0.875 -7.796 616 HA TYR 104 HA TYR 104 -7.616 0.827 -8.758 617 1HB TYR 104 1HB TYR 104 -9.272 1.429 -6.906 618 2HB TYR 104 2HB TYR 104 -8.449 0.283 -5.873 619 HD1 TYR 104 HD1 TYR 104 -8.120 3.492 -7.693 620 HD2 TYR 104 HD2 TYR 104 -6.251 0.778 -4.915 621 HE1 TYR 104 HE1 TYR 104 -6.496 5.245 -7.092 622 HE2 TYR 104 HE2 TYR 104 -4.617 2.519 -4.301 623 HH TYR 104 HH TYR 104 -3.804 4.706 -4.782 624 H LEU 105 H LEU 105 -7.918 -1.985 -6.557 625 HA LEU 105 HA LEU 105 -5.116 -2.167 -5.904 626 1HB LEU 105 1HB LEU 105 -7.080 -4.477 -5.959 627 2HB LEU 105 2HB LEU 105 -5.620 -4.302 -4.986 628 HG LEU 105 HG LEU 105 -8.126 -2.626 -4.584 629 1HD1 LEU 105 1HD1 LEU 105 -7.035 -5.003 -3.018 630 2HD1 LEU 105 2HD1 LEU 105 -8.401 -3.970 -2.529 631 3HD1 LEU 105 3HD1 LEU 105 -8.519 -4.951 -3.997 632 1HD2 LEU 105 1HD2 LEU 105 -5.548 -2.874 -2.964 633 2HD2 LEU 105 2HD2 LEU 105 -6.083 -1.451 -3.892 634 3HD2 LEU 105 3HD2 LEU 105 -7.002 -1.978 -2.480 635 H ALA 106 H ALA 106 -7.182 -3.711 -8.360 636 HA ALA 106 HA ALA 106 -5.109 -5.316 -9.494 637 1HB ALA 106 1HB ALA 106 -7.515 -5.725 -9.882 638 2HB ALA 106 2HB ALA 106 -7.627 -4.195 -10.791 639 3HB ALA 106 3HB ALA 106 -6.631 -5.533 -11.406 640 H GLU 107 H GLU 107 -6.069 -1.923 -9.969 641 HA GLU 107 HA GLU 107 -4.308 -1.517 -12.187 642 1HB GLU 107 1HB GLU 107 -6.111 0.185 -11.501 643 2HB GLU 107 2HB GLU 107 -4.968 0.745 -10.257 644 1HG GLU 107 1HG GLU 107 -3.235 1.055 -12.018 645 2HG GLU 107 2HG GLU 107 -4.371 0.474 -13.235 646 H LEU 108 H LEU 108 -3.848 -1.151 -8.636 647 HA LEU 108 HA LEU 108 -1.150 -0.331 -8.665 648 1HB LEU 108 1HB LEU 108 -2.269 -2.330 -6.648 649 2HB LEU 108 2HB LEU 108 -0.838 -1.341 -6.485 650 HG LEU 108 HG LEU 108 -3.722 -0.390 -6.442 651 1HD1 LEU 108 1HD1 LEU 108 -1.498 -0.415 -4.359 652 2HD1 LEU 108 2HD1 LEU 108 -3.103 0.306 -4.151 653 3HD1 LEU 108 3HD1 LEU 108 -2.945 -1.449 -4.375 654 1HD2 LEU 108 1HD2 LEU 108 -1.154 1.215 -6.316 655 2HD2 LEU 108 2HD2 LEU 108 -2.403 1.310 -7.587 656 3HD2 LEU 108 3HD2 LEU 108 -2.772 1.856 -5.949 657 H SER 109 H SER 109 -2.437 -3.650 -8.628 658 HA SER 109 HA SER 109 0.059 -4.958 -8.553 659 1HB SER 109 1HB SER 109 -2.380 -5.850 -8.200 660 2HB SER 109 2HB SER 109 -2.352 -6.169 -9.941 661 HG SER 109 HG SER 109 -1.619 -7.958 -8.678 662 H LYS 110 H LYS 110 -2.037 -4.101 -11.372 663 HA LYS 110 HA LYS 110 -0.118 -5.111 -13.262 664 1HB LYS 110 1HB LYS 110 -2.593 -4.866 -13.609 665 2HB LYS 110 2HB LYS 110 -2.370 -3.135 -13.761 666 1HG LYS 110 1HG LYS 110 -0.758 -3.617 -15.703 667 2HG LYS 110 2HG LYS 110 -1.208 -5.315 -15.548 668 1HD LYS 110 1HD LYS 110 -2.923 -2.958 -16.345 669 2HD LYS 110 2HD LYS 110 -2.482 -4.324 -17.351 670 1HE LYS 110 1HE LYS 110 -4.302 -4.423 -14.898 671 2HE LYS 110 2HE LYS 110 -4.855 -4.410 -16.572 672 1HZ LYS 110 1HZ LYS 110 -3.104 -6.537 -15.487 673 2HZ LYS 110 2HZ LYS 110 -4.727 -6.622 -15.484 674 3HZ LYS 110 3HZ LYS 110 -3.924 -6.529 -16.927 675 H ASN 111 H ASN 111 -0.378 -2.071 -11.672 676 HA ASN 111 HA ASN 111 1.302 -0.610 -13.566 677 1HB ASN 111 1HB ASN 111 -0.566 0.518 -12.330 678 2HB ASN 111 2HB ASN 111 0.232 0.146 -10.804 679 1HD2 ASN 111 2HD2 ASN 111 0.865 2.127 -9.994 680 2HD2 ASN 111 1HD2 ASN 111 1.868 3.254 -10.867 681 H THR 112 H THR 112 2.285 -2.931 -12.040 682 HA THR 112 HA THR 112 4.626 -1.741 -10.621 683 HB THR 112 HB THR 112 3.185 -4.353 -10.124 684 HG1 THR 112 HG1 THR 112 2.084 -2.594 -9.246 685 1HG2 THR 112 1HG2 THR 112 5.628 -4.522 -9.710 686 2HG2 THR 112 2HG2 THR 112 5.523 -3.089 -8.648 687 3HG2 THR 112 3HG2 THR 112 4.655 -4.592 -8.253 688 HA PRO 113 HA PRO 113 6.648 -3.947 -14.121 689 1HB PRO 113 1HB PRO 113 8.924 -2.495 -14.244 690 2HB PRO 113 2HB PRO 113 7.362 -1.818 -14.774 691 1HG PRO 113 1HG PRO 113 8.684 -1.423 -12.069 692 2HG PRO 113 2HG PRO 113 8.067 -0.170 -13.193 693 1HD PRO 113 1HD PRO 113 6.604 -1.178 -11.110 694 2HD PRO 113 2HD PRO 113 5.835 -0.672 -12.647 695 H SER 114 H SER 114 6.324 -5.355 -12.005 696 HA SER 114 HA SER 114 6.979 -6.842 -10.500 697 1HB SER 114 1HB SER 114 9.738 -6.613 -11.750 698 2HB SER 114 2HB SER 114 9.288 -7.754 -10.492 699 HG SER 114 HG SER 114 9.066 -8.819 -12.282 700 H ALA 115 H ALA 115 8.732 -7.225 -8.642 701 HA ALA 115 HA ALA 115 9.135 -4.681 -7.162 702 1HB ALA 115 1HB ALA 115 9.349 -7.633 -6.361 703 2HB ALA 115 2HB ALA 115 9.695 -6.258 -5.298 704 3HB ALA 115 3HB ALA 115 8.049 -6.510 -5.912 705 H ALA 116 H ALA 116 10.717 -4.102 -8.902 706 HA ALA 116 HA ALA 116 13.138 -5.810 -9.180 707 1HB ALA 116 1HB ALA 116 12.133 -4.791 -11.204 708 2HB ALA 116 2HB ALA 116 12.328 -3.175 -10.483 709 3HB ALA 116 3HB ALA 116 13.752 -4.127 -10.899 710 H ASN 117 H ASN 117 12.027 -2.781 -7.767 711 HA ASN 117 HA ASN 117 14.606 -2.179 -6.443 712 1HB ASN 117 1HB ASN 117 12.973 -0.321 -8.251 713 2HB ASN 117 2HB ASN 117 14.342 0.181 -7.268 714 1HD2 ASN 117 2HD2 ASN 117 16.322 -1.438 -7.618 715 2HD2 ASN 117 1HD2 ASN 117 16.814 -1.721 -9.258 716 H ILE 118 H ILE 118 12.171 -3.321 -5.395 717 HA ILE 118 HA ILE 118 10.156 -1.475 -4.788 718 HB ILE 118 HB ILE 118 10.232 -4.016 -4.660 719 1HG1 ILE 118 1HG1 ILE 118 8.797 -2.478 -2.459 720 2HG1 ILE 118 2HG1 ILE 118 8.261 -2.665 -4.133 721 1HG2 ILE 118 1HG2 ILE 118 12.116 -4.242 -3.035 722 2HG2 ILE 118 2HG2 ILE 118 10.996 -3.724 -1.753 723 3HG2 ILE 118 3HG2 ILE 118 10.692 -5.205 -2.683 724 1HD1 ILE 118 1HD1 ILE 118 8.081 -5.138 -3.776 725 2HD1 ILE 118 2HD1 ILE 118 8.468 -4.886 -2.057 726 3HD1 ILE 118 3HD1 ILE 118 7.005 -4.179 -2.747 727 H SER 119 H SER 119 12.858 -2.457 -2.814 728 HA SER 119 HA SER 119 12.405 -0.797 -0.627 729 1HB SER 119 1HB SER 119 15.122 -1.661 -1.694 730 2HB SER 119 2HB SER 119 14.720 -1.254 -0.008 731 HG SER 119 HG SER 119 14.684 -3.537 -0.469 732 H ALA 120 H ALA 120 13.908 0.016 -3.678 733 HA ALA 120 HA ALA 120 14.893 2.622 -2.776 734 1HB ALA 120 1HB ALA 120 16.132 1.450 -4.504 735 2HB ALA 120 2HB ALA 120 14.711 1.494 -5.580 736 3HB ALA 120 3HB ALA 120 15.521 2.993 -5.103 737 H TYR 121 H TYR 121 11.907 1.350 -4.263 738 HA TYR 121 HA TYR 121 10.800 4.024 -4.784 739 1HB TYR 121 1HB TYR 121 9.677 1.193 -4.697 740 2HB TYR 121 2HB TYR 121 8.623 2.591 -4.709 741 HD1 TYR 121 HD1 TYR 121 9.835 4.460 -6.611 742 HD2 TYR 121 HD2 TYR 121 9.306 0.180 -6.823 743 HE1 TYR 121 HE1 TYR 121 9.679 4.621 -9.038 744 HE2 TYR 121 HE2 TYR 121 9.033 0.355 -9.277 745 HH TYR 121 HH TYR 121 9.308 3.518 -10.968 746 H ALA 122 H ALA 122 10.510 1.533 -2.206 747 HA ALA 122 HA ALA 122 8.811 3.071 -0.524 748 1HB ALA 122 1HB ALA 122 10.917 0.996 0.196 749 2HB ALA 122 2HB ALA 122 9.632 1.595 1.268 750 3HB ALA 122 3HB ALA 122 9.214 0.666 -0.184 751 H ASP 123 H ASP 123 12.383 3.115 -0.865 752 HA ASP 123 HA ASP 123 12.944 4.997 1.163 753 1HB ASP 123 1HB ASP 123 14.234 4.239 -1.449 754 2HB ASP 123 2HB ASP 123 14.779 5.703 -0.655 755 H ILE 124 H ILE 124 11.310 5.566 -1.969 756 HA ILE 124 HA ILE 124 11.780 8.449 -1.873 757 HB ILE 124 HB ILE 124 9.503 7.091 -3.350 758 1HG1 ILE 124 1HG1 ILE 124 12.332 7.458 -4.377 759 2HG1 ILE 124 2HG1 ILE 124 11.488 5.947 -4.099 760 1HG2 ILE 124 1HG2 ILE 124 9.627 9.650 -3.000 761 2HG2 ILE 124 2HG2 ILE 124 11.117 9.634 -3.948 762 3HG2 ILE 124 3HG2 ILE 124 9.570 9.148 -4.684 763 1HD1 ILE 124 1HD1 ILE 124 9.759 6.660 -5.807 764 2HD1 ILE 124 2HD1 ILE 124 10.841 8.005 -6.231 765 3HD1 ILE 124 3HD1 ILE 124 11.370 6.333 -6.445 766 H VAL 125 H VAL 125 9.070 6.201 -1.112 767 HA VAL 125 HA VAL 125 7.326 8.113 -0.016 768 HB VAL 125 HB VAL 125 7.599 5.195 0.810 769 1HG1 VAL 125 1HG1 VAL 125 5.211 7.099 0.890 770 2HG1 VAL 125 2HG1 VAL 125 5.161 5.372 1.279 771 3HG1 VAL 125 3HG1 VAL 125 6.093 6.464 2.302 772 1HG2 VAL 125 1HG2 VAL 125 6.002 6.419 -1.480 773 2HG2 VAL 125 2HG2 VAL 125 7.374 5.296 -1.636 774 3HG2 VAL 125 3HG2 VAL 125 5.867 4.741 -0.917 775 H ARG 126 H ARG 126 9.876 6.162 1.631 776 HA ARG 126 HA ARG 126 9.469 7.248 4.224 777 1HB ARG 126 1HB ARG 126 10.970 5.244 3.581 778 2HB ARG 126 2HB ARG 126 12.186 6.438 3.131 779 1HG ARG 126 1HG ARG 126 11.667 7.413 5.578 780 2HG ARG 126 2HG ARG 126 11.035 5.783 5.862 781 1HD ARG 126 1HD ARG 126 13.324 5.039 4.814 782 2HD ARG 126 2HD ARG 126 13.836 6.695 5.111 783 HE ARG 126 HE ARG 126 13.964 4.593 6.845 784 1HH1 ARG 126 1HH1 ARG 126 11.914 7.432 7.531 785 2HH1 ARG 126 2HH1 ARG 126 12.795 7.886 8.940 786 1HH2 ARG 126 1HH2 ARG 126 15.039 5.125 8.792 787 2HH2 ARG 126 2HH2 ARG 126 14.408 6.362 9.819 788 H GLU 127 H GLU 127 11.874 8.340 1.669 789 HA GLU 127 HA GLU 127 12.898 10.413 3.269 790 1HB GLU 127 1HB GLU 127 13.661 9.485 0.933 791 2HB GLU 127 2HB GLU 127 12.563 10.663 0.252 792 1HG GLU 127 1HG GLU 127 14.629 11.763 0.250 793 2HG GLU 127 2HG GLU 127 13.848 12.425 1.677 794 H ARG 128 H ARG 128 10.191 10.364 1.054 795 HA ARG 128 HA ARG 128 9.444 13.135 1.371 796 1HB ARG 128 1HB ARG 128 7.791 10.649 0.667 797 2HB ARG 128 2HB ARG 128 7.141 12.277 0.628 798 1HG ARG 128 1HG ARG 128 9.582 11.450 -0.992 799 2HG ARG 128 2HG ARG 128 7.939 11.305 -1.609 800 1HD ARG 128 1HD ARG 128 7.637 13.602 -1.772 801 2HD ARG 128 2HD ARG 128 8.825 13.966 -0.526 802 HE ARG 128 HE ARG 128 10.582 13.689 -1.983 803 1HH1 ARG 128 1HH1 ARG 128 7.464 13.393 -3.729 804 2HH1 ARG 128 2HH1 ARG 128 8.206 13.347 -5.283 805 1HH2 ARG 128 1HH2 ARG 128 11.529 13.597 -4.051 806 2HH2 ARG 128 2HH2 ARG 128 10.528 13.615 -5.487 807 H ALA 129 H ALA 129 8.535 10.241 3.326 808 HA ALA 129 HA ALA 129 6.710 11.683 5.003 809 1HB ALA 129 1HB ALA 129 6.697 9.210 4.783 810 2HB ALA 129 2HB ALA 129 8.279 9.137 5.588 811 3HB ALA 129 3HB ALA 129 6.863 9.742 6.461 812 H VAL 130 H VAL 130 10.216 10.951 5.253 813 HA VAL 130 HA VAL 130 10.698 12.153 7.766 814 HB VAL 130 HB VAL 130 12.466 11.817 5.305 815 1HG1 VAL 130 1HG1 VAL 130 13.184 12.791 8.087 816 2HG1 VAL 130 2HG1 VAL 130 14.377 12.140 6.947 817 3HG1 VAL 130 3HG1 VAL 130 13.473 13.614 6.554 818 1HG2 VAL 130 1HG2 VAL 130 11.722 9.702 6.402 819 2HG2 VAL 130 2HG2 VAL 130 13.459 9.956 6.561 820 3HG2 VAL 130 3HG2 VAL 130 12.372 10.281 7.932 821 H VAL 131 H VAL 131 10.961 13.588 4.485 822 HA VAL 131 HA VAL 131 11.424 16.234 5.464 823 HB VAL 131 HB VAL 131 10.363 15.232 2.792 824 1HG1 VAL 131 1HG1 VAL 131 11.492 17.974 3.506 825 2HG1 VAL 131 2HG1 VAL 131 11.126 17.401 1.863 826 3HG1 VAL 131 3HG1 VAL 131 9.813 17.616 3.035 827 1HG2 VAL 131 1HG2 VAL 131 12.685 14.456 3.399 828 2HG2 VAL 131 2HG2 VAL 131 12.697 15.583 2.045 829 3HG2 VAL 131 3HG2 VAL 131 13.151 16.134 3.669 830 H ARG 132 H ARG 132 8.367 14.468 4.853 831 HA ARG 132 HA ARG 132 6.625 16.661 5.223 832 1HB ARG 132 1HB ARG 132 5.816 14.498 4.366 833 2HB ARG 132 2HB ARG 132 6.244 13.733 5.882 834 1HG ARG 132 1HG ARG 132 4.535 15.422 6.966 835 2HG ARG 132 2HG ARG 132 3.976 15.638 5.323 836 1HD ARG 132 1HD ARG 132 2.620 13.973 6.514 837 2HD ARG 132 2HD ARG 132 3.459 13.248 5.145 838 HE ARG 132 HE ARG 132 4.399 11.781 6.558 839 1HH1 ARG 132 1HH1 ARG 132 3.475 14.555 8.542 840 2HH1 ARG 132 2HH1 ARG 132 4.204 13.968 9.997 841 1HH2 ARG 132 1HH2 ARG 132 5.427 10.960 8.536 842 2HH2 ARG 132 2HH2 ARG 132 5.166 11.816 10.002 843 H GLU 133 H GLU 133 7.862 14.378 7.585 844 HA GLU 133 HA GLU 133 6.497 15.736 9.761 845 1HB GLU 133 1HB GLU 133 7.200 14.061 11.178 846 2HB GLU 133 2HB GLU 133 7.010 13.317 9.613 847 1HG GLU 133 1HG GLU 133 8.864 12.261 10.301 848 2HG GLU 133 2HG GLU 133 9.569 13.543 9.342 849 H MET 134 H MET 134 9.729 15.920 8.469 850 HA MET 134 HA MET 134 10.677 17.847 10.465 851 1HB MET 134 1HB MET 134 11.785 16.974 7.773 852 2HB MET 134 2HB MET 134 12.594 18.082 8.895 853 1HG MET 134 1HG MET 134 12.602 16.351 10.641 854 2HG MET 134 2HG MET 134 11.891 15.197 9.510 855 1HE MET 134 1HE MET 134 14.984 16.803 10.939 856 2HE MET 134 2HE MET 134 14.834 15.056 11.233 857 3HE MET 134 3HE MET 134 16.204 15.689 10.295 858 H ILE 135 H ILE 135 8.258 18.265 8.353 859 HA ILE 135 HA ILE 135 7.237 19.919 7.391 860 HB ILE 135 HB ILE 135 8.651 21.742 9.307 861 1HG1 ILE 135 1HG1 ILE 135 8.134 19.787 10.666 862 2HG1 ILE 135 2HG1 ILE 135 7.154 21.156 11.108 863 1HG2 ILE 135 1HG2 ILE 135 5.779 21.628 8.266 864 2HG2 ILE 135 2HG2 ILE 135 6.341 22.739 9.531 865 3HG2 ILE 135 3HG2 ILE 135 6.987 22.861 7.896 866 1HD1 ILE 135 1HD1 ILE 135 6.116 18.939 9.307 867 2HD1 ILE 135 2HD1 ILE 135 5.936 18.957 11.062 868 3HD1 ILE 135 3HD1 ILE 135 5.181 20.228 10.087 869 H SER 136 H SER 136 9.144 19.229 5.758 870 HA SER 136 HA SER 136 10.093 19.745 3.832 871 1HB SER 136 1HB SER 136 8.257 22.144 4.040 872 2HB SER 136 2HB SER 136 9.054 21.626 2.558 873 HG SER 136 HG SER 136 6.963 20.781 2.687 Start of MODEL 3 1 1H MET 23 1H MET 23 4.615 28.930 1.505 2 2H MET 23 2H MET 23 3.039 28.875 1.921 3 3H MET 23 3H MET 23 4.160 29.273 3.053 4 HA MET 23 HA MET 23 5.129 27.108 2.898 5 1HB MET 23 1HB MET 23 3.142 27.837 4.425 6 2HB MET 23 2HB MET 23 2.182 26.712 3.465 7 1HG MET 23 1HG MET 23 4.850 25.885 4.662 8 2HG MET 23 2HG MET 23 3.428 25.985 5.687 9 1HE MET 23 1HE MET 23 4.204 23.509 6.280 10 2HE MET 23 2HE MET 23 4.135 22.152 5.132 11 3HE MET 23 3HE MET 23 5.385 23.408 4.958 12 H LYS 24 H LYS 24 4.347 24.634 2.132 13 HA LYS 24 HA LYS 24 3.067 24.760 -0.493 14 1HB LYS 24 1HB LYS 24 4.900 23.667 -1.675 15 2HB LYS 24 2HB LYS 24 5.328 25.274 -1.128 16 1HG LYS 24 1HG LYS 24 7.180 24.487 -0.166 17 2HG LYS 24 2HG LYS 24 6.209 23.515 0.929 18 1HD LYS 24 1HD LYS 24 7.745 22.042 -0.162 19 2HD LYS 24 2HD LYS 24 6.142 21.706 -0.804 20 1HE LYS 24 1HE LYS 24 6.684 23.162 -2.802 21 2HE LYS 24 2HE LYS 24 8.325 23.343 -2.158 22 1HZ LYS 24 1HZ LYS 24 8.511 20.905 -2.294 23 2HZ LYS 24 2HZ LYS 24 7.038 20.819 -3.022 24 3HZ LYS 24 3HZ LYS 24 8.283 21.601 -3.758 25 H VAL 25 H VAL 25 2.572 22.678 -1.380 26 HA VAL 25 HA VAL 25 1.398 20.865 0.448 27 HB VAL 25 HB VAL 25 2.272 20.467 -2.451 28 1HG1 VAL 25 1HG1 VAL 25 1.624 18.317 -1.403 29 2HG1 VAL 25 2HG1 VAL 25 0.074 19.031 -0.884 30 3HG1 VAL 25 3HG1 VAL 25 0.436 18.821 -2.603 31 1HG2 VAL 25 1HG2 VAL 25 -0.392 21.483 -1.369 32 2HG2 VAL 25 2HG2 VAL 25 0.797 22.450 -2.273 33 3HG2 VAL 25 3HG2 VAL 25 -0.040 21.119 -3.066 34 HA PRO 26 HA PRO 26 5.182 18.799 1.635 35 1HB PRO 26 1HB PRO 26 4.312 16.359 2.559 36 2HB PRO 26 2HB PRO 26 4.053 17.883 3.463 37 1HG PRO 26 1HG PRO 26 2.108 16.465 1.618 38 2HG PRO 26 2HG PRO 26 1.820 17.095 3.267 39 1HD PRO 26 1HD PRO 26 1.149 18.527 1.050 40 2HD PRO 26 2HD PRO 26 1.790 19.325 2.507 41 HA PRO 27 HA PRO 27 5.662 16.522 -2.264 42 1HB PRO 27 1HB PRO 27 8.252 15.656 -2.062 43 2HB PRO 27 2HB PRO 27 7.807 17.344 -2.449 44 1HG PRO 27 1HG PRO 27 8.555 16.202 0.259 45 2HG PRO 27 2HG PRO 27 9.184 17.676 -0.538 46 1HD PRO 27 1HD PRO 27 7.178 17.778 1.308 47 2HD PRO 27 2HD PRO 27 7.172 18.870 -0.107 48 H HIS 28 H HIS 28 4.893 14.496 -2.574 49 HA HIS 28 HA HIS 28 5.636 12.295 -0.793 50 1HB HIS 28 1HB HIS 28 3.262 11.516 -0.759 51 2HB HIS 28 2HB HIS 28 3.616 12.913 0.228 52 HD1 HIS 28 HD1 HIS 28 2.708 15.348 -0.726 53 HD2 HIS 28 HD2 HIS 28 1.339 11.838 -2.598 54 HE1 HIS 28 HE1 HIS 28 0.616 16.003 -1.990 55 H SER 29 H SER 29 4.868 10.178 -1.984 56 HA SER 29 HA SER 29 5.469 10.548 -4.879 57 1HB SER 29 1HB SER 29 7.095 8.650 -4.569 58 2HB SER 29 2HB SER 29 7.549 10.199 -3.866 59 HG SER 29 HG SER 29 6.256 8.156 -2.353 60 H ILE 30 H ILE 30 2.986 10.247 -4.477 61 HA ILE 30 HA ILE 30 1.469 8.115 -4.084 62 HB ILE 30 HB ILE 30 1.579 9.671 -6.725 63 1HG1 ILE 30 1HG1 ILE 30 1.341 11.166 -4.770 64 2HG1 ILE 30 2HG1 ILE 30 0.034 11.233 -5.932 65 1HG2 ILE 30 1HG2 ILE 30 -0.790 8.100 -5.647 66 2HG2 ILE 30 2HG2 ILE 30 -0.803 9.188 -7.048 67 3HG2 ILE 30 3HG2 ILE 30 0.171 7.725 -7.086 68 1HD1 ILE 30 1HD1 ILE 30 -0.134 9.617 -3.365 69 2HD1 ILE 30 2HD1 ILE 30 -0.737 11.279 -3.542 70 3HD1 ILE 30 3HD1 ILE 30 -1.450 9.974 -4.496 71 H GLU 31 H GLU 31 3.234 8.422 -7.182 72 HA GLU 31 HA GLU 31 2.418 5.790 -7.953 73 1HB GLU 31 1HB GLU 31 4.339 7.815 -9.107 74 2HB GLU 31 2HB GLU 31 4.093 6.207 -9.825 75 1HG GLU 31 1HG GLU 31 1.634 6.595 -9.911 76 2HG GLU 31 2HG GLU 31 1.817 8.121 -9.084 77 H ALA 32 H ALA 32 5.384 6.906 -6.414 78 HA ALA 32 HA ALA 32 6.836 4.416 -6.748 79 1HB ALA 32 1HB ALA 32 7.973 6.524 -6.043 80 2HB ALA 32 2HB ALA 32 7.112 6.431 -4.481 81 3HB ALA 32 3HB ALA 32 8.258 5.167 -4.935 82 H GLU 33 H GLU 33 4.732 5.775 -4.185 83 HA GLU 33 HA GLU 33 4.567 3.525 -2.487 84 1HB GLU 33 1HB GLU 33 2.896 5.966 -3.057 85 2HB GLU 33 2HB GLU 33 2.080 4.645 -2.270 86 1HG GLU 33 1HG GLU 33 2.943 5.238 -0.328 87 2HG GLU 33 2HG GLU 33 4.563 4.985 -0.900 88 H GLN 34 H GLN 34 2.621 4.290 -5.408 89 HA GLN 34 HA GLN 34 0.916 2.046 -5.193 90 1HB GLN 34 1HB GLN 34 1.775 3.625 -7.654 91 2HB GLN 34 2HB GLN 34 0.593 2.314 -7.702 92 1HG GLN 34 1HG GLN 34 -0.686 3.468 -5.869 93 2HG GLN 34 2HG GLN 34 0.402 4.827 -6.020 94 1HE2 GLN 34 2HE2 GLN 34 -2.456 4.760 -6.324 95 2HE2 GLN 34 1HE2 GLN 34 -2.869 5.194 -7.975 96 H SER 35 H SER 35 4.057 2.359 -6.962 97 HA SER 35 HA SER 35 4.025 -0.378 -7.862 98 1HB SER 35 1HB SER 35 6.269 1.629 -7.488 99 2HB SER 35 2HB SER 35 6.439 0.079 -8.339 100 HG SER 35 HG SER 35 4.693 0.848 -9.726 101 H VAL 36 H VAL 36 5.143 1.119 -4.806 102 HA VAL 36 HA VAL 36 6.547 -1.248 -3.911 103 HB VAL 36 HB VAL 36 5.317 1.125 -2.442 104 1HG1 VAL 36 1HG1 VAL 36 6.944 -1.156 -1.241 105 2HG1 VAL 36 2HG1 VAL 36 6.567 0.378 -0.423 106 3HG1 VAL 36 3HG1 VAL 36 5.266 -0.739 -0.845 107 1HG2 VAL 36 1HG2 VAL 36 7.391 1.468 -3.837 108 2HG2 VAL 36 2HG2 VAL 36 7.601 1.826 -2.122 109 3HG2 VAL 36 3HG2 VAL 36 8.227 0.303 -2.806 110 H LEU 37 H LEU 37 3.236 0.020 -3.315 111 HA LEU 37 HA LEU 37 2.345 -2.252 -1.859 112 1HB LEU 37 1HB LEU 37 0.809 -0.285 -3.590 113 2HB LEU 37 2HB LEU 37 0.037 -1.509 -2.578 114 HG LEU 37 HG LEU 37 1.858 0.708 -1.530 115 1HD1 LEU 37 1HD1 LEU 37 -1.169 0.417 -1.529 116 2HD1 LEU 37 2HD1 LEU 37 -0.250 1.610 -0.594 117 3HD1 LEU 37 3HD1 LEU 37 -0.200 1.653 -2.368 118 1HD2 LEU 37 1HD2 LEU 37 0.234 -1.396 -0.058 119 2HD2 LEU 37 2HD2 LEU 37 1.986 -1.135 0.002 120 3HD2 LEU 37 3HD2 LEU 37 0.905 0.067 0.690 121 H GLY 38 H GLY 38 2.121 -1.603 -5.403 122 1HA GLY 38 1HA GLY 38 0.933 -4.038 -6.167 123 2HA GLY 38 2HA GLY 38 2.062 -3.072 -7.137 124 H GLY 39 H GLY 39 4.446 -3.214 -5.769 125 1HA GLY 39 1HA GLY 39 5.467 -5.714 -6.506 126 2HA GLY 39 2HA GLY 39 6.277 -4.503 -5.498 127 H LEU 40 H LEU 40 4.192 -4.643 -3.367 128 HA LEU 40 HA LEU 40 5.200 -6.887 -1.860 129 1HB LEU 40 1HB LEU 40 2.840 -4.998 -1.454 130 2HB LEU 40 2HB LEU 40 3.269 -6.236 -0.305 131 HG LEU 40 HG LEU 40 5.165 -3.997 -1.137 132 1HD1 LEU 40 1HD1 LEU 40 3.272 -4.314 1.206 133 2HD1 LEU 40 2HD1 LEU 40 4.605 -3.148 1.195 134 3HD1 LEU 40 3HD1 LEU 40 3.303 -3.027 0.004 135 1HD2 LEU 40 1HD2 LEU 40 5.328 -6.179 0.958 136 2HD2 LEU 40 2HD2 LEU 40 6.448 -5.874 -0.385 137 3HD2 LEU 40 3HD2 LEU 40 6.359 -4.725 0.947 138 H MET 41 H MET 41 2.243 -6.380 -3.765 139 HA MET 41 HA MET 41 0.986 -8.917 -3.084 140 1HB MET 41 1HB MET 41 0.693 -7.412 -5.712 141 2HB MET 41 2HB MET 41 -0.461 -8.511 -4.959 142 1HG MET 41 1HG MET 41 -0.944 -6.873 -3.222 143 2HG MET 41 2HG MET 41 0.347 -5.838 -3.779 144 1HE MET 41 1HE MET 41 -2.030 -4.324 -3.222 145 2HE MET 41 2HE MET 41 -0.816 -3.526 -4.249 146 3HE MET 41 3HE MET 41 -2.539 -3.498 -4.701 147 H LEU 42 H LEU 42 3.278 -7.743 -5.508 148 HA LEU 42 HA LEU 42 3.288 -10.133 -7.060 149 1HB LEU 42 1HB LEU 42 3.905 -7.605 -7.610 150 2HB LEU 42 2HB LEU 42 5.531 -8.117 -7.198 151 HG LEU 42 HG LEU 42 4.180 -10.046 -9.005 152 1HD1 LEU 42 1HD1 LEU 42 3.026 -7.900 -9.745 153 2HD1 LEU 42 2HD1 LEU 42 4.623 -7.278 -10.179 154 3HD1 LEU 42 3HD1 LEU 42 3.998 -8.708 -10.987 155 1HD2 LEU 42 1HD2 LEU 42 6.643 -9.902 -8.585 156 2HD2 LEU 42 2HD2 LEU 42 6.209 -9.817 -10.299 157 3HD2 LEU 42 3HD2 LEU 42 6.662 -8.337 -9.417 158 H ASP 43 H ASP 43 5.400 -8.982 -4.488 159 HA ASP 43 HA ASP 43 6.821 -11.585 -4.333 160 1HB ASP 43 1HB ASP 43 7.938 -10.235 -5.969 161 2HB ASP 43 2HB ASP 43 8.206 -8.925 -4.807 162 H ASN 44 H ASN 44 5.472 -11.644 -2.597 163 HA ASN 44 HA ASN 44 4.969 -10.093 -0.534 164 1HB ASN 44 1HB ASN 44 3.963 -12.298 -1.071 165 2HB ASN 44 2HB ASN 44 5.481 -13.117 -0.662 166 1HD2 ASN 44 2HD2 ASN 44 3.359 -10.712 0.784 167 2HD2 ASN 44 1HD2 ASN 44 3.318 -11.443 2.404 168 H GLU 45 H GLU 45 7.978 -11.885 -0.912 169 HA GLU 45 HA GLU 45 8.647 -11.791 1.942 170 1HB GLU 45 1HB GLU 45 10.367 -12.491 -0.444 171 2HB GLU 45 2HB GLU 45 10.750 -12.812 1.259 172 1HG GLU 45 1HG GLU 45 8.654 -14.180 1.445 173 2HG GLU 45 2HG GLU 45 8.379 -13.975 -0.291 174 H ARG 46 H ARG 46 8.891 -9.514 -0.595 175 HA ARG 46 HA ARG 46 11.021 -7.971 0.713 176 1HB ARG 46 1HB ARG 46 9.057 -7.243 -1.487 177 2HB ARG 46 2HB ARG 46 10.415 -6.249 -0.978 178 1HG ARG 46 1HG ARG 46 10.847 -9.077 -2.049 179 2HG ARG 46 2HG ARG 46 10.605 -7.727 -3.110 180 1HD ARG 46 1HD ARG 46 12.996 -8.168 -2.850 181 2HD ARG 46 2HD ARG 46 12.591 -6.569 -2.243 182 HE ARG 46 HE ARG 46 13.453 -7.182 -0.218 183 1HH1 ARG 46 1HH1 ARG 46 13.003 -10.206 -1.952 184 2HH1 ARG 46 2HH1 ARG 46 13.248 -11.196 -0.542 185 1HH2 ARG 46 1HH2 ARG 46 13.975 -8.400 1.470 186 2HH2 ARG 46 2HH2 ARG 46 13.725 -10.129 1.532 187 H TRP 47 H TRP 47 7.793 -8.643 1.587 188 HA TRP 47 HA TRP 47 6.902 -6.143 2.554 189 1HB TRP 47 1HB TRP 47 5.475 -8.113 2.702 190 2HB TRP 47 2HB TRP 47 6.618 -8.903 3.791 191 HD1 TRP 47 HD1 TRP 47 6.683 -8.105 6.314 192 HE1 TRP 47 HE1 TRP 47 5.306 -6.465 7.747 193 HE3 TRP 47 HE3 TRP 47 3.804 -6.005 2.649 194 HZ2 TRP 47 HZ2 TRP 47 3.424 -4.366 7.325 195 HZ3 TRP 47 HZ3 TRP 47 2.264 -4.116 3.194 196 HH2 TRP 47 HH2 TRP 47 2.082 -3.290 5.497 197 H ASP 48 H ASP 48 9.156 -8.475 4.099 198 HA ASP 48 HA ASP 48 9.576 -6.838 6.427 199 1HB ASP 48 1HB ASP 48 10.788 -9.237 5.125 200 2HB ASP 48 2HB ASP 48 11.940 -8.304 6.049 201 H ASP 49 H ASP 49 10.834 -6.464 3.248 202 HA ASP 49 HA ASP 49 13.166 -4.874 4.218 203 1HB ASP 49 1HB ASP 49 12.259 -5.905 1.556 204 2HB ASP 49 2HB ASP 49 12.952 -4.292 1.518 205 H VAL 50 H VAL 50 10.049 -4.469 2.652 206 HA VAL 50 HA VAL 50 10.105 -1.600 2.472 207 HB VAL 50 HB VAL 50 7.994 -3.769 2.298 208 1HG1 VAL 50 1HG1 VAL 50 7.694 -0.773 1.736 209 2HG1 VAL 50 2HG1 VAL 50 6.518 -2.009 1.256 210 3HG1 VAL 50 3HG1 VAL 50 6.828 -1.713 2.972 211 1HG2 VAL 50 1HG2 VAL 50 9.669 -3.702 0.449 212 2HG2 VAL 50 2HG2 VAL 50 8.065 -3.249 -0.126 213 3HG2 VAL 50 3HG2 VAL 50 9.294 -1.997 0.165 214 H ALA 51 H ALA 51 8.749 -3.893 4.978 215 HA ALA 51 HA ALA 51 7.660 -1.882 6.646 216 1HB ALA 51 1HB ALA 51 7.201 -4.289 6.913 217 2HB ALA 51 2HB ALA 51 8.892 -4.566 7.401 218 3HB ALA 51 3HB ALA 51 7.822 -3.583 8.420 219 H GLU 52 H GLU 52 10.940 -2.984 6.175 220 HA GLU 52 HA GLU 52 11.986 -1.449 8.355 221 1HB GLU 52 1HB GLU 52 13.282 -3.359 6.409 222 2HB GLU 52 2HB GLU 52 14.209 -2.423 7.577 223 1HG GLU 52 1HG GLU 52 11.978 -4.381 8.300 224 2HG GLU 52 2HG GLU 52 13.709 -4.678 8.439 225 H ARG 53 H ARG 53 10.871 -0.529 5.526 226 HA ARG 53 HA ARG 53 12.745 1.783 5.351 227 1HB ARG 53 1HB ARG 53 11.018 0.519 3.183 228 2HB ARG 53 2HB ARG 53 11.696 2.133 3.044 229 1HG ARG 53 1HG ARG 53 13.362 -0.410 3.331 230 2HG ARG 53 2HG ARG 53 12.978 0.416 1.826 231 1HD ARG 53 1HD ARG 53 15.067 1.254 2.259 232 2HD ARG 53 2HD ARG 53 14.041 2.525 2.927 233 HE ARG 53 HE ARG 53 14.585 0.702 5.023 234 1HH1 ARG 53 1HH1 ARG 53 16.258 3.143 3.050 235 2HH1 ARG 53 2HH1 ARG 53 17.697 3.170 3.992 236 1HH2 ARG 53 1HH2 ARG 53 16.404 0.952 6.499 237 2HH2 ARG 53 2HH2 ARG 53 17.674 2.050 6.090 238 H VAL 54 H VAL 54 9.332 0.668 5.520 239 HA VAL 54 HA VAL 54 8.584 3.378 6.374 240 HB VAL 54 HB VAL 54 6.665 3.087 4.785 241 1HG1 VAL 54 1HG1 VAL 54 8.547 4.676 4.399 242 2HG1 VAL 54 2HG1 VAL 54 9.341 3.439 3.393 243 3HG1 VAL 54 3HG1 VAL 54 7.767 4.097 2.918 244 1HG2 VAL 54 1HG2 VAL 54 6.942 0.714 4.143 245 2HG2 VAL 54 2HG2 VAL 54 6.837 1.813 2.756 246 3HG2 VAL 54 3HG2 VAL 54 8.408 1.162 3.242 247 H VAL 55 H VAL 55 6.476 3.456 7.306 248 HA VAL 55 HA VAL 55 5.250 0.843 8.057 249 HB VAL 55 HB VAL 55 4.696 1.884 10.274 250 1HG1 VAL 55 1HG1 VAL 55 6.575 0.249 9.955 251 2HG1 VAL 55 2HG1 VAL 55 7.686 1.603 9.720 252 3HG1 VAL 55 3HG1 VAL 55 6.872 1.393 11.276 253 1HG2 VAL 55 1HG2 VAL 55 5.074 4.273 9.745 254 2HG2 VAL 55 2HG2 VAL 55 6.058 3.737 11.122 255 3HG2 VAL 55 3HG2 VAL 55 6.810 3.963 9.543 256 H ALA 56 H ALA 56 2.845 1.305 8.804 257 HA ALA 56 HA ALA 56 1.599 2.244 6.485 258 1HB ALA 56 1HB ALA 56 0.540 0.722 8.233 259 2HB ALA 56 2HB ALA 56 0.240 2.173 9.209 260 3HB ALA 56 3HB ALA 56 -0.512 2.011 7.612 261 H ASP 57 H ASP 57 2.339 4.030 9.436 262 HA ASP 57 HA ASP 57 0.732 6.318 8.953 263 1HB ASP 57 1HB ASP 57 2.844 5.510 10.823 264 2HB ASP 57 2HB ASP 57 3.040 7.185 10.353 265 H ASP 58 H ASP 58 3.664 5.333 7.311 266 HA ASP 58 HA ASP 58 4.475 8.001 6.506 267 1HB ASP 58 1HB ASP 58 5.271 5.197 5.600 268 2HB ASP 58 2HB ASP 58 6.010 6.663 5.041 269 H PHE 59 H PHE 59 2.024 5.770 5.495 270 HA PHE 59 HA PHE 59 2.099 6.647 2.690 271 1HB PHE 59 1HB PHE 59 0.454 4.569 4.185 272 2HB PHE 59 2HB PHE 59 0.132 5.034 2.536 273 HD1 PHE 59 HD1 PHE 59 2.845 3.705 4.737 274 HD2 PHE 59 HD2 PHE 59 1.325 3.945 0.721 275 HE1 PHE 59 HE1 PHE 59 4.566 2.103 3.990 276 HE2 PHE 59 HE2 PHE 59 3.033 2.337 -0.032 277 HZ PHE 59 HZ PHE 59 4.679 1.417 1.593 278 H TYR 60 H TYR 60 1.607 8.867 3.002 279 HA TYR 60 HA TYR 60 -0.567 9.882 4.503 280 1HB TYR 60 1HB TYR 60 1.272 11.264 3.574 281 2HB TYR 60 2HB TYR 60 0.665 10.986 1.936 282 HD1 TYR 60 HD1 TYR 60 -0.254 12.296 5.274 283 HD2 TYR 60 HD2 TYR 60 -1.201 12.354 1.065 284 HE1 TYR 60 HE1 TYR 60 -1.823 14.159 5.672 285 HE2 TYR 60 HE2 TYR 60 -2.787 14.220 1.455 286 HH TYR 60 HH TYR 60 -3.315 15.642 4.730 287 H THR 61 H THR 61 -0.441 8.414 1.278 288 HA THR 61 HA THR 61 -2.918 9.529 0.407 289 HB THR 61 HB THR 61 -2.205 7.146 -0.950 290 HG1 THR 61 HG1 THR 61 -0.073 7.665 -0.403 291 1HG2 THR 61 1HG2 THR 61 -3.657 9.024 -1.716 292 2HG2 THR 61 2HG2 THR 61 -2.192 10.034 -1.803 293 3HG2 THR 61 3HG2 THR 61 -2.353 8.593 -2.845 294 H ARG 62 H ARG 62 -4.841 9.050 1.172 295 HA ARG 62 HA ARG 62 -5.446 7.281 3.099 296 1HB ARG 62 1HB ARG 62 -6.782 9.180 1.698 297 2HB ARG 62 2HB ARG 62 -7.674 7.770 1.150 298 1HG ARG 62 1HG ARG 62 -8.401 7.218 3.329 299 2HG ARG 62 2HG ARG 62 -7.184 8.230 4.112 300 1HD ARG 62 1HD ARG 62 -9.427 9.337 2.366 301 2HD ARG 62 2HD ARG 62 -9.499 9.237 4.122 302 HE ARG 62 HE ARG 62 -7.982 11.098 2.464 303 1HH1 ARG 62 1HH1 ARG 62 -8.477 9.932 5.800 304 2HH1 ARG 62 2HH1 ARG 62 -7.223 10.880 6.500 305 1HH2 ARG 62 1HH2 ARG 62 -6.464 12.592 3.447 306 2HH2 ARG 62 2HH2 ARG 62 -6.235 12.535 5.166 307 HA PRO 63 HA PRO 63 -6.993 3.686 0.400 308 1HB PRO 63 1HB PRO 63 -6.277 3.440 -2.234 309 2HB PRO 63 2HB PRO 63 -7.725 4.345 -1.700 310 1HG PRO 63 1HG PRO 63 -5.000 5.493 -2.343 311 2HG PRO 63 2HG PRO 63 -6.604 6.015 -2.954 312 1HD PRO 63 1HD PRO 63 -5.465 7.259 -0.862 313 2HD PRO 63 2HD PRO 63 -7.217 6.902 -0.849 314 H HIS 64 H HIS 64 -3.769 5.056 -0.369 315 HA HIS 64 HA HIS 64 -2.466 2.508 -0.639 316 1HB HIS 64 1HB HIS 64 -1.306 5.207 0.149 317 2HB HIS 64 2HB HIS 64 -0.417 3.790 -0.359 318 HD1 HIS 64 HD1 HIS 64 0.340 6.090 -1.969 319 HD2 HIS 64 HD2 HIS 64 -3.049 3.759 -2.872 320 HE1 HIS 64 HE1 HIS 64 -0.091 6.333 -4.534 321 H ARG 65 H ARG 65 -3.070 4.726 2.117 322 HA ARG 65 HA ARG 65 -1.711 3.217 4.120 323 1HB ARG 65 1HB ARG 65 -2.874 5.627 4.112 324 2HB ARG 65 2HB ARG 65 -4.243 4.753 4.786 325 1HG ARG 65 1HG ARG 65 -2.930 3.941 6.631 326 2HG ARG 65 2HG ARG 65 -1.419 4.430 5.881 327 1HD ARG 65 1HD ARG 65 -2.299 5.809 7.838 328 2HD ARG 65 2HD ARG 65 -1.648 6.646 6.464 329 HE ARG 65 HE ARG 65 -4.538 6.385 7.207 330 1HH1 ARG 65 1HH1 ARG 65 -2.072 7.869 5.116 331 2HH1 ARG 65 2HH1 ARG 65 -3.055 9.253 4.713 332 1HH2 ARG 65 1HH2 ARG 65 -5.897 8.193 6.456 333 2HH2 ARG 65 2HH2 ARG 65 -5.094 9.520 5.630 334 H HIS 66 H HIS 66 -5.177 3.209 3.189 335 HA HIS 66 HA HIS 66 -6.044 1.120 4.818 336 1HB HIS 66 1HB HIS 66 -6.726 1.892 1.948 337 2HB HIS 66 2HB HIS 66 -7.543 0.567 2.765 338 HD1 HIS 66 HD1 HIS 66 -8.425 3.995 2.058 339 HD2 HIS 66 HD2 HIS 66 -8.481 1.300 5.253 340 HE1 HIS 66 HE1 HIS 66 -10.241 4.795 3.580 341 H ILE 67 H ILE 67 -4.685 0.759 1.520 342 HA ILE 67 HA ILE 67 -4.712 -2.051 1.488 343 HB ILE 67 HB ILE 67 -3.078 0.041 0.018 344 1HG1 ILE 67 1HG1 ILE 67 -5.392 -1.728 -0.914 345 2HG1 ILE 67 2HG1 ILE 67 -5.657 -0.154 -0.210 346 1HG2 ILE 67 1HG2 ILE 67 -1.849 -2.163 -0.052 347 2HG2 ILE 67 2HG2 ILE 67 -3.277 -2.895 -0.780 348 3HG2 ILE 67 3HG2 ILE 67 -2.412 -1.616 -1.634 349 1HD1 ILE 67 1HD1 ILE 67 -4.173 0.844 -2.015 350 2HD1 ILE 67 2HD1 ILE 67 -4.282 -0.746 -2.821 351 3HD1 ILE 67 3HD1 ILE 67 -5.746 0.202 -2.521 352 H PHE 68 H PHE 68 -1.930 0.143 2.386 353 HA PHE 68 HA PHE 68 -0.193 -1.947 3.099 354 1HB PHE 68 1HB PHE 68 0.318 0.543 2.843 355 2HB PHE 68 2HB PHE 68 -0.306 0.764 4.464 356 HD1 PHE 68 HD1 PHE 68 0.884 -0.406 6.409 357 HD2 PHE 68 HD2 PHE 68 2.509 -0.395 2.426 358 HE1 PHE 68 HE1 PHE 68 3.137 -0.925 7.326 359 HE2 PHE 68 HE2 PHE 68 4.738 -0.935 3.338 360 HZ PHE 68 HZ PHE 68 5.075 -1.169 5.790 361 H THR 69 H THR 69 -2.814 -0.436 5.055 362 HA THR 69 HA THR 69 -1.993 -1.652 7.550 363 HB THR 69 HB THR 69 -4.732 -0.645 6.622 364 HG1 THR 69 HG1 THR 69 -3.220 0.948 6.459 365 1HG2 THR 69 1HG2 THR 69 -3.616 -1.098 9.421 366 2HG2 THR 69 2HG2 THR 69 -5.135 -0.246 9.045 367 3HG2 THR 69 3HG2 THR 69 -4.963 -1.963 8.661 368 H GLU 70 H GLU 70 -4.384 -2.565 4.996 369 HA GLU 70 HA GLU 70 -5.194 -4.913 6.406 370 1HB GLU 70 1HB GLU 70 -6.387 -3.545 4.529 371 2HB GLU 70 2HB GLU 70 -5.413 -4.460 3.411 372 1HG GLU 70 1HG GLU 70 -7.430 -5.713 3.593 373 2HG GLU 70 2HG GLU 70 -6.303 -6.588 4.598 374 H MET 71 H MET 71 -2.640 -4.261 4.002 375 HA MET 71 HA MET 71 -1.781 -6.949 3.570 376 1HB MET 71 1HB MET 71 -0.268 -4.299 3.512 377 2HB MET 71 2HB MET 71 0.473 -5.855 3.131 378 1HG MET 71 1HG MET 71 -1.155 -6.207 1.330 379 2HG MET 71 2HG MET 71 -1.868 -4.644 1.632 380 1HE MET 71 1HE MET 71 -1.532 -4.760 -1.007 381 2HE MET 71 2HE MET 71 0.031 -4.527 -1.814 382 3HE MET 71 3HE MET 71 -0.353 -6.092 -1.065 383 H ALA 72 H ALA 72 -0.552 -4.454 5.874 384 HA ALA 72 HA ALA 72 1.277 -6.068 7.218 385 1HB ALA 72 1HB ALA 72 1.016 -3.560 7.479 386 2HB ALA 72 2HB ALA 72 -0.438 -3.848 8.449 387 3HB ALA 72 3HB ALA 72 1.144 -4.420 9.015 388 H ARG 73 H ARG 73 -2.186 -5.563 7.891 389 HA ARG 73 HA ARG 73 -2.314 -7.224 10.200 390 1HB ARG 73 1HB ARG 73 -4.355 -6.209 8.173 391 2HB ARG 73 2HB ARG 73 -4.865 -7.281 9.470 392 1HG ARG 73 1HG ARG 73 -3.230 -4.803 10.119 393 2HG ARG 73 2HG ARG 73 -4.965 -4.672 9.838 394 1HD ARG 73 1HD ARG 73 -4.007 -6.840 11.700 395 2HD ARG 73 2HD ARG 73 -3.936 -5.200 12.294 396 HE ARG 73 HE ARG 73 -6.335 -6.776 11.714 397 1HH1 ARG 73 1HH1 ARG 73 -5.040 -3.534 12.393 398 2HH1 ARG 73 2HH1 ARG 73 -6.561 -2.852 12.826 399 1HH2 ARG 73 1HH2 ARG 73 -8.309 -5.938 12.222 400 2HH2 ARG 73 2HH2 ARG 73 -8.547 -4.312 12.799 401 H LEU 74 H LEU 74 -2.995 -8.094 6.715 402 HA LEU 74 HA LEU 74 -3.712 -10.773 7.358 403 1HB LEU 74 1HB LEU 74 -2.730 -9.243 4.914 404 2HB LEU 74 2HB LEU 74 -2.861 -10.970 4.833 405 HG LEU 74 HG LEU 74 -5.167 -9.107 5.531 406 1HD1 LEU 74 1HD1 LEU 74 -4.360 -8.873 3.204 407 2HD1 LEU 74 2HD1 LEU 74 -4.536 -10.614 2.951 408 3HD1 LEU 74 3HD1 LEU 74 -5.971 -9.617 3.274 409 1HD2 LEU 74 1HD2 LEU 74 -5.527 -11.404 6.450 410 2HD2 LEU 74 2HD2 LEU 74 -6.637 -11.037 5.138 411 3HD2 LEU 74 3HD2 LEU 74 -5.237 -12.080 4.832 412 H GLN 75 H GLN 75 -0.587 -9.287 6.388 413 HA GLN 75 HA GLN 75 0.810 -11.728 6.407 414 1HB GLN 75 1HB GLN 75 1.455 -9.362 5.498 415 2HB GLN 75 2HB GLN 75 1.834 -8.912 7.127 416 1HG GLN 75 1HG GLN 75 3.869 -9.392 5.969 417 2HG GLN 75 2HG GLN 75 3.615 -10.572 7.248 418 1HE2 GLN 75 2HE2 GLN 75 5.117 -11.959 6.254 419 2HE2 GLN 75 1HE2 GLN 75 4.779 -12.844 4.764 420 H GLU 76 H GLU 76 0.314 -9.375 8.951 421 HA GLU 76 HA GLU 76 1.699 -10.639 11.076 422 1HB GLU 76 1HB GLU 76 0.831 -8.402 11.344 423 2HB GLU 76 2HB GLU 76 -0.782 -8.910 10.896 424 1HG GLU 76 1HG GLU 76 -1.029 -8.492 13.075 425 2HG GLU 76 2HG GLU 76 -0.861 -10.231 13.113 426 H SER 77 H SER 77 -1.504 -11.404 9.704 427 HA SER 77 HA SER 77 -1.961 -13.459 11.739 428 1HB SER 77 1HB SER 77 -3.528 -12.363 9.527 429 2HB SER 77 2HB SER 77 -3.996 -13.907 10.264 430 HG SER 77 HG SER 77 -4.009 -11.328 11.366 431 H GLY 78 H GLY 78 0.170 -13.424 9.156 432 1HA GLY 78 1HA GLY 78 1.247 -15.286 8.253 433 2HA GLY 78 2HA GLY 78 0.202 -16.341 9.192 434 H SER 79 H SER 79 -1.074 -13.759 7.095 435 HA SER 79 HA SER 79 -2.250 -15.783 5.264 436 1HB SER 79 1HB SER 79 -3.098 -12.905 5.643 437 2HB SER 79 2HB SER 79 -4.011 -14.203 4.881 438 HG SER 79 HG SER 79 -4.340 -15.109 6.943 439 HA PRO 80 HA PRO 80 0.382 -13.642 2.277 440 1HB PRO 80 1HB PRO 80 -0.939 -13.913 -0.080 441 2HB PRO 80 2HB PRO 80 -0.194 -15.299 0.735 442 1HG PRO 80 1HG PRO 80 -3.082 -14.398 0.844 443 2HG PRO 80 2HG PRO 80 -2.474 -16.044 0.537 444 1HD PRO 80 1HD PRO 80 -3.304 -15.256 3.019 445 2HD PRO 80 2HD PRO 80 -1.937 -16.391 2.811 446 H ILE 81 H ILE 81 0.431 -11.738 1.026 447 HA ILE 81 HA ILE 81 -1.907 -9.918 1.285 448 HB ILE 81 HB ILE 81 -0.416 -8.096 1.042 449 1HG1 ILE 81 1HG1 ILE 81 1.681 -10.134 0.377 450 2HG1 ILE 81 2HG1 ILE 81 1.267 -8.641 -0.438 451 1HG2 ILE 81 1HG2 ILE 81 -0.826 -9.190 3.274 452 2HG2 ILE 81 2HG2 ILE 81 0.738 -10.011 3.116 453 3HG2 ILE 81 3HG2 ILE 81 0.663 -8.247 3.205 454 1HD1 ILE 81 1HD1 ILE 81 2.239 -7.334 1.451 455 2HD1 ILE 81 2HD1 ILE 81 2.776 -8.851 2.205 456 3HD1 ILE 81 3HD1 ILE 81 3.427 -8.378 0.635 457 H ASP 82 H ASP 82 -1.802 -12.156 -0.516 458 HA ASP 82 HA ASP 82 -1.374 -11.269 -3.210 459 1HB ASP 82 1HB ASP 82 -1.876 -13.691 -2.143 460 2HB ASP 82 2HB ASP 82 -3.538 -13.271 -2.561 461 H LEU 83 H LEU 83 -3.262 -11.076 -4.773 462 HA LEU 83 HA LEU 83 -4.479 -8.561 -4.199 463 1HB LEU 83 1HB LEU 83 -3.804 -9.845 -6.469 464 2HB LEU 83 2HB LEU 83 -5.430 -10.450 -6.407 465 HG LEU 83 HG LEU 83 -5.446 -8.602 -7.855 466 1HD1 LEU 83 1HD1 LEU 83 -7.340 -8.502 -6.200 467 2HD1 LEU 83 2HD1 LEU 83 -6.408 -7.289 -5.291 468 3HD1 LEU 83 3HD1 LEU 83 -6.916 -6.958 -6.960 469 1HD2 LEU 83 1HD2 LEU 83 -3.285 -7.689 -7.181 470 2HD2 LEU 83 2HD2 LEU 83 -4.506 -6.409 -7.315 471 3HD2 LEU 83 3HD2 LEU 83 -4.009 -6.990 -5.722 472 H ILE 84 H ILE 84 -6.339 -11.617 -4.894 473 HA ILE 84 HA ILE 84 -8.683 -10.504 -4.107 474 HB ILE 84 HB ILE 84 -7.952 -13.431 -3.963 475 1HG1 ILE 84 1HG1 ILE 84 -8.570 -13.177 -6.582 476 2HG1 ILE 84 2HG1 ILE 84 -7.762 -11.667 -6.387 477 1HG2 ILE 84 1HG2 ILE 84 -10.303 -12.727 -3.484 478 2HG2 ILE 84 2HG2 ILE 84 -10.396 -11.967 -5.087 479 3HG2 ILE 84 3HG2 ILE 84 -10.194 -13.724 -4.940 480 1HD1 ILE 84 1HD1 ILE 84 -5.803 -13.101 -5.357 481 2HD1 ILE 84 2HD1 ILE 84 -6.730 -14.496 -5.917 482 3HD1 ILE 84 3HD1 ILE 84 -6.145 -13.282 -7.078 483 H THR 85 H THR 85 -6.251 -12.298 -2.197 484 HA THR 85 HA THR 85 -7.889 -12.674 0.024 485 HB THR 85 HB THR 85 -4.847 -12.551 -0.057 486 HG1 THR 85 HG1 THR 85 -5.027 -14.601 -0.891 487 1HG2 THR 85 1HG2 THR 85 -6.831 -13.984 1.800 488 2HG2 THR 85 2HG2 THR 85 -5.085 -14.255 1.803 489 3HG2 THR 85 3HG2 THR 85 -5.723 -12.672 2.262 490 H LEU 86 H LEU 86 -5.792 -9.999 -0.815 491 HA LEU 86 HA LEU 86 -6.306 -8.411 1.566 492 1HB LEU 86 1HB LEU 86 -4.446 -8.055 -0.130 493 2HB LEU 86 2HB LEU 86 -5.665 -7.373 -1.206 494 HG LEU 86 HG LEU 86 -6.252 -5.898 0.998 495 1HD1 LEU 86 1HD1 LEU 86 -3.374 -6.805 1.371 496 2HD1 LEU 86 2HD1 LEU 86 -3.985 -5.282 2.021 497 3HD1 LEU 86 3HD1 LEU 86 -4.709 -6.806 2.548 498 1HD2 LEU 86 1HD2 LEU 86 -5.606 -5.003 -1.193 499 2HD2 LEU 86 2HD2 LEU 86 -4.899 -4.118 0.164 500 3HD2 LEU 86 3HD2 LEU 86 -3.894 -5.255 -0.781 501 H ALA 87 H ALA 87 -7.665 -8.454 -1.718 502 HA ALA 87 HA ALA 87 -9.520 -6.377 -1.419 503 1HB ALA 87 1HB ALA 87 -8.958 -7.595 -3.579 504 2HB ALA 87 2HB ALA 87 -10.034 -8.903 -3.051 505 3HB ALA 87 3HB ALA 87 -10.691 -7.281 -3.324 506 H GLU 88 H GLU 88 -10.004 -9.827 -0.746 507 HA GLU 88 HA GLU 88 -12.693 -9.668 0.200 508 1HB GLU 88 1HB GLU 88 -10.434 -11.631 0.661 509 2HB GLU 88 2HB GLU 88 -12.065 -11.910 1.243 510 1HG GLU 88 1HG GLU 88 -11.639 -11.313 -1.712 511 2HG GLU 88 2HG GLU 88 -11.181 -12.885 -1.084 512 H SER 89 H SER 89 -9.528 -9.317 1.823 513 HA SER 89 HA SER 89 -10.713 -9.361 4.445 514 1HB SER 89 1HB SER 89 -8.270 -9.797 3.828 515 2HB SER 89 2HB SER 89 -8.061 -8.040 3.812 516 HG SER 89 HG SER 89 -8.353 -7.984 5.950 517 H LEU 90 H LEU 90 -9.801 -6.765 2.198 518 HA LEU 90 HA LEU 90 -10.656 -4.537 3.759 519 1HB LEU 90 1HB LEU 90 -10.466 -5.033 0.766 520 2HB LEU 90 2HB LEU 90 -11.090 -3.526 1.406 521 HG LEU 90 HG LEU 90 -8.328 -4.566 2.091 522 1HD1 LEU 90 1HD1 LEU 90 -9.171 -2.649 -0.094 523 2HD1 LEU 90 2HD1 LEU 90 -7.492 -2.927 0.436 524 3HD1 LEU 90 3HD1 LEU 90 -8.415 -4.250 -0.281 525 1HD2 LEU 90 1HD2 LEU 90 -9.218 -2.853 3.684 526 2HD2 LEU 90 2HD2 LEU 90 -7.864 -2.237 2.749 527 3HD2 LEU 90 3HD2 LEU 90 -9.517 -1.758 2.311 528 H GLU 91 H GLU 91 -12.521 -6.730 1.543 529 HA GLU 91 HA GLU 91 -14.925 -5.221 1.944 530 1HB GLU 91 1HB GLU 91 -15.958 -6.617 0.525 531 2HB GLU 91 2HB GLU 91 -14.320 -7.013 0.094 532 1HG GLU 91 1HG GLU 91 -14.900 -9.170 0.349 533 2HG GLU 91 2HG GLU 91 -14.911 -8.937 2.073 534 H ARG 92 H ARG 92 -13.588 -8.003 3.772 535 HA ARG 92 HA ARG 92 -15.854 -8.320 5.449 536 1HB ARG 92 1HB ARG 92 -12.896 -8.607 6.146 537 2HB ARG 92 2HB ARG 92 -14.217 -9.140 7.170 538 1HG ARG 92 1HG ARG 92 -13.731 -10.198 4.355 539 2HG ARG 92 2HG ARG 92 -13.100 -10.910 5.819 540 1HD ARG 92 1HD ARG 92 -15.611 -11.062 6.576 541 2HD ARG 92 2HD ARG 92 -15.988 -10.674 4.896 542 HE ARG 92 HE ARG 92 -15.171 -12.691 4.181 543 1HH1 ARG 92 1HH1 ARG 92 -14.395 -12.377 7.666 544 2HH1 ARG 92 2HH1 ARG 92 -13.511 -13.891 7.694 545 1HH2 ARG 92 1HH2 ARG 92 -14.284 -14.809 4.404 546 2HH2 ARG 92 2HH2 ARG 92 -13.453 -15.268 5.846 547 H GLN 93 H GLN 93 -13.040 -6.149 5.747 548 HA GLN 93 HA GLN 93 -14.120 -4.908 8.147 549 1HB GLN 93 1HB GLN 93 -11.871 -4.006 6.301 550 2HB GLN 93 2HB GLN 93 -12.308 -3.287 7.854 551 1HG GLN 93 1HG GLN 93 -12.062 -5.919 8.605 552 2HG GLN 93 2HG GLN 93 -10.899 -5.870 7.285 553 1HE2 GLN 93 2HE2 GLN 93 -9.112 -4.204 7.460 554 2HE2 GLN 93 1HE2 GLN 93 -8.722 -3.483 9.014 555 H GLY 94 H GLY 94 -14.723 -4.362 4.685 556 1HA GLY 94 1HA GLY 94 -16.448 -3.080 3.846 557 2HA GLY 94 2HA GLY 94 -16.706 -2.330 5.420 558 H GLN 95 H GLN 95 -13.621 -2.578 3.663 559 HA GLN 95 HA GLN 95 -13.669 0.348 3.040 560 1HB GLN 95 1HB GLN 95 -11.331 -1.403 3.906 561 2HB GLN 95 2HB GLN 95 -11.127 0.157 3.121 562 1HG GLN 95 1HG GLN 95 -10.968 0.863 5.234 563 2HG GLN 95 2HG GLN 95 -12.701 1.060 5.026 564 1HE2 GLN 95 2HE2 GLN 95 -13.975 0.042 6.590 565 2HE2 GLN 95 1HE2 GLN 95 -13.412 -1.171 7.701 566 H LEU 96 H LEU 96 -13.915 -2.649 1.481 567 HA LEU 96 HA LEU 96 -11.880 -2.478 -0.472 568 1HB LEU 96 1HB LEU 96 -13.177 -4.493 -0.162 569 2HB LEU 96 2HB LEU 96 -14.635 -3.686 -0.756 570 HG LEU 96 HG LEU 96 -13.617 -3.398 -2.988 571 1HD1 LEU 96 1HD1 LEU 96 -11.182 -4.789 -1.778 572 2HD1 LEU 96 2HD1 LEU 96 -11.456 -4.582 -3.523 573 3HD1 LEU 96 3HD1 LEU 96 -11.224 -3.165 -2.504 574 1HD2 LEU 96 1HD2 LEU 96 -14.825 -5.476 -2.413 575 2HD2 LEU 96 2HD2 LEU 96 -13.561 -5.744 -3.631 576 3HD2 LEU 96 3HD2 LEU 96 -13.286 -6.216 -1.939 577 H ASP 97 H ASP 97 -15.208 -1.076 -0.562 578 HA ASP 97 HA ASP 97 -14.749 0.015 -3.205 579 1HB ASP 97 1HB ASP 97 -17.008 -0.495 -2.165 580 2HB ASP 97 2HB ASP 97 -16.806 0.966 -1.184 581 H SER 98 H SER 98 -14.313 1.176 0.142 582 HA SER 98 HA SER 98 -13.952 3.892 -0.335 583 1HB SER 98 1HB SER 98 -12.429 2.269 1.738 584 2HB SER 98 2HB SER 98 -12.864 3.981 1.797 585 HG SER 98 HG SER 98 -14.411 3.116 2.940 586 H VAL 99 H VAL 99 -11.590 1.232 -0.848 587 HA VAL 99 HA VAL 99 -9.460 3.198 -1.190 588 HB VAL 99 HB VAL 99 -7.998 1.342 -1.661 589 1HG1 VAL 99 1HG1 VAL 99 -8.581 2.003 0.679 590 2HG1 VAL 99 2HG1 VAL 99 -9.773 0.709 0.748 591 3HG1 VAL 99 3HG1 VAL 99 -8.066 0.307 0.526 592 1HG2 VAL 99 1HG2 VAL 99 -9.651 -0.172 -2.861 593 2HG2 VAL 99 2HG2 VAL 99 -8.639 -0.953 -1.645 594 3HG2 VAL 99 3HG2 VAL 99 -10.320 -0.572 -1.259 595 H GLY 100 H GLY 100 -11.878 1.990 -3.206 596 1HA GLY 100 1HA GLY 100 -12.013 3.188 -5.408 597 2HA GLY 100 2HA GLY 100 -10.355 2.690 -5.694 598 H GLY 101 H GLY 101 -12.096 0.182 -4.045 599 1HA GLY 101 1HA GLY 101 -13.296 -1.619 -4.727 600 2HA GLY 101 2HA GLY 101 -13.357 -0.990 -6.382 601 H PHE 102 H PHE 102 -12.979 -3.562 -6.278 602 HA PHE 102 HA PHE 102 -10.424 -4.660 -5.926 603 1HB PHE 102 1HB PHE 102 -12.602 -5.853 -6.432 604 2HB PHE 102 2HB PHE 102 -12.393 -5.420 -8.121 605 HD1 PHE 102 HD1 PHE 102 -10.327 -6.357 -9.388 606 HD2 PHE 102 HD2 PHE 102 -11.456 -7.679 -5.450 607 HE1 PHE 102 HE1 PHE 102 -8.928 -8.389 -9.660 608 HE2 PHE 102 HE2 PHE 102 -10.134 -9.736 -5.750 609 HZ PHE 102 HZ PHE 102 -8.855 -10.107 -7.845 610 H ALA 103 H ALA 103 -11.704 -2.853 -8.750 611 HA ALA 103 HA ALA 103 -9.548 -3.372 -10.509 612 1HB ALA 103 1HB ALA 103 -11.676 -2.366 -11.234 613 2HB ALA 103 2HB ALA 103 -11.318 -0.889 -10.310 614 3HB ALA 103 3HB ALA 103 -10.312 -1.339 -11.701 615 H TYR 104 H TYR 104 -9.786 -1.039 -7.819 616 HA TYR 104 HA TYR 104 -7.508 0.525 -8.616 617 1HB TYR 104 1HB TYR 104 -9.304 1.196 -6.984 618 2HB TYR 104 2HB TYR 104 -8.639 0.075 -5.806 619 HD1 TYR 104 HD1 TYR 104 -6.284 0.514 -4.889 620 HD2 TYR 104 HD2 TYR 104 -8.422 3.345 -7.350 621 HE1 TYR 104 HE1 TYR 104 -4.735 2.320 -4.179 622 HE2 TYR 104 HE2 TYR 104 -6.853 5.099 -6.719 623 HH TYR 104 HH TYR 104 -4.864 5.604 -5.587 624 H LEU 105 H LEU 105 -8.000 -2.218 -6.422 625 HA LEU 105 HA LEU 105 -5.289 -2.528 -5.541 626 1HB LEU 105 1HB LEU 105 -7.429 -4.682 -5.958 627 2HB LEU 105 2HB LEU 105 -5.986 -4.824 -4.987 628 HG LEU 105 HG LEU 105 -8.335 -2.964 -4.432 629 1HD1 LEU 105 1HD1 LEU 105 -8.823 -5.331 -4.070 630 2HD1 LEU 105 2HD1 LEU 105 -7.394 -5.488 -3.020 631 3HD1 LEU 105 3HD1 LEU 105 -8.760 -4.447 -2.541 632 1HD2 LEU 105 1HD2 LEU 105 -5.735 -3.403 -2.915 633 2HD2 LEU 105 2HD2 LEU 105 -6.365 -1.885 -3.595 634 3HD2 LEU 105 3HD2 LEU 105 -7.175 -2.636 -2.213 635 H ALA 106 H ALA 106 -7.148 -4.048 -8.201 636 HA ALA 106 HA ALA 106 -5.072 -5.613 -9.278 637 1HB ALA 106 1HB ALA 106 -7.457 -5.873 -9.824 638 2HB ALA 106 2HB ALA 106 -7.445 -4.301 -10.658 639 3HB ALA 106 3HB ALA 106 -6.493 -5.657 -11.292 640 H GLU 107 H GLU 107 -5.956 -2.220 -9.877 641 HA GLU 107 HA GLU 107 -4.052 -1.869 -11.989 642 1HB GLU 107 1HB GLU 107 -6.070 -0.515 -11.757 643 2HB GLU 107 2HB GLU 107 -5.461 0.220 -10.276 644 1HG GLU 107 1HG GLU 107 -3.913 1.541 -11.430 645 2HG GLU 107 2HG GLU 107 -3.717 0.357 -12.722 646 H LEU 108 H LEU 108 -3.874 -1.365 -8.447 647 HA LEU 108 HA LEU 108 -1.226 -0.241 -8.442 648 1HB LEU 108 1HB LEU 108 -2.526 -2.004 -6.327 649 2HB LEU 108 2HB LEU 108 -0.998 -1.161 -6.172 650 HG LEU 108 HG LEU 108 -3.794 -0.084 -6.029 651 1HD1 LEU 108 1HD1 LEU 108 -2.394 -0.677 -4.048 652 2HD1 LEU 108 2HD1 LEU 108 -1.215 0.551 -4.545 653 3HD1 LEU 108 3HD1 LEU 108 -2.855 1.038 -4.084 654 1HD2 LEU 108 1HD2 LEU 108 -1.386 1.560 -6.868 655 2HD2 LEU 108 2HD2 LEU 108 -2.900 1.370 -7.771 656 3HD2 LEU 108 3HD2 LEU 108 -2.909 2.251 -6.245 657 H SER 109 H SER 109 -2.402 -3.599 -8.237 658 HA SER 109 HA SER 109 0.143 -4.832 -8.087 659 1HB SER 109 1HB SER 109 -2.491 -5.679 -8.110 660 2HB SER 109 2HB SER 109 -1.920 -6.311 -9.654 661 HG SER 109 HG SER 109 -0.805 -6.655 -7.065 662 H LYS 110 H LYS 110 -1.776 -3.857 -10.945 663 HA LYS 110 HA LYS 110 0.275 -4.707 -12.817 664 1HB LYS 110 1HB LYS 110 -2.174 -2.931 -13.116 665 2HB LYS 110 2HB LYS 110 -1.153 -3.467 -14.470 666 1HG LYS 110 1HG LYS 110 -1.696 -5.763 -14.114 667 2HG LYS 110 2HG LYS 110 -2.417 -5.458 -12.556 668 1HD LYS 110 1HD LYS 110 -3.952 -3.871 -14.294 669 2HD LYS 110 2HD LYS 110 -3.643 -5.338 -15.226 670 1HE LYS 110 1HE LYS 110 -4.734 -5.186 -12.393 671 2HE LYS 110 2HE LYS 110 -5.726 -5.455 -13.821 672 1HZ LYS 110 1HZ LYS 110 -3.517 -7.313 -13.338 673 2HZ LYS 110 2HZ LYS 110 -4.842 -7.426 -12.357 674 3HZ LYS 110 3HZ LYS 110 -4.994 -7.597 -13.980 675 H ASN 111 H ASN 111 0.096 -1.976 -10.761 676 HA ASN 111 HA ASN 111 1.868 -0.328 -12.439 677 1HB ASN 111 1HB ASN 111 0.612 0.111 -9.683 678 2HB ASN 111 2HB ASN 111 1.872 1.156 -10.291 679 1HD2 ASN 111 2HD2 ASN 111 -0.907 1.989 -9.654 680 2HD2 ASN 111 1HD2 ASN 111 -1.443 2.682 -11.159 681 H THR 112 H THR 112 2.590 -3.011 -11.463 682 HA THR 112 HA THR 112 4.954 -2.441 -9.768 683 HB THR 112 HB THR 112 3.971 -5.134 -10.708 684 HG1 THR 112 HG1 THR 112 2.442 -4.543 -9.421 685 1HG2 THR 112 1HG2 THR 112 5.934 -4.159 -8.565 686 2HG2 THR 112 2HG2 THR 112 5.331 -5.818 -8.699 687 3HG2 THR 112 3HG2 THR 112 6.303 -5.146 -10.011 688 HA PRO 113 HA PRO 113 6.799 -2.383 -13.911 689 1HB PRO 113 1HB PRO 113 9.222 -1.168 -13.335 690 2HB PRO 113 2HB PRO 113 7.684 -0.286 -13.596 691 1HG PRO 113 1HG PRO 113 8.992 -1.053 -10.983 692 2HG PRO 113 2HG PRO 113 8.171 0.478 -11.431 693 1HD PRO 113 1HD PRO 113 6.950 -1.493 -9.965 694 2HD PRO 113 2HD PRO 113 6.076 -0.402 -11.087 695 H SER 114 H SER 114 7.839 -3.845 -11.188 696 HA SER 114 HA SER 114 8.469 -6.261 -12.359 697 1HB SER 114 1HB SER 114 10.732 -4.688 -12.790 698 2HB SER 114 2HB SER 114 11.159 -5.493 -11.290 699 HG SER 114 HG SER 114 10.775 -7.506 -12.330 700 H ALA 115 H ALA 115 9.160 -4.216 -9.569 701 HA ALA 115 HA ALA 115 8.843 -4.543 -7.337 702 1HB ALA 115 1HB ALA 115 7.243 -6.484 -7.698 703 2HB ALA 115 2HB ALA 115 8.654 -7.556 -7.628 704 3HB ALA 115 3HB ALA 115 8.243 -6.554 -6.238 705 H ALA 116 H ALA 116 11.193 -5.161 -9.373 706 HA ALA 116 HA ALA 116 13.236 -6.519 -7.862 707 1HB ALA 116 1HB ALA 116 13.333 -4.516 -10.184 708 2HB ALA 116 2HB ALA 116 14.738 -5.355 -9.510 709 3HB ALA 116 3HB ALA 116 13.441 -6.285 -10.288 710 H ASN 117 H ASN 117 12.903 -3.117 -8.765 711 HA ASN 117 HA ASN 117 14.647 -2.146 -6.734 712 1HB ASN 117 1HB ASN 117 12.892 -0.778 -8.797 713 2HB ASN 117 2HB ASN 117 13.965 0.093 -7.704 714 1HD2 ASN 117 2HD2 ASN 117 15.856 0.651 -8.688 715 2HD2 ASN 117 1HD2 ASN 117 16.791 -0.403 -9.736 716 H ILE 118 H ILE 118 12.150 -3.470 -5.670 717 HA ILE 118 HA ILE 118 10.215 -1.539 -4.969 718 HB ILE 118 HB ILE 118 9.999 -4.000 -5.055 719 1HG1 ILE 118 1HG1 ILE 118 8.991 -2.641 -2.530 720 2HG1 ILE 118 2HG1 ILE 118 8.235 -2.640 -4.126 721 1HG2 ILE 118 1HG2 ILE 118 12.028 -4.654 -3.780 722 2HG2 ILE 118 2HG2 ILE 118 11.118 -4.279 -2.284 723 3HG2 ILE 118 3HG2 ILE 118 10.552 -5.522 -3.412 724 1HD1 ILE 118 1HD1 ILE 118 7.962 -5.152 -3.913 725 2HD1 ILE 118 2HD1 ILE 118 8.500 -4.994 -2.224 726 3HD1 ILE 118 3HD1 ILE 118 7.026 -4.180 -2.754 727 H SER 119 H SER 119 12.729 -2.909 -3.019 728 HA SER 119 HA SER 119 12.209 -1.272 -0.741 729 1HB SER 119 1HB SER 119 13.771 -3.365 -0.977 730 2HB SER 119 2HB SER 119 15.047 -2.153 -1.253 731 HG SER 119 HG SER 119 14.943 -1.679 0.807 732 H ALA 120 H ALA 120 14.092 -0.598 -3.608 733 HA ALA 120 HA ALA 120 15.297 1.865 -2.608 734 1HB ALA 120 1HB ALA 120 16.305 0.614 -4.485 735 2HB ALA 120 2HB ALA 120 14.878 0.956 -5.491 736 3HB ALA 120 3HB ALA 120 15.915 2.285 -4.940 737 H TYR 121 H TYR 121 12.297 1.031 -4.380 738 HA TYR 121 HA TYR 121 11.385 3.746 -4.739 739 1HB TYR 121 1HB TYR 121 9.999 1.040 -4.689 740 2HB TYR 121 2HB TYR 121 9.123 2.552 -4.747 741 HD1 TYR 121 HD1 TYR 121 12.270 1.744 -6.721 742 HD2 TYR 121 HD2 TYR 121 8.022 2.432 -6.715 743 HE1 TYR 121 HE1 TYR 121 12.271 1.662 -9.167 744 HE2 TYR 121 HE2 TYR 121 8.025 2.340 -9.213 745 HH TYR 121 HH TYR 121 10.898 1.772 -11.198 746 H ALA 122 H ALA 122 10.824 1.234 -2.189 747 HA ALA 122 HA ALA 122 9.108 2.832 -0.569 748 1HB ALA 122 1HB ALA 122 9.371 0.387 -0.304 749 2HB ALA 122 2HB ALA 122 11.035 0.626 0.277 750 3HB ALA 122 3HB ALA 122 9.664 1.250 1.217 751 H ASP 123 H ASP 123 12.653 2.756 -0.810 752 HA ASP 123 HA ASP 123 13.205 4.431 1.399 753 1HB ASP 123 1HB ASP 123 14.682 3.056 -0.318 754 2HB ASP 123 2HB ASP 123 14.795 4.576 -1.153 755 H ILE 124 H ILE 124 11.997 5.188 -1.776 756 HA ILE 124 HA ILE 124 12.343 8.095 -1.660 757 HB ILE 124 HB ILE 124 10.113 6.640 -3.138 758 1HG1 ILE 124 1HG1 ILE 124 12.849 7.437 -4.226 759 2HG1 ILE 124 2HG1 ILE 124 12.350 5.783 -3.847 760 1HG2 ILE 124 1HG2 ILE 124 9.861 9.120 -2.803 761 2HG2 ILE 124 2HG2 ILE 124 11.385 9.336 -3.702 762 3HG2 ILE 124 3HG2 ILE 124 9.957 8.637 -4.487 763 1HD1 ILE 124 1HD1 ILE 124 10.528 5.954 -5.530 764 2HD1 ILE 124 2HD1 ILE 124 11.192 7.531 -6.029 765 3HD1 ILE 124 3HD1 ILE 124 12.172 6.068 -6.185 766 H VAL 125 H VAL 125 9.634 5.869 -0.969 767 HA VAL 125 HA VAL 125 7.808 7.715 0.064 768 HB VAL 125 HB VAL 125 8.145 4.815 0.917 769 1HG1 VAL 125 1HG1 VAL 125 5.714 6.642 0.875 770 2HG1 VAL 125 2HG1 VAL 125 5.679 4.897 1.240 771 3HG1 VAL 125 3HG1 VAL 125 6.527 6.015 2.306 772 1HG2 VAL 125 1HG2 VAL 125 6.714 5.866 -1.536 773 2HG2 VAL 125 2HG2 VAL 125 8.140 4.837 -1.507 774 3HG2 VAL 125 3HG2 VAL 125 6.631 4.198 -0.904 775 H ARG 126 H ARG 126 10.232 5.758 1.794 776 HA ARG 126 HA ARG 126 9.943 6.645 4.424 777 1HB ARG 126 1HB ARG 126 11.425 4.829 3.552 778 2HB ARG 126 2HB ARG 126 12.540 6.025 2.920 779 1HG ARG 126 1HG ARG 126 11.811 5.905 5.869 780 2HG ARG 126 2HG ARG 126 13.060 4.881 5.148 781 1HD ARG 126 1HD ARG 126 14.268 6.936 4.379 782 2HD ARG 126 2HD ARG 126 13.106 7.911 5.307 783 HE ARG 126 HE ARG 126 14.030 5.938 7.053 784 1HH1 ARG 126 1HH1 ARG 126 15.673 8.596 5.270 785 2HH1 ARG 126 2HH1 ARG 126 16.662 8.993 6.625 786 1HH2 ARG 126 1HH2 ARG 126 15.529 6.243 8.586 787 2HH2 ARG 126 2HH2 ARG 126 16.728 7.494 8.503 788 H GLU 127 H GLU 127 12.141 8.061 1.924 789 HA GLU 127 HA GLU 127 13.033 10.168 3.563 790 1HB GLU 127 1HB GLU 127 13.926 9.303 1.339 791 2HB GLU 127 2HB GLU 127 12.726 10.278 0.518 792 1HG GLU 127 1HG GLU 127 13.678 12.320 1.246 793 2HG GLU 127 2HG GLU 127 14.548 11.558 2.584 794 H ARG 128 H ARG 128 10.432 10.090 1.193 795 HA ARG 128 HA ARG 128 9.509 12.813 1.525 796 1HB ARG 128 1HB ARG 128 7.893 10.318 0.903 797 2HB ARG 128 2HB ARG 128 7.260 11.959 0.795 798 1HG ARG 128 1HG ARG 128 9.392 10.680 -0.932 799 2HG ARG 128 2HG ARG 128 7.764 11.127 -1.399 800 1HD ARG 128 1HD ARG 128 8.307 13.506 -1.123 801 2HD ARG 128 2HD ARG 128 9.950 13.099 -0.617 802 HE ARG 128 HE ARG 128 8.834 13.033 -3.329 803 1HH1 ARG 128 1HH1 ARG 128 11.404 11.678 -1.278 804 2HH1 ARG 128 2HH1 ARG 128 12.435 11.268 -2.595 805 1HH2 ARG 128 1HH2 ARG 128 10.032 12.405 -5.011 806 2HH2 ARG 128 2HH2 ARG 128 11.569 11.653 -4.897 807 H ALA 129 H ALA 129 8.695 9.865 3.423 808 HA ALA 129 HA ALA 129 6.682 11.216 4.958 809 1HB ALA 129 1HB ALA 129 6.746 8.762 4.585 810 2HB ALA 129 2HB ALA 129 8.203 8.654 5.598 811 3HB ALA 129 3HB ALA 129 6.655 9.205 6.289 812 H VAL 130 H VAL 130 10.187 10.581 5.464 813 HA VAL 130 HA VAL 130 10.263 11.758 8.080 814 HB VAL 130 HB VAL 130 12.393 11.291 5.964 815 1HG1 VAL 130 1HG1 VAL 130 12.654 12.297 8.826 816 2HG1 VAL 130 2HG1 VAL 130 13.985 11.575 7.905 817 3HG1 VAL 130 3HG1 VAL 130 13.244 13.077 7.339 818 1HG2 VAL 130 1HG2 VAL 130 11.362 9.240 7.006 819 2HG2 VAL 130 2HG2 VAL 130 13.055 9.441 7.458 820 3HG2 VAL 130 3HG2 VAL 130 11.769 9.871 8.606 821 H VAL 131 H VAL 131 10.705 13.106 4.786 822 HA VAL 131 HA VAL 131 11.074 15.812 5.589 823 HB VAL 131 HB VAL 131 10.089 14.499 3.049 824 1HG1 VAL 131 1HG1 VAL 131 10.745 17.440 3.443 825 2HG1 VAL 131 2HG1 VAL 131 10.552 16.623 1.869 826 3HG1 VAL 131 3HG1 VAL 131 9.176 16.755 2.960 827 1HG2 VAL 131 1HG2 VAL 131 12.522 14.186 3.782 828 2HG2 VAL 131 2HG2 VAL 131 12.321 14.973 2.218 829 3HG2 VAL 131 3HG2 VAL 131 12.719 15.933 3.657 830 H ARG 132 H ARG 132 8.140 13.853 5.348 831 HA ARG 132 HA ARG 132 6.254 15.977 5.407 832 1HB ARG 132 1HB ARG 132 5.879 13.504 4.891 833 2HB ARG 132 2HB ARG 132 5.817 13.230 6.626 834 1HG ARG 132 1HG ARG 132 3.998 15.387 5.679 835 2HG ARG 132 2HG ARG 132 3.707 13.820 4.939 836 1HD ARG 132 1HD ARG 132 2.303 13.941 6.861 837 2HD ARG 132 2HD ARG 132 3.572 12.756 7.178 838 HE ARG 132 HE ARG 132 3.916 15.561 8.105 839 1HH1 ARG 132 1HH1 ARG 132 3.463 12.142 9.064 840 2HH1 ARG 132 2HH1 ARG 132 4.242 12.371 10.576 841 1HH2 ARG 132 1HH2 ARG 132 4.436 15.934 10.284 842 2HH2 ARG 132 2HH2 ARG 132 4.282 14.663 11.433 843 H GLU 133 H GLU 133 8.149 14.517 7.946 844 HA GLU 133 HA GLU 133 6.703 16.034 10.045 845 1HB GLU 133 1HB GLU 133 7.676 14.525 11.621 846 2HB GLU 133 2HB GLU 133 6.948 13.671 10.243 847 1HG GLU 133 1HG GLU 133 8.970 13.003 9.344 848 2HG GLU 133 2HG GLU 133 9.909 14.113 10.357 849 H MET 134 H MET 134 9.662 15.914 8.442 850 HA MET 134 HA MET 134 11.144 17.837 10.108 851 1HB MET 134 1HB MET 134 11.426 17.177 7.156 852 2HB MET 134 2HB MET 134 12.503 18.265 8.018 853 1HG MET 134 1HG MET 134 13.255 16.494 9.494 854 2HG MET 134 2HG MET 134 12.169 15.352 8.709 855 1HE MET 134 1HE MET 134 15.585 17.119 8.664 856 2HE MET 134 2HE MET 134 16.085 17.060 6.961 857 3HE MET 134 3HE MET 134 14.772 18.144 7.463 858 H ILE 135 H ILE 135 8.217 18.392 8.661 859 HA ILE 135 HA ILE 135 8.772 21.241 8.106 860 HB ILE 135 HB ILE 135 7.428 19.185 6.321 861 1HG1 ILE 135 1HG1 ILE 135 9.565 21.337 5.905 862 2HG1 ILE 135 2HG1 ILE 135 9.876 19.614 6.102 863 1HG2 ILE 135 1HG2 ILE 135 5.849 21.068 6.502 864 2HG2 ILE 135 2HG2 ILE 135 7.156 22.208 6.081 865 3HG2 ILE 135 3HG2 ILE 135 6.580 20.991 4.916 866 1HD1 ILE 135 1HD1 ILE 135 8.458 20.787 3.711 867 2HD1 ILE 135 2HD1 ILE 135 10.151 20.287 3.821 868 3HD1 ILE 135 3HD1 ILE 135 8.878 19.082 3.996 869 H SER 136 H SER 136 7.084 22.590 8.551 870 HA SER 136 HA SER 136 5.795 21.971 11.013 871 1HB SER 136 1HB SER 136 5.555 24.370 9.136 872 2HB SER 136 2HB SER 136 5.056 24.342 10.832 873 HG SER 136 HG SER 136 7.111 24.202 11.501 Start of MODEL 4 1 1H MET 23 1H MET 23 1.764 21.130 -7.620 2 2H MET 23 2H MET 23 1.700 20.476 -9.121 3 3H MET 23 3H MET 23 2.958 21.484 -8.713 4 HA MET 23 HA MET 23 1.605 23.352 -8.621 5 1HB MET 23 1HB MET 23 2.360 22.702 -10.869 6 2HB MET 23 2HB MET 23 0.954 21.654 -11.069 7 1HG MET 23 1HG MET 23 -0.539 23.626 -10.915 8 2HG MET 23 2HG MET 23 0.860 24.677 -10.706 9 1HE MET 23 1HE MET 23 -0.240 26.125 -12.606 10 2HE MET 23 2HE MET 23 -0.553 25.549 -14.257 11 3HE MET 23 3HE MET 23 -1.536 24.943 -12.903 12 H LYS 24 H LYS 24 0.215 23.325 -6.947 13 HA LYS 24 HA LYS 24 -1.364 22.763 -5.515 14 1HB LYS 24 1HB LYS 24 -3.043 23.063 -7.436 15 2HB LYS 24 2HB LYS 24 -3.007 21.316 -7.628 16 1HG LYS 24 1HG LYS 24 -3.522 22.330 -4.861 17 2HG LYS 24 2HG LYS 24 -4.733 22.770 -6.046 18 1HD LYS 24 1HD LYS 24 -3.877 19.926 -5.405 19 2HD LYS 24 2HD LYS 24 -5.290 20.724 -4.759 20 1HE LYS 24 1HE LYS 24 -4.831 20.239 -7.741 21 2HE LYS 24 2HE LYS 24 -5.723 19.152 -6.676 22 1HZ LYS 24 1HZ LYS 24 -7.258 20.996 -6.202 23 2HZ LYS 24 2HZ LYS 24 -6.465 21.951 -7.279 24 3HZ LYS 24 3HZ LYS 24 -7.218 20.624 -7.805 25 H VAL 25 H VAL 25 -1.970 20.704 -4.394 26 HA VAL 25 HA VAL 25 -1.656 18.694 -3.568 27 HB VAL 25 HB VAL 25 -0.223 17.855 -6.097 28 1HG1 VAL 25 1HG1 VAL 25 0.022 16.300 -4.179 29 2HG1 VAL 25 2HG1 VAL 25 -1.744 16.238 -4.017 30 3HG1 VAL 25 3HG1 VAL 25 -0.969 15.590 -5.466 31 1HG2 VAL 25 1HG2 VAL 25 -3.209 17.677 -5.495 32 2HG2 VAL 25 2HG2 VAL 25 -2.440 18.618 -6.808 33 3HG2 VAL 25 3HG2 VAL 25 -2.387 16.867 -6.838 34 HA PRO 26 HA PRO 26 2.454 19.601 -1.969 35 1HB PRO 26 1HB PRO 26 2.696 17.666 -0.021 36 2HB PRO 26 2HB PRO 26 1.654 19.111 0.167 37 1HG PRO 26 1HG PRO 26 0.867 16.334 -0.725 38 2HG PRO 26 2HG PRO 26 0.064 17.361 0.504 39 1HD PRO 26 1HD PRO 26 -0.826 17.184 -2.062 40 2HD PRO 26 2HD PRO 26 -0.904 18.728 -1.169 41 HA PRO 27 HA PRO 27 4.941 16.582 -4.225 42 1HB PRO 27 1HB PRO 27 7.406 16.850 -2.976 43 2HB PRO 27 2HB PRO 27 6.775 17.920 -4.258 44 1HG PRO 27 1HG PRO 27 6.769 18.352 -1.278 45 2HG PRO 27 2HG PRO 27 7.097 19.540 -2.571 46 1HD PRO 27 1HD PRO 27 4.677 19.389 -1.306 47 2HD PRO 27 2HD PRO 27 4.815 19.821 -3.039 48 H HIS 28 H HIS 28 5.020 14.506 -3.970 49 HA HIS 28 HA HIS 28 5.019 13.160 -1.316 50 1HB HIS 28 1HB HIS 28 2.944 11.971 -2.165 51 2HB HIS 28 2HB HIS 28 2.736 13.677 -1.845 52 HD1 HIS 28 HD1 HIS 28 1.605 15.003 -3.693 53 HD2 HIS 28 HD2 HIS 28 3.644 11.637 -5.147 54 HE1 HIS 28 HE1 HIS 28 0.959 14.762 -6.149 55 H SER 29 H SER 29 4.521 10.602 -2.186 56 HA SER 29 HA SER 29 6.228 10.062 -4.566 57 1HB SER 29 1HB SER 29 6.926 7.962 -3.224 58 2HB SER 29 2HB SER 29 7.661 9.513 -2.834 59 HG SER 29 HG SER 29 5.406 8.453 -1.439 60 H ILE 30 H ILE 30 3.119 10.155 -4.034 61 HA ILE 30 HA ILE 30 1.900 7.812 -3.722 62 HB ILE 30 HB ILE 30 1.207 9.812 -5.913 63 1HG1 ILE 30 1HG1 ILE 30 1.117 11.120 -3.978 64 2HG1 ILE 30 2HG1 ILE 30 -0.534 10.593 -4.154 65 1HG2 ILE 30 1HG2 ILE 30 -0.080 7.681 -6.200 66 2HG2 ILE 30 2HG2 ILE 30 -0.737 7.896 -4.563 67 3HG2 ILE 30 3HG2 ILE 30 -1.093 9.067 -5.821 68 1HD1 ILE 30 1HD1 ILE 30 0.102 8.691 -2.536 69 2HD1 ILE 30 2HD1 ILE 30 1.572 9.617 -2.202 70 3HD1 ILE 30 3HD1 ILE 30 -0.007 10.339 -1.855 71 H GLU 31 H GLU 31 3.025 8.759 -7.001 72 HA GLU 31 HA GLU 31 2.174 6.224 -8.037 73 1HB GLU 31 1HB GLU 31 3.647 8.617 -9.103 74 2HB GLU 31 2HB GLU 31 3.570 7.113 -10.043 75 1HG GLU 31 1HG GLU 31 1.127 7.057 -9.879 76 2HG GLU 31 2HG GLU 31 1.102 8.253 -8.616 77 H ALA 32 H ALA 32 5.159 7.143 -6.669 78 HA ALA 32 HA ALA 32 6.600 4.677 -7.358 79 1HB ALA 32 1HB ALA 32 7.091 6.797 -5.219 80 2HB ALA 32 2HB ALA 32 8.077 5.361 -5.397 81 3HB ALA 32 3HB ALA 32 7.980 6.539 -6.729 82 H GLU 33 H GLU 33 4.734 5.855 -4.530 83 HA GLU 33 HA GLU 33 4.859 3.569 -2.865 84 1HB GLU 33 1HB GLU 33 2.558 5.535 -3.228 85 2HB GLU 33 2HB GLU 33 2.667 4.379 -1.944 86 1HG GLU 33 1HG GLU 33 4.403 5.516 -0.870 87 2HG GLU 33 2HG GLU 33 4.852 6.425 -2.319 88 H GLN 34 H GLN 34 2.753 4.317 -5.645 89 HA GLN 34 HA GLN 34 1.023 2.112 -5.416 90 1HB GLN 34 1HB GLN 34 2.001 3.601 -7.893 91 2HB GLN 34 2HB GLN 34 0.806 2.331 -7.954 92 1HG GLN 34 1HG GLN 34 -0.488 3.739 -6.144 93 2HG GLN 34 2HG GLN 34 0.576 5.036 -6.608 94 1HE2 GLN 34 2HE2 GLN 34 -2.031 2.909 -7.787 95 2HE2 GLN 34 1HE2 GLN 34 -2.392 3.935 -9.175 96 H SER 35 H SER 35 4.232 2.295 -7.046 97 HA SER 35 HA SER 35 4.152 -0.482 -7.848 98 1HB SER 35 1HB SER 35 6.411 1.545 -7.658 99 2HB SER 35 2HB SER 35 6.565 -0.089 -8.311 100 HG SER 35 HG SER 35 4.578 0.670 -9.652 101 H VAL 36 H VAL 36 5.051 1.142 -4.890 102 HA VAL 36 HA VAL 36 6.423 -1.172 -3.772 103 HB VAL 36 HB VAL 36 5.066 1.153 -2.327 104 1HG1 VAL 36 1HG1 VAL 36 6.964 -0.970 -1.287 105 2HG1 VAL 36 2HG1 VAL 36 6.444 0.469 -0.380 106 3HG1 VAL 36 3HG1 VAL 36 5.265 -0.773 -0.820 107 1HG2 VAL 36 1HG2 VAL 36 8.006 0.655 -2.954 108 2HG2 VAL 36 2HG2 VAL 36 6.975 1.888 -3.710 109 3HG2 VAL 36 3HG2 VAL 36 7.354 2.002 -1.993 110 H LEU 37 H LEU 37 3.068 0.106 -3.398 111 HA LEU 37 HA LEU 37 2.201 -2.138 -1.852 112 1HB LEU 37 1HB LEU 37 0.629 -0.178 -3.565 113 2HB LEU 37 2HB LEU 37 -0.097 -1.340 -2.454 114 HG LEU 37 HG LEU 37 1.791 0.929 -1.657 115 1HD1 LEU 37 1HD1 LEU 37 -1.207 0.562 -1.341 116 2HD1 LEU 37 2HD1 LEU 37 -0.230 1.860 -0.624 117 3HD1 LEU 37 3HD1 LEU 37 -0.375 1.738 -2.387 118 1HD2 LEU 37 1HD2 LEU 37 0.360 -1.131 0.064 119 2HD2 LEU 37 2HD2 LEU 37 2.104 -0.836 -0.046 120 3HD2 LEU 37 3HD2 LEU 37 1.056 0.380 0.682 121 H GLY 38 H GLY 38 2.012 -1.549 -5.402 122 1HA GLY 38 1HA GLY 38 0.721 -4.049 -5.997 123 2HA GLY 38 2HA GLY 38 1.705 -3.072 -7.090 124 H GLY 39 H GLY 39 4.176 -3.075 -5.527 125 1HA GLY 39 1HA GLY 39 5.457 -5.429 -6.339 126 2HA GLY 39 2HA GLY 39 6.037 -4.245 -5.174 127 H LEU 40 H LEU 40 3.877 -4.615 -3.254 128 HA LEU 40 HA LEU 40 4.871 -6.886 -1.790 129 1HB LEU 40 1HB LEU 40 2.376 -5.146 -1.496 130 2HB LEU 40 2HB LEU 40 2.812 -6.380 -0.338 131 HG LEU 40 HG LEU 40 4.563 -3.972 -1.027 132 1HD1 LEU 40 1HD1 LEU 40 2.749 -4.535 1.327 133 2HD1 LEU 40 2HD1 LEU 40 3.852 -3.159 1.220 134 3HD1 LEU 40 3HD1 LEU 40 2.501 -3.299 0.091 135 1HD2 LEU 40 1HD2 LEU 40 4.852 -6.282 0.911 136 2HD2 LEU 40 2HD2 LEU 40 6.021 -5.679 -0.279 137 3HD2 LEU 40 3HD2 LEU 40 5.659 -4.723 1.165 138 H MET 41 H MET 41 1.949 -6.415 -3.767 139 HA MET 41 HA MET 41 0.816 -9.023 -3.286 140 1HB MET 41 1HB MET 41 0.579 -7.383 -5.841 141 2HB MET 41 2HB MET 41 -0.543 -8.589 -5.233 142 1HG MET 41 1HG MET 41 -1.143 -7.101 -3.351 143 2HG MET 41 2HG MET 41 -0.008 -5.890 -3.973 144 1HE MET 41 1HE MET 41 -2.411 -4.430 -3.610 145 2HE MET 41 2HE MET 41 -1.195 -3.828 -4.769 146 3HE MET 41 3HE MET 41 -2.917 -3.841 -5.213 147 H LEU 42 H LEU 42 3.446 -7.829 -5.156 148 HA LEU 42 HA LEU 42 3.515 -9.791 -7.248 149 1HB LEU 42 1HB LEU 42 4.323 -7.215 -6.856 150 2HB LEU 42 2HB LEU 42 5.863 -8.029 -6.724 151 HG LEU 42 HG LEU 42 3.970 -8.503 -9.052 152 1HD1 LEU 42 1HD1 LEU 42 5.964 -6.271 -8.643 153 2HD1 LEU 42 2HD1 LEU 42 5.194 -6.673 -10.202 154 3HD1 LEU 42 3HD1 LEU 42 4.201 -6.136 -8.849 155 1HD2 LEU 42 1HD2 LEU 42 6.989 -8.755 -8.696 156 2HD2 LEU 42 2HD2 LEU 42 5.811 -10.060 -8.966 157 3HD2 LEU 42 3HD2 LEU 42 6.134 -8.898 -10.251 158 H ASP 43 H ASP 43 5.354 -9.174 -4.298 159 HA ASP 43 HA ASP 43 6.580 -11.863 -4.322 160 1HB ASP 43 1HB ASP 43 8.025 -10.591 -5.814 161 2HB ASP 43 2HB ASP 43 8.315 -9.382 -4.556 162 H ASN 44 H ASN 44 5.504 -12.172 -2.574 163 HA ASN 44 HA ASN 44 4.944 -10.475 -0.473 164 1HB ASN 44 1HB ASN 44 5.367 -13.482 -0.210 165 2HB ASN 44 2HB ASN 44 4.550 -12.454 0.958 166 1HD2 ASN 44 2HD2 ASN 44 2.408 -13.045 0.916 167 2HD2 ASN 44 1HD2 ASN 44 1.561 -13.464 -0.580 168 H GLU 45 H GLU 45 8.009 -12.159 -0.998 169 HA GLU 45 HA GLU 45 8.791 -12.075 1.805 170 1HB GLU 45 1HB GLU 45 10.776 -12.925 1.299 171 2HB GLU 45 2HB GLU 45 9.923 -13.455 -0.147 172 1HG GLU 45 1HG GLU 45 10.933 -11.719 -1.470 173 2HG GLU 45 2HG GLU 45 11.587 -10.888 -0.063 174 H ARG 46 H ARG 46 8.742 -9.733 -0.802 175 HA ARG 46 HA ARG 46 10.687 -8.027 0.504 176 1HB ARG 46 1HB ARG 46 8.847 -7.286 -1.796 177 2HB ARG 46 2HB ARG 46 10.312 -6.470 -1.223 178 1HG ARG 46 1HG ARG 46 11.291 -9.023 -1.651 179 2HG ARG 46 2HG ARG 46 10.021 -8.942 -2.866 180 1HD ARG 46 1HD ARG 46 12.094 -8.296 -3.874 181 2HD ARG 46 2HD ARG 46 11.110 -6.837 -3.739 182 HE ARG 46 HE ARG 46 12.753 -7.182 -1.399 183 1HH1 ARG 46 1HH1 ARG 46 12.983 -6.078 -4.775 184 2HH1 ARG 46 2HH1 ARG 46 14.425 -5.146 -4.503 185 1HH2 ARG 46 1HH2 ARG 46 14.621 -5.992 -1.051 186 2HH2 ARG 46 2HH2 ARG 46 15.489 -5.262 -2.367 187 H TRP 47 H TRP 47 7.583 -8.774 1.447 188 HA TRP 47 HA TRP 47 6.628 -6.234 2.391 189 1HB TRP 47 1HB TRP 47 5.260 -8.246 2.659 190 2HB TRP 47 2HB TRP 47 6.493 -8.995 3.668 191 HD1 TRP 47 HD1 TRP 47 6.764 -8.158 6.160 192 HE1 TRP 47 HE1 TRP 47 5.443 -6.640 7.707 193 HE3 TRP 47 HE3 TRP 47 3.520 -6.195 2.738 194 HZ2 TRP 47 HZ2 TRP 47 3.347 -4.569 7.417 195 HZ3 TRP 47 HZ3 TRP 47 1.961 -4.363 3.387 196 HH2 TRP 47 HH2 TRP 47 1.885 -3.562 5.710 197 H ASP 48 H ASP 48 9.188 -8.486 3.502 198 HA ASP 48 HA ASP 48 9.755 -7.115 5.943 199 1HB ASP 48 1HB ASP 48 11.308 -8.942 4.024 200 2HB ASP 48 2HB ASP 48 12.049 -8.278 5.442 201 H ASP 49 H ASP 49 10.659 -6.445 2.714 202 HA ASP 49 HA ASP 49 12.956 -4.668 3.392 203 1HB ASP 49 1HB ASP 49 11.397 -5.097 0.758 204 2HB ASP 49 2HB ASP 49 12.653 -3.900 0.958 205 H VAL 50 H VAL 50 9.622 -4.515 2.314 206 HA VAL 50 HA VAL 50 9.438 -1.650 2.191 207 HB VAL 50 HB VAL 50 7.498 -3.972 2.274 208 1HG1 VAL 50 1HG1 VAL 50 6.946 -0.965 1.925 209 2HG1 VAL 50 2HG1 VAL 50 5.776 -2.218 1.509 210 3HG1 VAL 50 3HG1 VAL 50 6.282 -2.026 3.193 211 1HG2 VAL 50 1HG2 VAL 50 8.394 -2.040 0.077 212 2HG2 VAL 50 2HG2 VAL 50 8.805 -3.763 0.194 213 3HG2 VAL 50 3HG2 VAL 50 7.142 -3.280 -0.121 214 H ALA 51 H ALA 51 8.382 -4.048 4.732 215 HA ALA 51 HA ALA 51 7.583 -2.021 6.518 216 1HB ALA 51 1HB ALA 51 8.416 -4.919 6.996 217 2HB ALA 51 2HB ALA 51 7.607 -3.891 8.190 218 3HB ALA 51 3HB ALA 51 6.768 -4.325 6.688 219 H GLU 52 H GLU 52 10.797 -3.155 5.746 220 HA GLU 52 HA GLU 52 11.900 -2.064 8.152 221 1HB GLU 52 1HB GLU 52 13.029 -3.299 5.686 222 2HB GLU 52 2HB GLU 52 14.083 -2.214 6.582 223 1HG GLU 52 1HG GLU 52 12.590 -4.403 8.047 224 2HG GLU 52 2HG GLU 52 14.094 -4.737 7.194 225 H ARG 53 H ARG 53 10.857 -0.857 5.117 226 HA ARG 53 HA ARG 53 12.491 1.627 5.272 227 1HB ARG 53 1HB ARG 53 10.970 0.203 3.099 228 2HB ARG 53 2HB ARG 53 10.813 1.947 3.135 229 1HG ARG 53 1HG ARG 53 12.564 1.892 1.812 230 2HG ARG 53 2HG ARG 53 13.433 1.949 3.322 231 1HD ARG 53 1HD ARG 53 12.803 -0.602 1.755 232 2HD ARG 53 2HD ARG 53 14.258 0.348 1.499 233 HE ARG 53 HE ARG 53 13.750 -1.550 3.567 234 1HH1 ARG 53 1HH1 ARG 53 15.513 1.519 2.903 235 2HH1 ARG 53 2HH1 ARG 53 16.761 1.183 4.053 236 1HH2 ARG 53 1HH2 ARG 53 15.587 -1.992 5.044 237 2HH2 ARG 53 2HH2 ARG 53 16.744 -0.717 5.297 238 H VAL 54 H VAL 54 9.093 0.490 5.319 239 HA VAL 54 HA VAL 54 8.265 3.188 6.227 240 HB VAL 54 HB VAL 54 6.281 2.768 4.722 241 1HG1 VAL 54 1HG1 VAL 54 7.952 4.543 4.343 242 2HG1 VAL 54 2HG1 VAL 54 8.926 3.408 3.378 243 3HG1 VAL 54 3HG1 VAL 54 7.300 3.876 2.837 244 1HG2 VAL 54 1HG2 VAL 54 6.816 0.432 4.069 245 2HG2 VAL 54 2HG2 VAL 54 6.517 1.525 2.704 246 3HG2 VAL 54 3HG2 VAL 54 8.174 1.052 3.108 247 H VAL 55 H VAL 55 6.184 3.301 7.099 248 HA VAL 55 HA VAL 55 4.875 0.854 8.092 249 HB VAL 55 HB VAL 55 4.415 2.293 10.197 250 1HG1 VAL 55 1HG1 VAL 55 7.193 1.149 9.750 251 2HG1 VAL 55 2HG1 VAL 55 6.511 1.594 11.324 252 3HG1 VAL 55 3HG1 VAL 55 5.751 0.314 10.383 253 1HG2 VAL 55 1HG2 VAL 55 5.352 4.416 9.307 254 2HG2 VAL 55 2HG2 VAL 55 6.095 3.929 10.846 255 3HG2 VAL 55 3HG2 VAL 55 6.974 3.697 9.350 256 H ALA 56 H ALA 56 2.554 1.430 8.589 257 HA ALA 56 HA ALA 56 1.445 2.541 6.275 258 1HB ALA 56 1HB ALA 56 0.234 0.938 7.686 259 2HB ALA 56 2HB ALA 56 0.107 2.140 8.980 260 3HB ALA 56 3HB ALA 56 -0.736 2.403 7.441 261 H ASP 57 H ASP 57 2.036 4.208 9.406 262 HA ASP 57 HA ASP 57 0.383 6.448 8.783 263 1HB ASP 57 1HB ASP 57 2.114 5.644 10.969 264 2HB ASP 57 2HB ASP 57 2.411 7.334 10.582 265 H ASP 58 H ASP 58 3.543 5.640 7.566 266 HA ASP 58 HA ASP 58 4.578 8.259 7.076 267 1HB ASP 58 1HB ASP 58 5.081 5.565 5.726 268 2HB ASP 58 2HB ASP 58 5.978 7.025 5.419 269 H PHE 59 H PHE 59 2.185 6.179 5.498 270 HA PHE 59 HA PHE 59 2.272 7.604 2.945 271 1HB PHE 59 1HB PHE 59 0.391 5.471 4.038 272 2HB PHE 59 2HB PHE 59 0.348 6.130 2.420 273 HD1 PHE 59 HD1 PHE 59 2.471 4.166 4.803 274 HD2 PHE 59 HD2 PHE 59 1.762 5.222 0.682 275 HE1 PHE 59 HE1 PHE 59 4.029 2.409 4.097 276 HE2 PHE 59 HE2 PHE 59 3.302 3.398 -0.027 277 HZ PHE 59 HZ PHE 59 4.441 2.000 1.666 278 H TYR 60 H TYR 60 1.317 9.564 2.807 279 HA TYR 60 HA TYR 60 -0.742 10.501 4.666 280 1HB TYR 60 1HB TYR 60 0.570 12.181 3.764 281 2HB TYR 60 2HB TYR 60 0.490 11.516 2.131 282 HD1 TYR 60 HD1 TYR 60 -1.644 13.173 4.742 283 HD2 TYR 60 HD2 TYR 60 -1.122 12.197 0.567 284 HE1 TYR 60 HE1 TYR 60 -3.596 14.574 4.171 285 HE2 TYR 60 HE2 TYR 60 -3.100 13.527 -0.002 286 HH TYR 60 HH TYR 60 -5.056 14.439 0.949 287 H THR 61 H THR 61 -0.662 8.688 1.632 288 HA THR 61 HA THR 61 -3.155 9.467 0.621 289 HB THR 61 HB THR 61 -2.351 6.917 -0.308 290 HG1 THR 61 HG1 THR 61 -0.205 7.423 -0.916 291 1HG2 THR 61 1HG2 THR 61 -3.605 8.522 -1.611 292 2HG2 THR 61 2HG2 THR 61 -2.225 9.635 -1.615 293 3HG2 THR 61 3HG2 THR 61 -2.122 8.053 -2.437 294 H ARG 62 H ARG 62 -4.990 9.117 1.558 295 HA ARG 62 HA ARG 62 -5.847 7.395 3.403 296 1HB ARG 62 1HB ARG 62 -6.933 9.330 1.885 297 2HB ARG 62 2HB ARG 62 -7.708 7.979 1.108 298 1HG ARG 62 1HG ARG 62 -7.827 8.610 4.090 299 2HG ARG 62 2HG ARG 62 -9.004 9.107 2.870 300 1HD ARG 62 1HD ARG 62 -9.103 6.511 2.316 301 2HD ARG 62 2HD ARG 62 -8.459 6.354 3.959 302 HE ARG 62 HE ARG 62 -10.439 7.245 4.840 303 1HH1 ARG 62 1HH1 ARG 62 -10.562 7.544 1.241 304 2HH1 ARG 62 2HH1 ARG 62 -12.267 7.679 1.214 305 1HH2 ARG 62 1HH2 ARG 62 -12.704 7.536 4.742 306 2HH2 ARG 62 2HH2 ARG 62 -13.473 7.889 3.244 307 HA PRO 63 HA PRO 63 -6.902 3.697 0.639 308 1HB PRO 63 1HB PRO 63 -6.080 3.449 -1.947 309 2HB PRO 63 2HB PRO 63 -7.576 4.325 -1.487 310 1HG PRO 63 1HG PRO 63 -4.844 5.512 -2.068 311 2HG PRO 63 2HG PRO 63 -6.442 6.007 -2.720 312 1HD PRO 63 1HD PRO 63 -5.322 7.273 -0.595 313 2HD PRO 63 2HD PRO 63 -7.080 6.982 -0.689 314 H HIS 64 H HIS 64 -3.646 5.178 0.073 315 HA HIS 64 HA HIS 64 -2.342 2.610 -0.158 316 1HB HIS 64 1HB HIS 64 -1.193 5.333 0.565 317 2HB HIS 64 2HB HIS 64 -0.258 3.894 0.285 318 HD1 HIS 64 HD1 HIS 64 0.695 5.924 -1.699 319 HD2 HIS 64 HD2 HIS 64 -2.761 3.568 -2.353 320 HE1 HIS 64 HE1 HIS 64 0.209 5.996 -4.208 321 H ARG 65 H ARG 65 -3.214 4.747 2.587 322 HA ARG 65 HA ARG 65 -1.815 3.236 4.588 323 1HB ARG 65 1HB ARG 65 -4.277 5.048 4.726 324 2HB ARG 65 2HB ARG 65 -3.671 4.137 6.117 325 1HG ARG 65 1HG ARG 65 -1.362 5.205 5.523 326 2HG ARG 65 2HG ARG 65 -2.324 6.394 4.637 327 1HD ARG 65 1HD ARG 65 -2.689 5.624 7.576 328 2HD ARG 65 2HD ARG 65 -1.781 7.019 7.021 329 HE ARG 65 HE ARG 65 -3.783 7.961 6.063 330 1HH1 ARG 65 1HH1 ARG 65 -4.379 5.515 8.626 331 2HH1 ARG 65 2HH1 ARG 65 -6.020 6.043 8.835 332 1HH2 ARG 65 1HH2 ARG 65 -5.852 8.466 6.257 333 2HH2 ARG 65 2HH2 ARG 65 -6.951 7.734 7.408 334 H HIS 66 H HIS 66 -5.295 3.108 3.542 335 HA HIS 66 HA HIS 66 -6.103 0.933 4.982 336 1HB HIS 66 1HB HIS 66 -6.637 1.850 2.123 337 2HB HIS 66 2HB HIS 66 -7.427 0.427 2.808 338 HD1 HIS 66 HD1 HIS 66 -8.244 3.928 2.353 339 HD2 HIS 66 HD2 HIS 66 -8.655 0.830 5.104 340 HE1 HIS 66 HE1 HIS 66 -10.320 4.515 3.714 341 H ILE 67 H ILE 67 -4.455 0.742 1.773 342 HA ILE 67 HA ILE 67 -4.511 -2.091 1.700 343 HB ILE 67 HB ILE 67 -2.717 -0.056 0.332 344 1HG1 ILE 67 1HG1 ILE 67 -5.079 -1.688 -0.727 345 2HG1 ILE 67 2HG1 ILE 67 -5.266 -0.076 -0.067 346 1HG2 ILE 67 1HG2 ILE 67 -3.030 -3.044 -0.223 347 2HG2 ILE 67 2HG2 ILE 67 -2.176 -1.906 -1.291 348 3HG2 ILE 67 3HG2 ILE 67 -1.563 -2.243 0.325 349 1HD1 ILE 67 1HD1 ILE 67 -3.643 0.799 -1.769 350 2HD1 ILE 67 2HD1 ILE 67 -3.720 -0.819 -2.522 351 3HD1 ILE 67 3HD1 ILE 67 -5.177 0.184 -2.411 352 H PHE 68 H PHE 68 -1.832 0.130 2.781 353 HA PHE 68 HA PHE 68 -0.076 -1.939 3.542 354 1HB PHE 68 1HB PHE 68 0.219 0.669 3.390 355 2HB PHE 68 2HB PHE 68 -0.275 0.670 5.073 356 HD1 PHE 68 HD1 PHE 68 1.170 -0.878 6.723 357 HD2 PHE 68 HD2 PHE 68 2.402 0.207 2.726 358 HE1 PHE 68 HE1 PHE 68 3.524 -1.368 7.301 359 HE2 PHE 68 HE2 PHE 68 4.732 -0.297 3.317 360 HZ PHE 68 HZ PHE 68 5.314 -1.083 5.619 361 H THR 69 H THR 69 -2.811 -0.473 5.305 362 HA THR 69 HA THR 69 -2.248 -1.631 7.874 363 HB THR 69 HB THR 69 -4.813 -0.586 6.556 364 HG1 THR 69 HG1 THR 69 -3.264 0.955 6.665 365 1HG2 THR 69 1HG2 THR 69 -5.385 -1.924 8.537 366 2HG2 THR 69 2HG2 THR 69 -4.281 -0.926 9.517 367 3HG2 THR 69 3HG2 THR 69 -5.729 -0.221 8.767 368 H GLU 70 H GLU 70 -4.367 -2.702 5.110 369 HA GLU 70 HA GLU 70 -5.163 -4.959 6.720 370 1HB GLU 70 1HB GLU 70 -6.446 -3.530 4.844 371 2HB GLU 70 2HB GLU 70 -5.785 -4.778 3.794 372 1HG GLU 70 1HG GLU 70 -8.008 -5.452 4.556 373 2HG GLU 70 2HG GLU 70 -6.833 -6.500 5.351 374 H MET 71 H MET 71 -2.742 -4.381 4.179 375 HA MET 71 HA MET 71 -1.999 -7.141 3.807 376 1HB MET 71 1HB MET 71 -0.453 -4.530 3.558 377 2HB MET 71 2HB MET 71 0.258 -6.119 3.245 378 1HG MET 71 1HG MET 71 -1.380 -6.566 1.492 379 2HG MET 71 2HG MET 71 -2.119 -4.977 1.745 380 1HE MET 71 1HE MET 71 -0.829 -6.419 -0.906 381 2HE MET 71 2HE MET 71 -1.530 -4.792 -1.168 382 3HE MET 71 3HE MET 71 0.117 -5.148 -1.701 383 H ALA 72 H ALA 72 -0.801 -4.564 6.087 384 HA ALA 72 HA ALA 72 0.999 -6.205 7.498 385 1HB ALA 72 1HB ALA 72 -0.701 -3.892 8.555 386 2HB ALA 72 2HB ALA 72 0.711 -4.597 9.362 387 3HB ALA 72 3HB ALA 72 0.906 -3.753 7.818 388 H ARG 73 H ARG 73 -2.472 -5.552 8.119 389 HA ARG 73 HA ARG 73 -2.778 -7.246 10.356 390 1HB ARG 73 1HB ARG 73 -4.451 -5.607 9.545 391 2HB ARG 73 2HB ARG 73 -4.755 -6.606 8.135 392 1HG ARG 73 1HG ARG 73 -6.512 -6.894 9.653 393 2HG ARG 73 2HG ARG 73 -5.634 -8.406 9.582 394 1HD ARG 73 1HD ARG 73 -4.928 -8.220 11.820 395 2HD ARG 73 2HD ARG 73 -4.962 -6.447 11.776 396 HE ARG 73 HE ARG 73 -7.091 -6.423 12.444 397 1HH1 ARG 73 1HH1 ARG 73 -6.564 -9.686 11.187 398 2HH1 ARG 73 2HH1 ARG 73 -8.231 -10.071 10.979 399 1HH2 ARG 73 1HH2 ARG 73 -9.315 -6.845 12.118 400 2HH2 ARG 73 2HH2 ARG 73 -9.850 -8.369 11.528 401 H LEU 74 H LEU 74 -3.026 -8.112 6.823 402 HA LEU 74 HA LEU 74 -3.885 -10.766 7.287 403 1HB LEU 74 1HB LEU 74 -2.564 -9.227 5.030 404 2HB LEU 74 2HB LEU 74 -2.730 -10.957 4.907 405 HG LEU 74 HG LEU 74 -5.122 -9.199 5.564 406 1HD1 LEU 74 1HD1 LEU 74 -4.155 -8.382 3.445 407 2HD1 LEU 74 2HD1 LEU 74 -4.203 -10.033 2.779 408 3HD1 LEU 74 3HD1 LEU 74 -5.710 -9.186 3.211 409 1HD2 LEU 74 1HD2 LEU 74 -4.881 -11.962 4.301 410 2HD2 LEU 74 2HD2 LEU 74 -5.443 -11.607 5.956 411 3HD2 LEU 74 3HD2 LEU 74 -6.396 -11.086 4.572 412 H GLN 75 H GLN 75 -0.580 -9.410 6.697 413 HA GLN 75 HA GLN 75 0.748 -11.874 7.029 414 1HB GLN 75 1HB GLN 75 1.577 -9.599 6.138 415 2HB GLN 75 2HB GLN 75 1.709 -9.063 7.784 416 1HG GLN 75 1HG GLN 75 3.881 -9.648 7.079 417 2HG GLN 75 2HG GLN 75 3.363 -10.846 8.263 418 1HE2 GLN 75 2HE2 GLN 75 5.464 -11.545 7.011 419 2HE2 GLN 75 1HE2 GLN 75 5.229 -12.763 5.783 420 H GLU 76 H GLU 76 -0.059 -9.396 9.379 421 HA GLU 76 HA GLU 76 0.916 -10.594 11.767 422 1HB GLU 76 1HB GLU 76 0.154 -8.247 11.558 423 2HB GLU 76 2HB GLU 76 -1.481 -8.796 11.241 424 1HG GLU 76 1HG GLU 76 -1.610 -8.023 13.389 425 2HG GLU 76 2HG GLU 76 -1.515 -9.758 13.620 426 H SER 77 H SER 77 -1.981 -11.358 9.885 427 HA SER 77 HA SER 77 -3.090 -13.182 11.909 428 1HB SER 77 1HB SER 77 -3.815 -12.938 9.088 429 2HB SER 77 2HB SER 77 -4.761 -13.674 10.370 430 HG SER 77 HG SER 77 -4.091 -10.902 10.163 431 H GLY 78 H GLY 78 -0.475 -13.323 9.672 432 1HA GLY 78 1HA GLY 78 0.694 -15.082 8.745 433 2HA GLY 78 2HA GLY 78 -0.282 -16.218 9.696 434 H SER 79 H SER 79 -1.394 -13.714 7.417 435 HA SER 79 HA SER 79 -2.601 -15.780 5.629 436 1HB SER 79 1HB SER 79 -3.623 -12.979 6.243 437 2HB SER 79 2HB SER 79 -4.393 -14.169 5.189 438 HG SER 79 HG SER 79 -4.459 -15.526 7.161 439 HA PRO 80 HA PRO 80 0.042 -13.910 2.681 440 1HB PRO 80 1HB PRO 80 -1.266 -14.176 0.286 441 2HB PRO 80 2HB PRO 80 -0.566 -15.541 1.156 442 1HG PRO 80 1HG PRO 80 -3.405 -14.603 1.153 443 2HG PRO 80 2HG PRO 80 -2.830 -16.283 0.988 444 1HD PRO 80 1HD PRO 80 -3.721 -15.331 3.375 445 2HD PRO 80 2HD PRO 80 -2.333 -16.454 3.282 446 H ILE 81 H ILE 81 0.421 -12.050 1.521 447 HA ILE 81 HA ILE 81 -1.682 -9.961 1.486 448 HB ILE 81 HB ILE 81 0.113 -8.371 1.176 449 1HG1 ILE 81 1HG1 ILE 81 2.020 -10.753 1.231 450 2HG1 ILE 81 2HG1 ILE 81 1.708 -9.691 -0.144 451 1HG2 ILE 81 1HG2 ILE 81 -0.614 -9.194 3.459 452 2HG2 ILE 81 2HG2 ILE 81 0.806 -10.255 3.478 453 3HG2 ILE 81 3HG2 ILE 81 1.008 -8.497 3.423 454 1HD1 ILE 81 1HD1 ILE 81 2.538 -7.772 1.331 455 2HD1 ILE 81 2HD1 ILE 81 3.106 -9.019 2.458 456 3HD1 ILE 81 3HD1 ILE 81 3.756 -8.958 0.808 457 H ASP 82 H ASP 82 -1.692 -12.269 -0.280 458 HA ASP 82 HA ASP 82 -1.068 -11.562 -2.991 459 1HB ASP 82 1HB ASP 82 -1.947 -13.795 -1.740 460 2HB ASP 82 2HB ASP 82 -3.519 -13.191 -2.235 461 H LEU 83 H LEU 83 -2.426 -10.551 -4.550 462 HA LEU 83 HA LEU 83 -4.083 -8.422 -3.794 463 1HB LEU 83 1HB LEU 83 -3.229 -8.499 -6.026 464 2HB LEU 83 2HB LEU 83 -4.122 -9.977 -6.368 465 HG LEU 83 HG LEU 83 -6.241 -8.944 -6.347 466 1HD1 LEU 83 1HD1 LEU 83 -5.861 -7.233 -4.522 467 2HD1 LEU 83 2HD1 LEU 83 -4.869 -6.340 -5.684 468 3HD1 LEU 83 3HD1 LEU 83 -6.624 -6.641 -5.986 469 1HD2 LEU 83 1HD2 LEU 83 -4.920 -8.638 -8.399 470 2HD2 LEU 83 2HD2 LEU 83 -6.030 -7.274 -8.102 471 3HD2 LEU 83 3HD2 LEU 83 -4.292 -7.090 -7.753 472 H ILE 84 H ILE 84 -5.187 -11.734 -4.859 473 HA ILE 84 HA ILE 84 -7.865 -11.094 -4.617 474 HB ILE 84 HB ILE 84 -6.554 -13.814 -4.275 475 1HG1 ILE 84 1HG1 ILE 84 -5.415 -12.774 -6.183 476 2HG1 ILE 84 2HG1 ILE 84 -6.438 -14.050 -6.677 477 1HG2 ILE 84 1HG2 ILE 84 -9.236 -12.949 -5.438 478 2HG2 ILE 84 2HG2 ILE 84 -8.550 -14.583 -5.594 479 3HG2 ILE 84 3HG2 ILE 84 -8.930 -13.929 -3.995 480 1HD1 ILE 84 1HD1 ILE 84 -8.182 -12.398 -7.414 481 2HD1 ILE 84 2HD1 ILE 84 -7.103 -11.082 -6.904 482 3HD1 ILE 84 3HD1 ILE 84 -6.629 -12.157 -8.223 483 H THR 85 H THR 85 -5.754 -12.724 -2.231 484 HA THR 85 HA THR 85 -7.719 -12.899 -0.262 485 HB THR 85 HB THR 85 -4.707 -12.725 0.167 486 HG1 THR 85 HG1 THR 85 -6.440 -14.854 -0.553 487 1HG2 THR 85 1HG2 THR 85 -7.015 -13.977 1.724 488 2HG2 THR 85 2HG2 THR 85 -5.318 -14.330 2.071 489 3HG2 THR 85 3HG2 THR 85 -5.917 -12.688 2.267 490 H LEU 86 H LEU 86 -5.554 -10.273 -1.045 491 HA LEU 86 HA LEU 86 -5.978 -8.590 1.214 492 1HB LEU 86 1HB LEU 86 -4.203 -8.237 -0.460 493 2HB LEU 86 2HB LEU 86 -5.379 -7.955 -1.699 494 HG LEU 86 HG LEU 86 -6.202 -5.924 -0.525 495 1HD1 LEU 86 1HD1 LEU 86 -3.843 -6.491 1.316 496 2HD1 LEU 86 2HD1 LEU 86 -4.677 -4.921 1.215 497 3HD1 LEU 86 3HD1 LEU 86 -5.549 -6.353 1.776 498 1HD2 LEU 86 1HD2 LEU 86 -3.281 -6.049 -1.283 499 2HD2 LEU 86 2HD2 LEU 86 -4.647 -5.823 -2.383 500 3HD2 LEU 86 3HD2 LEU 86 -4.275 -4.563 -1.203 501 H ALA 87 H ALA 87 -7.477 -8.583 -1.999 502 HA ALA 87 HA ALA 87 -9.458 -6.617 -1.414 503 1HB ALA 87 1HB ALA 87 -8.892 -7.363 -3.702 504 2HB ALA 87 2HB ALA 87 -9.609 -8.951 -3.355 505 3HB ALA 87 3HB ALA 87 -10.635 -7.496 -3.359 506 H GLU 88 H GLU 88 -9.633 -10.194 -1.195 507 HA GLU 88 HA GLU 88 -12.298 -10.314 -0.234 508 1HB GLU 88 1HB GLU 88 -9.965 -12.255 -0.089 509 2HB GLU 88 2HB GLU 88 -11.615 -12.673 0.405 510 1HG GLU 88 1HG GLU 88 -12.495 -12.264 -1.801 511 2HG GLU 88 2HG GLU 88 -10.995 -11.609 -2.392 512 H SER 89 H SER 89 -9.287 -9.650 1.487 513 HA SER 89 HA SER 89 -10.449 -9.978 4.097 514 1HB SER 89 1HB SER 89 -7.945 -9.890 3.485 515 2HB SER 89 2HB SER 89 -8.140 -8.142 3.331 516 HG SER 89 HG SER 89 -8.440 -9.805 5.595 517 H LEU 90 H LEU 90 -9.670 -7.225 1.990 518 HA LEU 90 HA LEU 90 -10.717 -5.167 3.540 519 1HB LEU 90 1HB LEU 90 -10.327 -5.477 0.556 520 2HB LEU 90 2HB LEU 90 -10.927 -3.986 1.246 521 HG LEU 90 HG LEU 90 -8.309 -5.205 2.208 522 1HD1 LEU 90 1HD1 LEU 90 -8.754 -3.255 -0.075 523 2HD1 LEU 90 2HD1 LEU 90 -7.168 -3.717 0.602 524 3HD1 LEU 90 3HD1 LEU 90 -8.179 -4.922 -0.217 525 1HD2 LEU 90 1HD2 LEU 90 -9.347 -2.330 2.206 526 2HD2 LEU 90 2HD2 LEU 90 -9.276 -3.389 3.634 527 3HD2 LEU 90 3HD2 LEU 90 -7.788 -2.867 2.847 528 H GLU 91 H GLU 91 -12.492 -7.126 1.029 529 HA GLU 91 HA GLU 91 -14.851 -5.529 1.377 530 1HB GLU 91 1HB GLU 91 -16.035 -7.302 0.125 531 2HB GLU 91 2HB GLU 91 -14.542 -6.813 -0.648 532 1HG GLU 91 1HG GLU 91 -14.000 -8.956 -0.815 533 2HG GLU 91 2HG GLU 91 -13.748 -8.987 0.927 534 H ARG 92 H ARG 92 -13.781 -8.452 3.161 535 HA ARG 92 HA ARG 92 -16.278 -8.665 4.639 536 1HB ARG 92 1HB ARG 92 -13.431 -9.567 5.267 537 2HB ARG 92 2HB ARG 92 -14.840 -9.926 6.270 538 1HG ARG 92 1HG ARG 92 -15.940 -11.049 4.346 539 2HG ARG 92 2HG ARG 92 -14.523 -10.764 3.342 540 1HD ARG 92 1HD ARG 92 -14.513 -12.325 5.949 541 2HD ARG 92 2HD ARG 92 -14.630 -13.060 4.353 542 HE ARG 92 HE ARG 92 -12.426 -11.792 3.892 543 1HH1 ARG 92 1HH1 ARG 92 -13.280 -13.425 6.951 544 2HH1 ARG 92 2HH1 ARG 92 -11.647 -13.819 7.370 545 1HH2 ARG 92 1HH2 ARG 92 -10.205 -12.423 4.450 546 2HH2 ARG 92 2HH2 ARG 92 -9.898 -13.186 5.963 547 H GLN 93 H GLN 93 -13.268 -6.840 4.999 548 HA GLN 93 HA GLN 93 -14.003 -5.567 7.488 549 1HB GLN 93 1HB GLN 93 -11.945 -4.813 5.391 550 2HB GLN 93 2HB GLN 93 -12.033 -4.150 7.012 551 1HG GLN 93 1HG GLN 93 -11.716 -7.158 6.637 552 2HG GLN 93 2HG GLN 93 -10.348 -6.098 6.454 553 1HE2 GLN 93 2HE2 GLN 93 -9.543 -4.959 8.314 554 2HE2 GLN 93 1HE2 GLN 93 -10.059 -5.410 9.954 555 H GLY 94 H GLY 94 -15.132 -5.054 4.196 556 1HA GLY 94 1HA GLY 94 -16.665 -3.501 3.434 557 2HA GLY 94 2HA GLY 94 -16.730 -2.763 5.038 558 H GLN 95 H GLN 95 -13.617 -3.219 3.601 559 HA GLN 95 HA GLN 95 -13.295 -0.283 3.237 560 1HB GLN 95 1HB GLN 95 -11.541 -2.419 4.424 561 2HB GLN 95 2HB GLN 95 -10.757 -1.163 3.480 562 1HG GLN 95 1HG GLN 95 -10.642 -0.457 5.704 563 2HG GLN 95 2HG GLN 95 -11.758 0.598 4.861 564 1HE2 GLN 95 2HE2 GLN 95 -11.398 -1.798 7.415 565 2HE2 GLN 95 1HE2 GLN 95 -13.039 -1.711 8.029 566 H LEU 96 H LEU 96 -13.861 -2.921 1.311 567 HA LEU 96 HA LEU 96 -11.717 -2.759 -0.596 568 1HB LEU 96 1HB LEU 96 -13.196 -4.693 -0.469 569 2HB LEU 96 2HB LEU 96 -14.554 -3.702 -1.029 570 HG LEU 96 HG LEU 96 -13.401 -3.293 -3.180 571 1HD1 LEU 96 1HD1 LEU 96 -11.182 -5.015 -1.982 572 2HD1 LEU 96 2HD1 LEU 96 -11.352 -4.711 -3.718 573 3HD1 LEU 96 3HD1 LEU 96 -11.039 -3.360 -2.628 574 1HD2 LEU 96 1HD2 LEU 96 -14.841 -5.306 -2.798 575 2HD2 LEU 96 2HD2 LEU 96 -13.641 -5.501 -4.084 576 3HD2 LEU 96 3HD2 LEU 96 -13.360 -6.251 -2.499 577 H ASP 97 H ASP 97 -14.894 -1.107 -0.345 578 HA ASP 97 HA ASP 97 -14.459 0.531 -2.707 579 1HB ASP 97 1HB ASP 97 -16.421 0.413 -0.509 580 2HB ASP 97 2HB ASP 97 -16.024 2.058 -0.969 581 H SER 98 H SER 98 -13.603 0.874 0.729 582 HA SER 98 HA SER 98 -12.836 3.571 0.653 583 1HB SER 98 1HB SER 98 -11.832 1.443 2.564 584 2HB SER 98 2HB SER 98 -11.990 3.183 2.832 585 HG SER 98 HG SER 98 -13.766 2.155 3.742 586 H VAL 99 H VAL 99 -10.981 0.699 -0.338 587 HA VAL 99 HA VAL 99 -8.488 2.235 -0.523 588 HB VAL 99 HB VAL 99 -7.622 0.202 -1.683 589 1HG1 VAL 99 1HG1 VAL 99 -8.954 -0.180 1.030 590 2HG1 VAL 99 2HG1 VAL 99 -7.682 -1.225 0.356 591 3HG1 VAL 99 3HG1 VAL 99 -7.344 0.471 0.639 592 1HG2 VAL 99 1HG2 VAL 99 -9.830 -0.600 -2.631 593 2HG2 VAL 99 2HG2 VAL 99 -8.873 -1.831 -1.821 594 3HG2 VAL 99 3HG2 VAL 99 -10.240 -1.128 -0.971 595 H GLY 100 H GLY 100 -11.282 2.394 -2.363 596 1HA GLY 100 1HA GLY 100 -11.429 3.715 -4.347 597 2HA GLY 100 2HA GLY 100 -9.772 3.277 -4.782 598 H GLY 101 H GLY 101 -11.923 0.759 -3.523 599 1HA GLY 101 1HA GLY 101 -13.172 -0.869 -4.512 600 2HA GLY 101 2HA GLY 101 -12.995 -0.066 -6.070 601 H PHE 102 H PHE 102 -12.824 -2.774 -5.989 602 HA PHE 102 HA PHE 102 -10.253 -3.920 -5.641 603 1HB PHE 102 1HB PHE 102 -12.591 -4.999 -6.189 604 2HB PHE 102 2HB PHE 102 -12.123 -4.752 -7.861 605 HD1 PHE 102 HD1 PHE 102 -9.615 -5.733 -8.461 606 HD2 PHE 102 HD2 PHE 102 -12.192 -7.098 -5.273 607 HE1 PHE 102 HE1 PHE 102 -8.364 -7.851 -8.345 608 HE2 PHE 102 HE2 PHE 102 -11.020 -9.270 -5.279 609 HZ PHE 102 HZ PHE 102 -9.037 -9.621 -6.739 610 H ALA 103 H ALA 103 -11.652 -2.015 -8.356 611 HA ALA 103 HA ALA 103 -9.717 -2.674 -10.264 612 1HB ALA 103 1HB ALA 103 -11.821 -1.453 -10.778 613 2HB ALA 103 2HB ALA 103 -11.197 -0.020 -9.926 614 3HB ALA 103 3HB ALA 103 -10.403 -0.591 -11.403 615 H TYR 104 H TYR 104 -9.383 -0.373 -7.520 616 HA TYR 104 HA TYR 104 -6.973 0.779 -8.691 617 1HB TYR 104 1HB TYR 104 -8.444 1.886 -6.885 618 2HB TYR 104 2HB TYR 104 -7.692 0.798 -5.740 619 HD1 TYR 104 HD1 TYR 104 -6.262 2.816 -8.656 620 HD2 TYR 104 HD2 TYR 104 -6.201 2.079 -4.402 621 HE1 TYR 104 HE1 TYR 104 -4.606 4.603 -8.357 622 HE2 TYR 104 HE2 TYR 104 -4.549 3.902 -4.121 623 HH TYR 104 HH TYR 104 -3.307 5.870 -6.868 624 H LEU 105 H LEU 105 -7.722 -1.889 -6.409 625 HA LEU 105 HA LEU 105 -4.981 -2.452 -5.734 626 1HB LEU 105 1HB LEU 105 -7.142 -4.554 -5.920 627 2HB LEU 105 2HB LEU 105 -5.696 -4.512 -4.915 628 HG LEU 105 HG LEU 105 -8.053 -2.665 -4.453 629 1HD1 LEU 105 1HD1 LEU 105 -8.610 -5.028 -4.020 630 2HD1 LEU 105 2HD1 LEU 105 -7.176 -5.196 -2.985 631 3HD1 LEU 105 3HD1 LEU 105 -8.504 -4.109 -2.516 632 1HD2 LEU 105 1HD2 LEU 105 -5.441 -3.205 -2.955 633 2HD2 LEU 105 2HD2 LEU 105 -5.972 -1.675 -3.692 634 3HD2 LEU 105 3HD2 LEU 105 -6.801 -2.312 -2.268 635 H ALA 106 H ALA 106 -7.153 -3.711 -8.288 636 HA ALA 106 HA ALA 106 -5.240 -5.505 -9.397 637 1HB ALA 106 1HB ALA 106 -7.645 -5.632 -9.877 638 2HB ALA 106 2HB ALA 106 -7.574 -4.071 -10.729 639 3HB ALA 106 3HB ALA 106 -6.706 -5.488 -11.372 640 H GLU 107 H GLU 107 -6.001 -2.112 -10.137 641 HA GLU 107 HA GLU 107 -4.063 -1.844 -12.227 642 1HB GLU 107 1HB GLU 107 -6.002 -0.324 -11.863 643 2HB GLU 107 2HB GLU 107 -5.198 0.343 -10.435 644 1HG GLU 107 1HG GLU 107 -3.364 1.182 -11.849 645 2HG GLU 107 2HG GLU 107 -4.047 0.364 -13.266 646 H LEU 108 H LEU 108 -3.770 -1.526 -8.675 647 HA LEU 108 HA LEU 108 -1.177 -0.335 -8.657 648 1HB LEU 108 1HB LEU 108 -2.743 -2.017 -6.676 649 2HB LEU 108 2HB LEU 108 -1.093 -1.546 -6.321 650 HG LEU 108 HG LEU 108 -3.186 0.549 -7.060 651 1HD1 LEU 108 1HD1 LEU 108 -2.462 -0.529 -4.307 652 2HD1 LEU 108 2HD1 LEU 108 -3.443 0.929 -4.617 653 3HD1 LEU 108 3HD1 LEU 108 -4.055 -0.649 -5.097 654 1HD2 LEU 108 1HD2 LEU 108 -0.587 0.617 -5.501 655 2HD2 LEU 108 2HD2 LEU 108 -0.857 1.231 -7.141 656 3HD2 LEU 108 3HD2 LEU 108 -1.688 1.988 -5.751 657 H SER 109 H SER 109 -2.149 -3.758 -8.393 658 HA SER 109 HA SER 109 0.463 -4.905 -8.447 659 1HB SER 109 1HB SER 109 -1.335 -6.385 -7.997 660 2HB SER 109 2HB SER 109 -2.258 -5.847 -9.401 661 HG SER 109 HG SER 109 0.137 -7.405 -9.486 662 H LYS 110 H LYS 110 -1.768 -3.921 -11.044 663 HA LYS 110 HA LYS 110 0.162 -4.521 -13.168 664 1HB LYS 110 1HB LYS 110 -2.740 -3.612 -13.251 665 2HB LYS 110 2HB LYS 110 -1.802 -4.264 -14.604 666 1HG LYS 110 1HG LYS 110 -1.764 -6.446 -13.745 667 2HG LYS 110 2HG LYS 110 -2.187 -5.958 -12.118 668 1HD LYS 110 1HD LYS 110 -4.455 -5.205 -13.203 669 2HD LYS 110 2HD LYS 110 -4.008 -6.358 -14.467 670 1HE LYS 110 1HE LYS 110 -4.190 -6.891 -11.455 671 2HE LYS 110 2HE LYS 110 -5.433 -7.336 -12.632 672 1HZ LYS 110 1HZ LYS 110 -2.680 -8.435 -12.612 673 2HZ LYS 110 2HZ LYS 110 -3.980 -9.197 -12.010 674 3HZ LYS 110 3HZ LYS 110 -3.915 -8.912 -13.601 675 H ASN 111 H ASN 111 0.817 -2.405 -11.379 676 HA ASN 111 HA ASN 111 1.554 -0.336 -13.308 677 1HB ASN 111 1HB ASN 111 -0.457 0.628 -12.233 678 2HB ASN 111 2HB ASN 111 0.257 0.335 -10.637 679 1HD2 ASN 111 2HD2 ASN 111 -0.122 2.698 -10.320 680 2HD2 ASN 111 1HD2 ASN 111 1.040 3.824 -10.971 681 H THR 112 H THR 112 2.912 -2.604 -12.276 682 HA THR 112 HA THR 112 4.943 -1.346 -10.524 683 HB THR 112 HB THR 112 3.729 -4.082 -10.050 684 HG1 THR 112 HG1 THR 112 2.379 -2.449 -9.242 685 1HG2 THR 112 1HG2 THR 112 5.922 -2.471 -8.651 686 2HG2 THR 112 2HG2 THR 112 5.186 -3.952 -8.015 687 3HG2 THR 112 3HG2 THR 112 6.112 -4.013 -9.509 688 HA PRO 113 HA PRO 113 7.358 -3.465 -13.756 689 1HB PRO 113 1HB PRO 113 9.610 -2.028 -13.623 690 2HB PRO 113 2HB PRO 113 8.096 -1.279 -14.192 691 1HG PRO 113 1HG PRO 113 9.303 -1.105 -11.406 692 2HG PRO 113 2HG PRO 113 8.664 0.221 -12.427 693 1HD PRO 113 1HD PRO 113 7.201 -1.091 -10.470 694 2HD PRO 113 2HD PRO 113 6.470 -0.279 -11.883 695 H SER 114 H SER 114 6.905 -5.144 -11.926 696 HA SER 114 HA SER 114 7.511 -6.739 -10.486 697 1HB SER 114 1HB SER 114 10.364 -6.105 -11.312 698 2HB SER 114 2HB SER 114 9.821 -7.556 -10.477 699 HG SER 114 HG SER 114 10.042 -7.689 -12.801 700 H ALA 115 H ALA 115 8.841 -7.225 -8.383 701 HA ALA 115 HA ALA 115 8.904 -4.818 -6.672 702 1HB ALA 115 1HB ALA 115 7.765 -6.823 -5.840 703 2HB ALA 115 2HB ALA 115 9.254 -7.764 -6.026 704 3HB ALA 115 3HB ALA 115 9.179 -6.434 -4.855 705 H ALA 116 H ALA 116 10.867 -5.741 -8.940 706 HA ALA 116 HA ALA 116 13.310 -6.605 -8.087 707 1HB ALA 116 1HB ALA 116 12.685 -6.261 -10.446 708 2HB ALA 116 2HB ALA 116 12.731 -4.500 -10.226 709 3HB ALA 116 3HB ALA 116 14.219 -5.450 -10.069 710 H ASN 117 H ASN 117 12.316 -3.172 -8.269 711 HA ASN 117 HA ASN 117 14.643 -2.434 -6.549 712 1HB ASN 117 1HB ASN 117 13.170 -0.758 -8.605 713 2HB ASN 117 2HB ASN 117 14.482 -0.189 -7.585 714 1HD2 ASN 117 2HD2 ASN 117 16.502 -1.893 -7.643 715 2HD2 ASN 117 1HD2 ASN 117 17.019 -2.232 -9.278 716 H ILE 118 H ILE 118 11.921 -3.389 -5.640 717 HA ILE 118 HA ILE 118 10.231 -1.309 -4.917 718 HB ILE 118 HB ILE 118 10.000 -3.817 -4.742 719 1HG1 ILE 118 1HG1 ILE 118 8.883 -2.132 -2.472 720 2HG1 ILE 118 2HG1 ILE 118 8.256 -2.212 -4.124 721 1HG2 ILE 118 1HG2 ILE 118 11.920 -4.216 -3.212 722 2HG2 ILE 118 2HG2 ILE 118 10.933 -3.561 -1.887 723 3HG2 ILE 118 3HG2 ILE 118 10.410 -4.999 -2.774 724 1HD1 ILE 118 1HD1 ILE 118 7.796 -4.654 -3.813 725 2HD1 ILE 118 2HD1 ILE 118 8.286 -4.507 -2.115 726 3HD1 ILE 118 3HD1 ILE 118 6.883 -3.615 -2.700 727 H SER 119 H SER 119 12.987 -2.539 -3.259 728 HA SER 119 HA SER 119 12.994 -1.033 -0.900 729 1HB SER 119 1HB SER 119 14.515 -2.968 -1.714 730 2HB SER 119 2HB SER 119 15.546 -1.708 -2.396 731 HG SER 119 HG SER 119 15.964 -2.617 -0.232 732 H ALA 120 H ALA 120 14.116 -0.024 -4.055 733 HA ALA 120 HA ALA 120 15.227 2.520 -3.141 734 1HB ALA 120 1HB ALA 120 16.018 1.373 -5.227 735 2HB ALA 120 2HB ALA 120 14.437 1.697 -5.973 736 3HB ALA 120 3HB ALA 120 15.486 3.043 -5.502 737 H TYR 121 H TYR 121 12.143 1.414 -4.610 738 HA TYR 121 HA TYR 121 10.968 4.025 -4.792 739 1HB TYR 121 1HB TYR 121 9.800 1.214 -4.678 740 2HB TYR 121 2HB TYR 121 8.828 2.662 -4.800 741 HD1 TYR 121 HD1 TYR 121 9.398 4.329 -6.759 742 HD2 TYR 121 HD2 TYR 121 10.378 0.132 -6.737 743 HE1 TYR 121 HE1 TYR 121 9.302 4.308 -9.220 744 HE2 TYR 121 HE2 TYR 121 10.358 0.116 -9.209 745 HH TYR 121 HH TYR 121 9.122 2.865 -11.077 746 H ALA 122 H ALA 122 10.850 1.456 -2.230 747 HA ALA 122 HA ALA 122 9.115 2.926 -0.483 748 1HB ALA 122 1HB ALA 122 9.451 0.456 -0.429 749 2HB ALA 122 2HB ALA 122 11.113 0.721 0.143 750 3HB ALA 122 3HB ALA 122 9.727 1.228 1.140 751 H ASP 123 H ASP 123 12.701 2.824 -0.824 752 HA ASP 123 HA ASP 123 13.229 4.461 1.453 753 1HB ASP 123 1HB ASP 123 14.713 3.842 -1.103 754 2HB ASP 123 2HB ASP 123 15.206 5.238 -0.166 755 H ILE 124 H ILE 124 12.341 5.290 -1.927 756 HA ILE 124 HA ILE 124 12.449 8.125 -1.601 757 HB ILE 124 HB ILE 124 11.203 6.209 -3.532 758 1HG1 ILE 124 1HG1 ILE 124 12.720 8.711 -4.192 759 2HG1 ILE 124 2HG1 ILE 124 13.554 7.308 -3.527 760 1HG2 ILE 124 1HG2 ILE 124 10.339 9.120 -3.512 761 2HG2 ILE 124 2HG2 ILE 124 10.082 7.968 -4.836 762 3HG2 ILE 124 3HG2 ILE 124 9.301 7.687 -3.293 763 1HD1 ILE 124 1HD1 ILE 124 11.845 7.261 -6.052 764 2HD1 ILE 124 2HD1 ILE 124 13.616 7.269 -5.972 765 3HD1 ILE 124 3HD1 ILE 124 12.709 5.880 -5.356 766 H VAL 125 H VAL 125 9.850 5.768 -0.845 767 HA VAL 125 HA VAL 125 7.937 7.770 -0.126 768 HB VAL 125 HB VAL 125 8.098 4.945 0.995 769 1HG1 VAL 125 1HG1 VAL 125 5.762 6.894 0.720 770 2HG1 VAL 125 2HG1 VAL 125 5.648 5.218 1.307 771 3HG1 VAL 125 3HG1 VAL 125 6.545 6.414 2.237 772 1HG2 VAL 125 1HG2 VAL 125 6.859 5.958 -1.576 773 2HG2 VAL 125 2HG2 VAL 125 8.010 4.647 -1.359 774 3HG2 VAL 125 3HG2 VAL 125 6.379 4.418 -0.792 775 H ARG 126 H ARG 126 10.206 5.842 1.917 776 HA ARG 126 HA ARG 126 9.431 7.230 4.283 777 1HB ARG 126 1HB ARG 126 10.754 5.072 4.203 778 2HB ARG 126 2HB ARG 126 12.186 6.041 3.832 779 1HG ARG 126 1HG ARG 126 10.881 7.313 6.080 780 2HG ARG 126 2HG ARG 126 10.817 5.612 6.407 781 1HD ARG 126 1HD ARG 126 13.352 7.124 5.639 782 2HD ARG 126 2HD ARG 126 12.841 6.844 7.300 783 HE ARG 126 HE ARG 126 14.086 4.947 5.481 784 1HH1 ARG 126 1HH1 ARG 126 12.012 5.162 8.379 785 2HH1 ARG 126 2HH1 ARG 126 12.432 3.571 8.931 786 1HH2 ARG 126 1HH2 ARG 126 14.544 2.941 6.114 787 2HH2 ARG 126 2HH2 ARG 126 13.725 2.134 7.439 788 H GLU 127 H GLU 127 12.053 7.995 1.927 789 HA GLU 127 HA GLU 127 13.173 10.215 3.235 790 1HB GLU 127 1HB GLU 127 13.870 9.068 1.047 791 2HB GLU 127 2HB GLU 127 12.581 9.931 0.259 792 1HG GLU 127 1HG GLU 127 14.448 11.235 -0.190 793 2HG GLU 127 2HG GLU 127 13.685 12.106 1.126 794 H ARG 128 H ARG 128 10.445 10.108 0.955 795 HA ARG 128 HA ARG 128 9.775 12.886 1.213 796 1HB ARG 128 1HB ARG 128 8.147 10.466 0.351 797 2HB ARG 128 2HB ARG 128 7.374 12.044 0.514 798 1HG ARG 128 1HG ARG 128 9.886 11.631 -1.147 799 2HG ARG 128 2HG ARG 128 8.266 11.445 -1.821 800 1HD ARG 128 1HD ARG 128 7.782 13.704 -1.747 801 2HD ARG 128 2HD ARG 128 8.764 13.989 -0.319 802 HE ARG 128 HE ARG 128 10.678 14.262 -1.555 803 1HH1 ARG 128 1HH1 ARG 128 8.074 13.271 -3.846 804 2HH1 ARG 128 2HH1 ARG 128 8.904 13.990 -5.193 805 1HH2 ARG 128 1HH2 ARG 128 11.759 14.992 -3.416 806 2HH2 ARG 128 2HH2 ARG 128 11.094 14.663 -4.981 807 H ALA 129 H ALA 129 8.618 10.101 3.176 808 HA ALA 129 HA ALA 129 6.870 11.703 4.778 809 1HB ALA 129 1HB ALA 129 6.768 9.222 4.612 810 2HB ALA 129 2HB ALA 129 8.276 9.114 5.555 811 3HB ALA 129 3HB ALA 129 6.814 9.814 6.279 812 H VAL 130 H VAL 130 10.371 10.899 5.148 813 HA VAL 130 HA VAL 130 10.739 12.096 7.712 814 HB VAL 130 HB VAL 130 12.573 11.440 5.378 815 1HG1 VAL 130 1HG1 VAL 130 13.387 12.603 8.069 816 2HG1 VAL 130 2HG1 VAL 130 14.488 11.749 6.968 817 3HG1 VAL 130 3HG1 VAL 130 13.730 13.244 6.438 818 1HG2 VAL 130 1HG2 VAL 130 11.593 9.553 6.774 819 2HG2 VAL 130 2HG2 VAL 130 13.351 9.638 6.749 820 3HG2 VAL 130 3HG2 VAL 130 12.470 10.228 8.164 821 H VAL 131 H VAL 131 11.078 13.399 4.391 822 HA VAL 131 HA VAL 131 11.686 16.081 5.234 823 HB VAL 131 HB VAL 131 10.555 14.948 2.643 824 1HG1 VAL 131 1HG1 VAL 131 11.621 17.762 3.173 825 2HG1 VAL 131 2HG1 VAL 131 11.227 17.080 1.577 826 3HG1 VAL 131 3HG1 VAL 131 9.949 17.338 2.759 827 1HG2 VAL 131 1HG2 VAL 131 12.893 14.244 3.236 828 2HG2 VAL 131 2HG2 VAL 131 12.850 15.280 1.814 829 3HG2 VAL 131 3HG2 VAL 131 13.348 15.945 3.389 830 H ARG 132 H ARG 132 8.562 14.360 4.701 831 HA ARG 132 HA ARG 132 7.016 16.728 4.924 832 1HB ARG 132 1HB ARG 132 6.318 14.322 4.094 833 2HB ARG 132 2HB ARG 132 6.052 13.978 5.799 834 1HG ARG 132 1HG ARG 132 3.951 14.602 5.061 835 2HG ARG 132 2HG ARG 132 4.539 16.106 5.772 836 1HD ARG 132 1HD ARG 132 5.130 16.951 3.504 837 2HD ARG 132 2HD ARG 132 4.675 15.388 2.801 838 HE ARG 132 HE ARG 132 2.490 15.860 2.955 839 1HH1 ARG 132 1HH1 ARG 132 4.150 18.449 4.661 840 2HH1 ARG 132 2HH1 ARG 132 2.739 19.052 5.464 841 1HH2 ARG 132 1HH2 ARG 132 0.638 16.672 3.792 842 2HH2 ARG 132 2HH2 ARG 132 0.612 18.030 4.880 843 H GLU 133 H GLU 133 7.923 14.369 7.354 844 HA GLU 133 HA GLU 133 6.467 15.723 9.432 845 1HB GLU 133 1HB GLU 133 7.319 14.256 10.990 846 2HB GLU 133 2HB GLU 133 7.053 13.330 9.506 847 1HG GLU 133 1HG GLU 133 9.405 13.111 9.122 848 2HG GLU 133 2HG GLU 133 9.801 14.295 10.370 849 H MET 134 H MET 134 9.811 15.903 8.375 850 HA MET 134 HA MET 134 10.176 18.391 10.024 851 1HB MET 134 1HB MET 134 12.128 16.110 9.591 852 2HB MET 134 2HB MET 134 12.623 17.718 10.136 853 1HG MET 134 1HG MET 134 11.228 17.553 12.110 854 2HG MET 134 2HG MET 134 10.629 15.969 11.616 855 1HE MET 134 1HE MET 134 12.066 13.857 11.415 856 2HE MET 134 2HE MET 134 13.459 14.541 10.544 857 3HE MET 134 3HE MET 134 13.702 13.663 12.067 858 H ILE 135 H ILE 135 9.277 19.307 8.002 859 HA ILE 135 HA ILE 135 10.465 19.381 5.547 860 HB ILE 135 HB ILE 135 9.666 21.681 5.333 861 1HG1 ILE 135 1HG1 ILE 135 8.904 21.491 8.282 862 2HG1 ILE 135 2HG1 ILE 135 10.133 22.559 7.589 863 1HG2 ILE 135 1HG2 ILE 135 8.221 19.614 5.100 864 2HG2 ILE 135 2HG2 ILE 135 7.647 19.879 6.753 865 3HG2 ILE 135 3HG2 ILE 135 7.326 21.081 5.484 866 1HD1 ILE 135 1HD1 ILE 135 8.328 23.635 6.199 867 2HD1 ILE 135 2HD1 ILE 135 7.140 22.698 7.136 868 3HD1 ILE 135 3HD1 ILE 135 8.195 23.865 7.952 869 H SER 136 H SER 136 12.409 19.575 4.826 870 HA SER 136 HA SER 136 14.478 21.243 6.020 871 1HB SER 136 1HB SER 136 14.692 18.219 5.657 872 2HB SER 136 2HB SER 136 16.006 19.302 6.142 873 HG SER 136 HG SER 136 13.615 18.658 7.542 Start of MODEL 5 1 1H MET 23 1H MET 23 2.816 26.374 -7.990 2 2H MET 23 2H MET 23 1.317 26.756 -7.407 3 3H MET 23 3H MET 23 2.604 26.664 -6.389 4 HA MET 23 HA MET 23 1.274 24.742 -6.091 5 1HB MET 23 1HB MET 23 1.555 24.629 -9.092 6 2HB MET 23 2HB MET 23 1.494 23.112 -8.196 7 1HG MET 23 1HG MET 23 -0.615 25.269 -7.933 8 2HG MET 23 2HG MET 23 -0.706 23.905 -9.031 9 1HE MET 23 1HE MET 23 -0.689 25.036 -5.232 10 2HE MET 23 2HE MET 23 -2.280 25.137 -6.027 11 3HE MET 23 3HE MET 23 -2.013 23.973 -4.715 12 H LYS 24 H LYS 24 2.647 23.680 -4.762 13 HA LYS 24 HA LYS 24 4.896 22.293 -6.080 14 1HB LYS 24 1HB LYS 24 5.557 24.320 -4.521 15 2HB LYS 24 2HB LYS 24 5.163 23.225 -3.207 16 1HG LYS 24 1HG LYS 24 7.139 22.615 -5.470 17 2HG LYS 24 2HG LYS 24 7.570 23.351 -3.931 18 1HD LYS 24 1HD LYS 24 6.588 21.286 -2.797 19 2HD LYS 24 2HD LYS 24 6.582 20.515 -4.389 20 1HE LYS 24 1HE LYS 24 9.054 21.808 -3.180 21 2HE LYS 24 2HE LYS 24 8.636 20.128 -2.858 22 1HZ LYS 24 1HZ LYS 24 8.895 21.045 -5.642 23 2HZ LYS 24 2HZ LYS 24 10.221 20.687 -4.736 24 3HZ LYS 24 3HZ LYS 24 9.086 19.536 -4.998 25 H VAL 25 H VAL 25 4.574 20.176 -5.860 26 HA VAL 25 HA VAL 25 2.263 19.137 -4.575 27 HB VAL 25 HB VAL 25 4.790 17.727 -5.543 28 1HG1 VAL 25 1HG1 VAL 25 3.355 16.260 -4.138 29 2HG1 VAL 25 2HG1 VAL 25 1.955 16.642 -5.178 30 3HG1 VAL 25 3HG1 VAL 25 3.350 15.768 -5.823 31 1HG2 VAL 25 1HG2 VAL 25 3.708 19.062 -7.383 32 2HG2 VAL 25 2HG2 VAL 25 3.572 17.329 -7.646 33 3HG2 VAL 25 3HG2 VAL 25 2.176 18.242 -7.046 34 HA PRO 26 HA PRO 26 4.050 19.041 -0.464 35 1HB PRO 26 1HB PRO 26 2.377 17.293 0.830 36 2HB PRO 26 2HB PRO 26 1.903 18.951 0.352 37 1HG PRO 26 1HG PRO 26 1.363 16.379 -1.125 38 2HG PRO 26 2HG PRO 26 0.210 17.668 -0.701 39 1HD PRO 26 1HD PRO 26 1.400 17.496 -3.155 40 2HD PRO 26 2HD PRO 26 1.062 19.079 -2.419 41 HA PRO 27 HA PRO 27 6.843 15.744 -0.726 42 1HB PRO 27 1HB PRO 27 7.626 15.138 1.822 43 2HB PRO 27 2HB PRO 27 8.000 16.682 0.999 44 1HG PRO 27 1HG PRO 27 5.770 16.123 2.961 45 2HG PRO 27 2HG PRO 27 6.901 17.505 2.919 46 1HD PRO 27 1HD PRO 27 4.379 17.653 1.884 47 2HD PRO 27 2HD PRO 27 5.743 18.523 1.146 48 H HIS 28 H HIS 28 5.551 14.237 -1.723 49 HA HIS 28 HA HIS 28 5.551 11.716 -0.474 50 1HB HIS 28 1HB HIS 28 3.282 11.045 -0.846 51 2HB HIS 28 2HB HIS 28 3.307 12.354 0.313 52 HD1 HIS 28 HD1 HIS 28 3.384 14.596 -2.285 53 HD2 HIS 28 HD2 HIS 28 0.680 11.534 -1.237 54 HE1 HIS 28 HE1 HIS 28 1.143 15.202 -3.350 55 H SER 29 H SER 29 5.553 10.126 -2.166 56 HA SER 29 HA SER 29 5.482 11.182 -4.974 57 1HB SER 29 1HB SER 29 7.382 9.138 -3.767 58 2HB SER 29 2HB SER 29 7.181 9.443 -5.503 59 HG SER 29 HG SER 29 8.569 10.943 -5.250 60 H ILE 30 H ILE 30 3.220 10.702 -4.764 61 HA ILE 30 HA ILE 30 2.150 8.392 -3.697 62 HB ILE 30 HB ILE 30 1.253 10.666 -5.240 63 1HG1 ILE 30 1HG1 ILE 30 -0.120 8.660 -3.424 64 2HG1 ILE 30 2HG1 ILE 30 0.703 10.137 -2.967 65 1HG2 ILE 30 1HG2 ILE 30 0.768 9.217 -7.148 66 2HG2 ILE 30 2HG2 ILE 30 -0.233 8.167 -6.126 67 3HG2 ILE 30 3HG2 ILE 30 -0.694 9.847 -6.439 68 1HD1 ILE 30 1HD1 ILE 30 -1.008 11.365 -4.427 69 2HD1 ILE 30 2HD1 ILE 30 -1.903 9.824 -4.463 70 3HD1 ILE 30 3HD1 ILE 30 -1.604 10.644 -2.920 71 H GLU 31 H GLU 31 3.210 8.787 -7.110 72 HA GLU 31 HA GLU 31 2.372 6.144 -7.797 73 1HB GLU 31 1HB GLU 31 4.210 8.178 -9.022 74 2HB GLU 31 2HB GLU 31 4.036 6.557 -9.711 75 1HG GLU 31 1HG GLU 31 1.697 6.805 -10.069 76 2HG GLU 31 2HG GLU 31 1.530 8.084 -8.896 77 H ALA 32 H ALA 32 5.333 7.234 -6.288 78 HA ALA 32 HA ALA 32 6.649 4.627 -6.465 79 1HB ALA 32 1HB ALA 32 7.960 6.690 -5.970 80 2HB ALA 32 2HB ALA 32 7.134 6.809 -4.394 81 3HB ALA 32 3HB ALA 32 8.164 5.420 -4.745 82 H GLU 33 H GLU 33 4.432 6.221 -4.135 83 HA GLU 33 HA GLU 33 4.331 4.085 -2.216 84 1HB GLU 33 1HB GLU 33 2.123 6.030 -2.993 85 2HB GLU 33 2HB GLU 33 2.120 5.033 -1.585 86 1HG GLU 33 1HG GLU 33 3.981 6.216 -0.627 87 2HG GLU 33 2HG GLU 33 4.212 7.169 -2.099 88 H GLN 34 H GLN 34 2.483 4.722 -5.211 89 HA GLN 34 HA GLN 34 0.823 2.450 -5.095 90 1HB GLN 34 1HB GLN 34 1.865 3.953 -7.528 91 2HB GLN 34 2HB GLN 34 0.691 2.653 -7.599 92 1HG GLN 34 1HG GLN 34 -0.749 3.984 -5.975 93 2HG GLN 34 2HG GLN 34 0.350 5.324 -6.196 94 1HE2 GLN 34 2HE2 GLN 34 -2.603 4.372 -7.145 95 2HE2 GLN 34 1HE2 GLN 34 -2.617 5.167 -8.711 96 H SER 35 H SER 35 4.066 2.955 -6.622 97 HA SER 35 HA SER 35 4.462 0.465 -7.714 98 1HB SER 35 1HB SER 35 6.564 2.257 -6.451 99 2HB SER 35 2HB SER 35 6.881 0.887 -7.507 100 HG SER 35 HG SER 35 5.087 2.589 -8.648 101 H VAL 36 H VAL 36 5.083 1.516 -4.358 102 HA VAL 36 HA VAL 36 6.228 -0.942 -3.448 103 HB VAL 36 HB VAL 36 4.737 1.236 -1.929 104 1HG1 VAL 36 1HG1 VAL 36 6.300 -1.142 -0.857 105 2HG1 VAL 36 2HG1 VAL 36 5.789 0.254 0.122 106 3HG1 VAL 36 3HG1 VAL 36 4.574 -0.810 -0.594 107 1HG2 VAL 36 1HG2 VAL 36 6.920 1.909 -2.923 108 2HG2 VAL 36 2HG2 VAL 36 6.966 1.887 -1.166 109 3HG2 VAL 36 3HG2 VAL 36 7.706 0.557 -2.095 110 H LEU 37 H LEU 37 2.853 0.216 -3.274 111 HA LEU 37 HA LEU 37 1.833 -2.139 -2.049 112 1HB LEU 37 1HB LEU 37 0.439 -0.197 -3.936 113 2HB LEU 37 2HB LEU 37 -0.384 -1.424 -2.975 114 HG LEU 37 HG LEU 37 1.275 0.852 -1.798 115 1HD1 LEU 37 1HD1 LEU 37 -1.732 0.525 -2.089 116 2HD1 LEU 37 2HD1 LEU 37 -0.903 1.790 -1.155 117 3HD1 LEU 37 3HD1 LEU 37 -0.704 1.722 -2.913 118 1HD2 LEU 37 1HD2 LEU 37 -0.530 -1.198 -0.463 119 2HD2 LEU 37 2HD2 LEU 37 1.218 -1.029 -0.257 120 3HD2 LEU 37 3HD2 LEU 37 0.142 0.243 0.327 121 H GLY 38 H GLY 38 2.020 -1.319 -5.553 122 1HA GLY 38 1HA GLY 38 0.932 -3.765 -6.499 123 2HA GLY 38 2HA GLY 38 2.008 -2.702 -7.395 124 H GLY 39 H GLY 39 4.340 -2.895 -5.556 125 1HA GLY 39 1HA GLY 39 5.466 -5.257 -6.740 126 2HA GLY 39 2HA GLY 39 6.231 -4.204 -5.581 127 H LEU 40 H LEU 40 4.046 -4.512 -3.566 128 HA LEU 40 HA LEU 40 5.004 -6.886 -2.234 129 1HB LEU 40 1HB LEU 40 2.662 -4.995 -1.760 130 2HB LEU 40 2HB LEU 40 3.001 -6.352 -0.702 131 HG LEU 40 HG LEU 40 4.959 -4.068 -1.236 132 1HD1 LEU 40 1HD1 LEU 40 3.035 -4.630 1.049 133 2HD1 LEU 40 2HD1 LEU 40 4.343 -3.450 1.138 134 3HD1 LEU 40 3HD1 LEU 40 3.038 -3.231 -0.038 135 1HD2 LEU 40 1HD2 LEU 40 5.036 -6.429 0.671 136 2HD2 LEU 40 2HD2 LEU 40 6.185 -6.058 -0.630 137 3HD2 LEU 40 3HD2 LEU 40 6.099 -5.009 0.779 138 H MET 41 H MET 41 2.137 -6.195 -4.233 139 HA MET 41 HA MET 41 0.860 -8.767 -3.743 140 1HB MET 41 1HB MET 41 0.682 -6.902 -6.158 141 2HB MET 41 2HB MET 41 -0.463 -8.173 -5.761 142 1HG MET 41 1HG MET 41 -1.465 -6.930 -4.065 143 2HG MET 41 2HG MET 41 -0.017 -5.987 -3.727 144 1HE MET 41 1HE MET 41 -2.750 -4.531 -3.776 145 2HE MET 41 2HE MET 41 -1.194 -3.675 -3.584 146 3HE MET 41 3HE MET 41 -2.387 -3.102 -4.779 147 H LEU 42 H LEU 42 3.175 -7.440 -6.055 148 HA LEU 42 HA LEU 42 3.406 -9.699 -7.755 149 1HB LEU 42 1HB LEU 42 4.838 -7.158 -7.315 150 2HB LEU 42 2HB LEU 42 5.741 -8.394 -8.158 151 HG LEU 42 HG LEU 42 2.876 -7.807 -8.995 152 1HD1 LEU 42 1HD1 LEU 42 5.358 -6.240 -9.735 153 2HD1 LEU 42 2HD1 LEU 42 3.808 -6.186 -10.624 154 3HD1 LEU 42 3HD1 LEU 42 3.867 -5.674 -8.937 155 1HD2 LEU 42 1HD2 LEU 42 5.363 -8.821 -10.454 156 2HD2 LEU 42 2HD2 LEU 42 3.959 -9.779 -9.973 157 3HD2 LEU 42 3HD2 LEU 42 3.790 -8.504 -11.203 158 H ASP 43 H ASP 43 5.131 -8.860 -4.793 159 HA ASP 43 HA ASP 43 5.888 -11.656 -4.474 160 1HB ASP 43 1HB ASP 43 7.812 -10.879 -5.726 161 2HB ASP 43 2HB ASP 43 8.102 -9.573 -4.572 162 H ASN 44 H ASN 44 4.794 -11.803 -2.674 163 HA ASN 44 HA ASN 44 4.618 -9.735 -0.698 164 1HB ASN 44 1HB ASN 44 3.427 -11.288 0.714 165 2HB ASN 44 2HB ASN 44 2.767 -11.231 -0.924 166 1HD2 ASN 44 2HD2 ASN 44 3.292 -13.028 -2.375 167 2HD2 ASN 44 1HD2 ASN 44 3.704 -14.589 -1.708 168 H GLU 45 H GLU 45 7.185 -12.041 -1.202 169 HA GLU 45 HA GLU 45 8.044 -12.198 1.584 170 1HB GLU 45 1HB GLU 45 9.627 -12.439 -0.988 171 2HB GLU 45 2HB GLU 45 10.191 -12.886 0.626 172 1HG GLU 45 1HG GLU 45 8.315 -14.572 0.741 173 2HG GLU 45 2HG GLU 45 7.961 -14.232 -0.959 174 H ARG 46 H ARG 46 8.184 -9.776 -0.968 175 HA ARG 46 HA ARG 46 10.341 -8.284 0.271 176 1HB ARG 46 1HB ARG 46 8.218 -7.451 -1.757 177 2HB ARG 46 2HB ARG 46 9.595 -6.479 -1.280 178 1HG ARG 46 1HG ARG 46 9.946 -9.264 -2.471 179 2HG ARG 46 2HG ARG 46 9.769 -7.844 -3.484 180 1HD ARG 46 1HD ARG 46 11.849 -6.914 -2.792 181 2HD ARG 46 2HD ARG 46 11.866 -7.858 -1.305 182 HE ARG 46 HE ARG 46 12.586 -9.706 -2.352 183 1HH1 ARG 46 1HH1 ARG 46 12.281 -7.124 -4.867 184 2HH1 ARG 46 2HH1 ARG 46 12.987 -8.142 -6.077 185 1HH2 ARG 46 1HH2 ARG 46 13.937 -10.733 -3.920 186 2HH2 ARG 46 2HH2 ARG 46 14.292 -9.945 -5.426 187 H TRP 47 H TRP 47 7.164 -8.877 1.355 188 HA TRP 47 HA TRP 47 6.397 -6.397 2.501 189 1HB TRP 47 1HB TRP 47 5.000 -8.409 2.721 190 2HB TRP 47 2HB TRP 47 6.238 -9.188 3.698 191 HD1 TRP 47 HD1 TRP 47 6.351 -8.630 6.225 192 HE1 TRP 47 HE1 TRP 47 5.053 -7.105 7.844 193 HE3 TRP 47 HE3 TRP 47 3.848 -5.786 2.822 194 HZ2 TRP 47 HZ2 TRP 47 3.021 -5.060 7.668 195 HZ3 TRP 47 HZ3 TRP 47 2.279 -4.008 3.562 196 HH2 TRP 47 HH2 TRP 47 1.819 -3.676 5.962 197 H ASP 48 H ASP 48 8.711 -8.872 3.690 198 HA ASP 48 HA ASP 48 9.312 -7.486 6.128 199 1HB ASP 48 1HB ASP 48 10.698 -9.570 4.338 200 2HB ASP 48 2HB ASP 48 11.464 -8.974 5.780 201 H ASP 49 H ASP 49 10.382 -7.008 3.001 202 HA ASP 49 HA ASP 49 12.812 -5.518 3.752 203 1HB ASP 49 1HB ASP 49 12.217 -6.961 1.495 204 2HB ASP 49 2HB ASP 49 11.640 -5.398 0.938 205 H VAL 50 H VAL 50 9.734 -4.859 2.236 206 HA VAL 50 HA VAL 50 9.914 -2.021 2.163 207 HB VAL 50 HB VAL 50 7.738 -4.121 2.028 208 1HG1 VAL 50 1HG1 VAL 50 7.435 -1.106 1.578 209 2HG1 VAL 50 2HG1 VAL 50 6.234 -2.334 1.123 210 3HG1 VAL 50 3HG1 VAL 50 6.621 -2.078 2.824 211 1HG2 VAL 50 1HG2 VAL 50 9.323 -4.010 0.110 212 2HG2 VAL 50 2HG2 VAL 50 7.709 -3.501 -0.386 213 3HG2 VAL 50 3HG2 VAL 50 8.974 -2.285 -0.094 214 H ALA 51 H ALA 51 8.324 -4.265 4.569 215 HA ALA 51 HA ALA 51 7.449 -2.162 6.276 216 1HB ALA 51 1HB ALA 51 6.503 -4.456 6.315 217 2HB ALA 51 2HB ALA 51 8.052 -5.081 6.931 218 3HB ALA 51 3HB ALA 51 7.088 -3.961 7.913 219 H GLU 52 H GLU 52 10.649 -3.618 5.813 220 HA GLU 52 HA GLU 52 11.592 -2.355 8.209 221 1HB GLU 52 1HB GLU 52 12.909 -4.093 6.158 222 2HB GLU 52 2HB GLU 52 13.874 -3.201 7.328 223 1HG GLU 52 1HG GLU 52 11.593 -4.992 8.233 224 2HG GLU 52 2HG GLU 52 13.218 -5.597 7.924 225 H ARG 53 H ARG 53 10.879 -1.286 5.133 226 HA ARG 53 HA ARG 53 12.782 0.987 5.332 227 1HB ARG 53 1HB ARG 53 10.956 0.142 3.070 228 2HB ARG 53 2HB ARG 53 11.900 1.625 3.060 229 1HG ARG 53 1HG ARG 53 13.083 -1.179 3.068 230 2HG ARG 53 2HG ARG 53 12.800 -0.211 1.650 231 1HD ARG 53 1HD ARG 53 15.116 -0.066 2.193 232 2HD ARG 53 2HD ARG 53 14.350 1.504 2.450 233 HE ARG 53 HE ARG 53 14.922 -0.468 4.617 234 1HH1 ARG 53 1HH1 ARG 53 15.262 2.923 3.486 235 2HH1 ARG 53 2HH1 ARG 53 15.299 3.589 5.091 236 1HH2 ARG 53 1HH2 ARG 53 14.801 0.473 6.704 237 2HH2 ARG 53 2HH2 ARG 53 14.985 2.170 6.931 238 H VAL 54 H VAL 54 9.306 0.176 5.393 239 HA VAL 54 HA VAL 54 8.784 2.955 6.270 240 HB VAL 54 HB VAL 54 6.760 2.744 4.754 241 1HG1 VAL 54 1HG1 VAL 54 8.564 4.291 4.283 242 2HG1 VAL 54 2HG1 VAL 54 9.446 3.023 3.394 243 3HG1 VAL 54 3HG1 VAL 54 7.894 3.632 2.785 244 1HG2 VAL 54 1HG2 VAL 54 6.906 0.353 4.157 245 2HG2 VAL 54 2HG2 VAL 54 6.800 1.423 2.755 246 3HG2 VAL 54 3HG2 VAL 54 8.354 0.719 3.192 247 H VAL 55 H VAL 55 6.508 3.175 6.964 248 HA VAL 55 HA VAL 55 5.124 0.761 7.906 249 HB VAL 55 HB VAL 55 4.504 2.124 9.987 250 1HG1 VAL 55 1HG1 VAL 55 5.903 0.142 10.162 251 2HG1 VAL 55 2HG1 VAL 55 7.363 1.084 9.798 252 3HG1 VAL 55 3HG1 VAL 55 6.457 1.372 11.300 253 1HG2 VAL 55 1HG2 VAL 55 5.560 4.308 9.232 254 2HG2 VAL 55 2HG2 VAL 55 6.055 3.773 10.849 255 3HG2 VAL 55 3HG2 VAL 55 7.147 3.568 9.470 256 H ALA 56 H ALA 56 2.787 1.314 8.185 257 HA ALA 56 HA ALA 56 1.751 2.940 6.122 258 1HB ALA 56 1HB ALA 56 0.444 1.137 7.231 259 2HB ALA 56 2HB ALA 56 0.390 2.089 8.728 260 3HB ALA 56 3HB ALA 56 -0.437 2.675 7.268 261 H ASP 57 H ASP 57 2.887 3.847 9.278 262 HA ASP 57 HA ASP 57 1.559 6.363 9.541 263 1HB ASP 57 1HB ASP 57 3.925 5.001 10.774 264 2HB ASP 57 2HB ASP 57 3.948 6.763 10.818 265 H ASP 58 H ASP 58 4.273 5.372 7.519 266 HA ASP 58 HA ASP 58 5.242 8.044 6.973 267 1HB ASP 58 1HB ASP 58 5.593 5.346 5.567 268 2HB ASP 58 2HB ASP 58 6.334 6.820 5.044 269 H PHE 59 H PHE 59 2.889 5.784 5.665 270 HA PHE 59 HA PHE 59 2.587 6.984 3.073 271 1HB PHE 59 1HB PHE 59 1.165 4.862 4.671 272 2HB PHE 59 2HB PHE 59 0.341 5.550 3.292 273 HD1 PHE 59 HD1 PHE 59 3.805 4.264 4.106 274 HD2 PHE 59 HD2 PHE 59 0.520 4.304 1.327 275 HE1 PHE 59 HE1 PHE 59 5.072 2.799 2.587 276 HE2 PHE 59 HE2 PHE 59 1.782 2.780 -0.186 277 HZ PHE 59 HZ PHE 59 4.075 2.025 0.454 278 H TYR 60 H TYR 60 1.711 8.891 2.679 279 HA TYR 60 HA TYR 60 0.104 10.363 4.644 280 1HB TYR 60 1HB TYR 60 1.734 11.554 3.320 281 2HB TYR 60 2HB TYR 60 1.136 10.861 1.822 282 HD1 TYR 60 HD1 TYR 60 0.420 13.352 4.476 283 HD2 TYR 60 HD2 TYR 60 -0.765 11.802 0.623 284 HE1 TYR 60 HE1 TYR 60 -0.893 15.406 4.068 285 HE2 TYR 60 HE2 TYR 60 -2.062 13.858 0.199 286 HH TYR 60 HH TYR 60 -2.298 16.539 2.605 287 H THR 61 H THR 61 -0.401 8.683 1.537 288 HA THR 61 HA THR 61 -2.893 9.853 0.883 289 HB THR 61 HB THR 61 -1.639 7.566 -0.260 290 HG1 THR 61 HG1 THR 61 -0.034 8.760 -0.946 291 1HG2 THR 61 1HG2 THR 61 -3.834 8.153 -1.177 292 2HG2 THR 61 2HG2 THR 61 -3.261 9.805 -1.483 293 3HG2 THR 61 3HG2 THR 61 -2.569 8.426 -2.376 294 H ARG 62 H ARG 62 -4.808 9.334 1.932 295 HA ARG 62 HA ARG 62 -5.170 7.237 3.656 296 1HB ARG 62 1HB ARG 62 -6.891 9.247 2.495 297 2HB ARG 62 2HB ARG 62 -7.761 7.709 2.517 298 1HG ARG 62 1HG ARG 62 -7.216 7.414 4.925 299 2HG ARG 62 2HG ARG 62 -6.301 8.931 4.887 300 1HD ARG 62 1HD ARG 62 -8.407 9.411 5.891 301 2HD ARG 62 2HD ARG 62 -8.375 10.162 4.305 302 HE ARG 62 HE ARG 62 -10.062 8.802 3.558 303 1HH1 ARG 62 1HH1 ARG 62 -9.005 7.530 6.696 304 2HH1 ARG 62 2HH1 ARG 62 -10.439 6.651 7.014 305 1HH2 ARG 62 1HH2 ARG 62 -12.045 7.750 3.981 306 2HH2 ARG 62 2HH2 ARG 62 -12.325 6.945 5.463 307 HA PRO 63 HA PRO 63 -7.125 4.206 0.549 308 1HB PRO 63 1HB PRO 63 -6.432 4.381 -2.131 309 2HB PRO 63 2HB PRO 63 -7.916 5.093 -1.426 310 1HG PRO 63 1HG PRO 63 -5.252 6.460 -1.918 311 2HG PRO 63 2HG PRO 63 -6.878 7.037 -2.377 312 1HD PRO 63 1HD PRO 63 -5.767 7.980 -0.150 313 2HD PRO 63 2HD PRO 63 -7.473 7.469 -0.100 314 H HIS 64 H HIS 64 -3.833 5.538 -0.189 315 HA HIS 64 HA HIS 64 -2.753 2.911 -0.718 316 1HB HIS 64 1HB HIS 64 -1.321 5.442 0.166 317 2HB HIS 64 2HB HIS 64 -0.578 3.980 -0.470 318 HD1 HIS 64 HD1 HIS 64 0.241 6.411 -1.977 319 HD2 HIS 64 HD2 HIS 64 -3.237 4.171 -2.862 320 HE1 HIS 64 HE1 HIS 64 -0.262 6.737 -4.495 321 H ARG 65 H ARG 65 -3.134 4.949 2.207 322 HA ARG 65 HA ARG 65 -1.665 3.245 3.986 323 1HB ARG 65 1HB ARG 65 -3.778 5.397 4.383 324 2HB ARG 65 2HB ARG 65 -3.459 4.245 5.676 325 1HG ARG 65 1HG ARG 65 -0.966 4.817 5.339 326 2HG ARG 65 2HG ARG 65 -1.571 6.261 4.500 327 1HD ARG 65 1HD ARG 65 -2.250 5.382 7.359 328 2HD ARG 65 2HD ARG 65 -1.031 6.560 6.939 329 HE ARG 65 HE ARG 65 -2.591 8.148 6.387 330 1HH1 ARG 65 1HH1 ARG 65 -4.272 5.134 7.400 331 2HH1 ARG 65 2HH1 ARG 65 -5.729 5.952 7.778 332 1HH2 ARG 65 1HH2 ARG 65 -4.469 9.181 7.130 333 2HH2 ARG 65 2HH2 ARG 65 -5.915 8.271 7.486 334 H HIS 66 H HIS 66 -5.227 3.408 3.275 335 HA HIS 66 HA HIS 66 -6.095 1.320 4.789 336 1HB HIS 66 1HB HIS 66 -6.755 2.286 1.973 337 2HB HIS 66 2HB HIS 66 -7.587 0.896 2.666 338 HD1 HIS 66 HD1 HIS 66 -8.338 4.462 2.369 339 HD2 HIS 66 HD2 HIS 66 -8.569 1.317 5.108 340 HE1 HIS 66 HE1 HIS 66 -10.025 5.204 4.089 341 H ILE 67 H ILE 67 -4.738 0.970 1.481 342 HA ILE 67 HA ILE 67 -4.945 -1.847 1.434 343 HB ILE 67 HB ILE 67 -3.043 0.007 -0.055 344 1HG1 ILE 67 1HG1 ILE 67 -5.706 -1.206 -0.959 345 2HG1 ILE 67 2HG1 ILE 67 -5.589 0.398 -0.292 346 1HG2 ILE 67 1HG2 ILE 67 -2.397 -2.469 -0.100 347 2HG2 ILE 67 2HG2 ILE 67 -3.969 -2.791 -0.852 348 3HG2 ILE 67 3HG2 ILE 67 -2.762 -1.790 -1.684 349 1HD1 ILE 67 1HD1 ILE 67 -4.086 1.124 -2.083 350 2HD1 ILE 67 2HD1 ILE 67 -4.199 -0.502 -2.799 351 3HD1 ILE 67 3HD1 ILE 67 -5.636 0.522 -2.706 352 H PHE 68 H PHE 68 -2.046 0.210 2.274 353 HA PHE 68 HA PHE 68 -0.408 -1.992 2.950 354 1HB PHE 68 1HB PHE 68 0.169 0.542 2.661 355 2HB PHE 68 2HB PHE 68 -0.210 0.678 4.371 356 HD1 PHE 68 HD1 PHE 68 1.211 -0.651 6.068 357 HD2 PHE 68 HD2 PHE 68 2.156 -0.541 1.854 358 HE1 PHE 68 HE1 PHE 68 3.456 -1.555 6.542 359 HE2 PHE 68 HE2 PHE 68 4.387 -1.460 2.339 360 HZ PHE 68 HZ PHE 68 5.042 -2.010 4.693 361 H THR 69 H THR 69 -2.901 -0.329 4.879 362 HA THR 69 HA THR 69 -2.093 -1.506 7.389 363 HB THR 69 HB THR 69 -4.807 -0.353 6.617 364 HG1 THR 69 HG1 THR 69 -3.068 1.057 6.216 365 1HG2 THR 69 1HG2 THR 69 -3.365 -0.653 9.294 366 2HG2 THR 69 2HG2 THR 69 -4.894 0.209 9.047 367 3HG2 THR 69 3HG2 THR 69 -4.817 -1.542 8.784 368 H GLU 70 H GLU 70 -4.543 -2.459 4.837 369 HA GLU 70 HA GLU 70 -5.272 -4.736 6.426 370 1HB GLU 70 1HB GLU 70 -6.722 -3.678 4.668 371 2HB GLU 70 2HB GLU 70 -5.715 -4.468 3.458 372 1HG GLU 70 1HG GLU 70 -7.683 -5.853 3.919 373 2HG GLU 70 2HG GLU 70 -6.266 -6.700 4.476 374 H MET 71 H MET 71 -2.691 -4.145 4.068 375 HA MET 71 HA MET 71 -1.846 -6.872 3.774 376 1HB MET 71 1HB MET 71 -0.209 -4.305 3.793 377 2HB MET 71 2HB MET 71 0.416 -5.882 3.360 378 1HG MET 71 1HG MET 71 -0.975 -6.005 1.405 379 2HG MET 71 2HG MET 71 -1.886 -4.589 1.870 380 1HE MET 71 1HE MET 71 0.075 -5.605 -0.798 381 2HE MET 71 2HE MET 71 -1.072 -4.260 -1.019 382 3HE MET 71 3HE MET 71 0.638 -4.026 -1.384 383 H ALA 72 H ALA 72 -0.839 -4.329 6.163 384 HA ALA 72 HA ALA 72 0.671 -6.074 7.811 385 1HB ALA 72 1HB ALA 72 0.703 -3.556 7.919 386 2HB ALA 72 2HB ALA 72 -0.892 -3.602 8.694 387 3HB ALA 72 3HB ALA 72 0.516 -4.331 9.494 388 H ARG 73 H ARG 73 -2.799 -5.349 7.811 389 HA ARG 73 HA ARG 73 -3.548 -6.708 10.189 390 1HB ARG 73 1HB ARG 73 -4.847 -5.138 8.461 391 2HB ARG 73 2HB ARG 73 -5.278 -6.647 7.692 392 1HG ARG 73 1HG ARG 73 -7.086 -6.460 8.943 393 2HG ARG 73 2HG ARG 73 -6.116 -7.151 10.245 394 1HD ARG 73 1HD ARG 73 -6.358 -4.150 9.687 395 2HD ARG 73 2HD ARG 73 -7.499 -5.001 10.706 396 HE ARG 73 HE ARG 73 -4.737 -4.298 11.351 397 1HH1 ARG 73 1HH1 ARG 73 -7.471 -6.457 12.246 398 2HH1 ARG 73 2HH1 ARG 73 -6.867 -6.633 13.878 399 1HH2 ARG 73 1HH2 ARG 73 -4.043 -4.619 13.448 400 2HH2 ARG 73 2HH2 ARG 73 -4.948 -5.598 14.570 401 H LEU 74 H LEU 74 -3.514 -7.943 6.756 402 HA LEU 74 HA LEU 74 -4.195 -10.576 7.383 403 1HB LEU 74 1HB LEU 74 -2.807 -9.121 5.125 404 2HB LEU 74 2HB LEU 74 -2.742 -10.869 5.133 405 HG LEU 74 HG LEU 74 -5.357 -9.371 5.414 406 1HD1 LEU 74 1HD1 LEU 74 -3.967 -10.343 2.881 407 2HD1 LEU 74 2HD1 LEU 74 -5.660 -9.845 2.978 408 3HD1 LEU 74 3HD1 LEU 74 -4.373 -8.668 3.319 409 1HD2 LEU 74 1HD2 LEU 74 -4.671 -12.220 4.505 410 2HD2 LEU 74 2HD2 LEU 74 -5.404 -11.787 6.066 411 3HD2 LEU 74 3HD2 LEU 74 -6.307 -11.538 4.576 412 H GLN 75 H GLN 75 -0.951 -9.062 7.047 413 HA GLN 75 HA GLN 75 0.466 -11.437 7.518 414 1HB GLN 75 1HB GLN 75 1.168 -9.003 6.737 415 2HB GLN 75 2HB GLN 75 1.457 -8.715 8.432 416 1HG GLN 75 1HG GLN 75 3.544 -9.402 7.370 417 2HG GLN 75 2HG GLN 75 3.021 -10.646 8.495 418 1HE2 GLN 75 2HE2 GLN 75 3.293 -9.876 4.990 419 2HE2 GLN 75 1HE2 GLN 75 3.177 -11.563 4.479 420 H GLU 76 H GLU 76 -0.775 -9.002 9.807 421 HA GLU 76 HA GLU 76 0.201 -10.189 12.198 422 1HB GLU 76 1HB GLU 76 -0.829 -7.956 12.099 423 2HB GLU 76 2HB GLU 76 -2.402 -8.682 11.780 424 1HG GLU 76 1HG GLU 76 -2.137 -9.883 14.052 425 2HG GLU 76 2HG GLU 76 -0.750 -8.824 14.326 426 H SER 77 H SER 77 -2.659 -11.071 10.247 427 HA SER 77 HA SER 77 -3.383 -13.200 12.168 428 1HB SER 77 1HB SER 77 -5.066 -13.783 10.342 429 2HB SER 77 2HB SER 77 -5.251 -12.244 11.184 430 HG SER 77 HG SER 77 -3.722 -12.171 8.867 431 H GLY 78 H GLY 78 -0.870 -12.943 9.989 432 1HA GLY 78 1HA GLY 78 0.673 -14.522 9.451 433 2HA GLY 78 2HA GLY 78 -0.364 -15.790 10.125 434 H SER 79 H SER 79 -1.479 -13.481 7.662 435 HA SER 79 HA SER 79 -1.725 -15.732 5.728 436 1HB SER 79 1HB SER 79 -3.672 -13.494 6.352 437 2HB SER 79 2HB SER 79 -3.891 -14.746 5.105 438 HG SER 79 HG SER 79 -4.911 -15.250 7.168 439 HA PRO 80 HA PRO 80 0.616 -13.204 3.087 440 1HB PRO 80 1HB PRO 80 -0.412 -13.814 0.543 441 2HB PRO 80 2HB PRO 80 0.774 -14.769 1.440 442 1HG PRO 80 1HG PRO 80 -2.223 -15.133 1.242 443 2HG PRO 80 2HG PRO 80 -0.946 -16.389 1.240 444 1HD PRO 80 1HD PRO 80 -2.430 -15.847 3.457 445 2HD PRO 80 2HD PRO 80 -0.698 -16.287 3.564 446 H ILE 81 H ILE 81 0.633 -11.351 1.985 447 HA ILE 81 HA ILE 81 -1.810 -9.749 1.904 448 HB ILE 81 HB ILE 81 -0.236 -7.904 1.721 449 1HG1 ILE 81 1HG1 ILE 81 2.011 -9.953 1.664 450 2HG1 ILE 81 2HG1 ILE 81 1.446 -9.085 0.230 451 1HG2 ILE 81 1HG2 ILE 81 -0.718 -9.013 3.948 452 2HG2 ILE 81 2HG2 ILE 81 0.816 -9.875 3.813 453 3HG2 ILE 81 3HG2 ILE 81 0.804 -8.113 3.912 454 1HD1 ILE 81 1HD1 ILE 81 2.003 -6.930 1.377 455 2HD1 ILE 81 2HD1 ILE 81 2.730 -7.895 2.687 456 3HD1 ILE 81 3HD1 ILE 81 3.393 -7.993 1.046 457 H ASP 82 H ASP 82 -1.116 -11.903 -0.070 458 HA ASP 82 HA ASP 82 -0.481 -10.694 -2.604 459 1HB ASP 82 1HB ASP 82 -0.570 -13.244 -1.786 460 2HB ASP 82 2HB ASP 82 -2.187 -13.181 -2.492 461 H LEU 83 H LEU 83 -1.955 -10.427 -4.437 462 HA LEU 83 HA LEU 83 -3.689 -8.371 -3.997 463 1HB LEU 83 1HB LEU 83 -2.680 -9.276 -6.201 464 2HB LEU 83 2HB LEU 83 -4.057 -10.336 -6.290 465 HG LEU 83 HG LEU 83 -4.449 -8.502 -7.725 466 1HD1 LEU 83 1HD1 LEU 83 -6.493 -9.077 -6.392 467 2HD1 LEU 83 2HD1 LEU 83 -6.164 -7.637 -5.398 468 3HD1 LEU 83 3HD1 LEU 83 -6.451 -7.467 -7.132 469 1HD2 LEU 83 1HD2 LEU 83 -2.803 -7.009 -6.611 470 2HD2 LEU 83 2HD2 LEU 83 -4.295 -6.180 -7.067 471 3HD2 LEU 83 3HD2 LEU 83 -3.994 -6.612 -5.368 472 H ILE 84 H ILE 84 -4.830 -11.762 -4.712 473 HA ILE 84 HA ILE 84 -7.505 -11.054 -4.563 474 HB ILE 84 HB ILE 84 -6.325 -13.782 -4.046 475 1HG1 ILE 84 1HG1 ILE 84 -4.884 -13.028 -5.823 476 2HG1 ILE 84 2HG1 ILE 84 -5.954 -14.259 -6.356 477 1HG2 ILE 84 1HG2 ILE 84 -8.780 -13.594 -4.075 478 2HG2 ILE 84 2HG2 ILE 84 -8.736 -12.828 -5.670 479 3HG2 ILE 84 3HG2 ILE 84 -8.229 -14.516 -5.493 480 1HD1 ILE 84 1HD1 ILE 84 -6.297 -11.295 -6.947 481 2HD1 ILE 84 2HD1 ILE 84 -5.675 -12.520 -8.061 482 3HD1 ILE 84 3HD1 ILE 84 -7.366 -12.587 -7.543 483 H THR 85 H THR 85 -5.273 -12.429 -2.139 484 HA THR 85 HA THR 85 -7.132 -12.927 -0.127 485 HB THR 85 HB THR 85 -4.258 -12.139 0.394 486 HG1 THR 85 HG1 THR 85 -3.611 -14.119 -0.226 487 1HG2 THR 85 1HG2 THR 85 -5.694 -12.780 2.321 488 2HG2 THR 85 2HG2 THR 85 -6.057 -14.332 1.540 489 3HG2 THR 85 3HG2 THR 85 -4.400 -13.959 2.067 490 H LEU 86 H LEU 86 -5.094 -10.181 -0.840 491 HA LEU 86 HA LEU 86 -5.703 -8.495 1.346 492 1HB LEU 86 1HB LEU 86 -3.797 -8.333 -0.259 493 2HB LEU 86 2HB LEU 86 -4.891 -7.777 -1.500 494 HG LEU 86 HG LEU 86 -5.424 -5.748 -0.231 495 1HD1 LEU 86 1HD1 LEU 86 -3.469 -6.820 1.856 496 2HD1 LEU 86 2HD1 LEU 86 -4.109 -5.159 1.801 497 3HD1 LEU 86 3HD1 LEU 86 -5.204 -6.503 2.093 498 1HD2 LEU 86 1HD2 LEU 86 -2.464 -6.391 -0.558 499 2HD2 LEU 86 2HD2 LEU 86 -3.554 -5.698 -1.774 500 3HD2 LEU 86 3HD2 LEU 86 -3.117 -4.764 -0.325 501 H ALA 87 H ALA 87 -7.019 -8.628 -1.902 502 HA ALA 87 HA ALA 87 -8.913 -6.527 -1.664 503 1HB ALA 87 1HB ALA 87 -8.281 -7.630 -3.831 504 2HB ALA 87 2HB ALA 87 -9.196 -9.066 -3.339 505 3HB ALA 87 3HB ALA 87 -10.034 -7.514 -3.577 506 H GLU 88 H GLU 88 -9.363 -10.076 -1.157 507 HA GLU 88 HA GLU 88 -12.063 -9.779 -0.272 508 1HB GLU 88 1HB GLU 88 -10.029 -12.008 0.047 509 2HB GLU 88 2HB GLU 88 -11.684 -12.112 0.673 510 1HG GLU 88 1HG GLU 88 -12.544 -11.618 -1.643 511 2HG GLU 88 2HG GLU 88 -10.890 -11.731 -2.250 512 H SER 89 H SER 89 -8.985 -9.602 1.530 513 HA SER 89 HA SER 89 -10.308 -9.723 4.073 514 1HB SER 89 1HB SER 89 -7.871 -10.250 3.534 515 2HB SER 89 2HB SER 89 -7.577 -8.504 3.647 516 HG SER 89 HG SER 89 -8.069 -8.563 5.776 517 H LEU 90 H LEU 90 -9.269 -7.063 1.940 518 HA LEU 90 HA LEU 90 -10.122 -4.920 3.646 519 1HB LEU 90 1HB LEU 90 -9.832 -5.231 0.647 520 2HB LEU 90 2HB LEU 90 -10.591 -3.804 1.335 521 HG LEU 90 HG LEU 90 -7.817 -4.624 2.175 522 1HD1 LEU 90 1HD1 LEU 90 -8.621 -2.824 -0.122 523 2HD1 LEU 90 2HD1 LEU 90 -6.973 -2.985 0.545 524 3HD1 LEU 90 3HD1 LEU 90 -7.756 -4.379 -0.206 525 1HD2 LEU 90 1HD2 LEU 90 -9.291 -1.931 2.234 526 2HD2 LEU 90 2HD2 LEU 90 -8.984 -2.962 3.647 527 3HD2 LEU 90 3HD2 LEU 90 -7.633 -2.221 2.795 528 H GLU 91 H GLU 91 -11.966 -7.007 1.256 529 HA GLU 91 HA GLU 91 -14.421 -5.742 1.756 530 1HB GLU 91 1HB GLU 91 -13.454 -7.740 0.040 531 2HB GLU 91 2HB GLU 91 -14.509 -8.655 1.134 532 1HG GLU 91 1HG GLU 91 -16.224 -6.797 0.777 533 2HG GLU 91 2HG GLU 91 -15.148 -6.163 -0.471 534 H ARG 92 H ARG 92 -12.819 -8.400 3.466 535 HA ARG 92 HA ARG 92 -14.977 -9.084 5.199 536 1HB ARG 92 1HB ARG 92 -11.958 -9.242 5.580 537 2HB ARG 92 2HB ARG 92 -13.076 -9.920 6.713 538 1HG ARG 92 1HG ARG 92 -13.487 -10.715 3.832 539 2HG ARG 92 2HG ARG 92 -11.991 -11.269 4.565 540 1HD ARG 92 1HD ARG 92 -14.074 -12.797 4.544 541 2HD ARG 92 2HD ARG 92 -13.077 -12.735 5.981 542 HE ARG 92 HE ARG 92 -15.758 -11.497 5.588 543 1HH1 ARG 92 1HH1 ARG 92 -13.128 -12.393 7.841 544 2HH1 ARG 92 2HH1 ARG 92 -14.066 -12.135 9.259 545 1HH2 ARG 92 1HH2 ARG 92 -16.800 -10.651 7.489 546 2HH2 ARG 92 2HH2 ARG 92 -16.120 -10.967 9.037 547 H GLN 93 H GLN 93 -12.424 -6.615 5.492 548 HA GLN 93 HA GLN 93 -13.696 -5.416 7.851 549 1HB GLN 93 1HB GLN 93 -11.399 -4.445 6.099 550 2HB GLN 93 2HB GLN 93 -11.985 -3.651 7.561 551 1HG GLN 93 1HG GLN 93 -11.586 -6.279 8.415 552 2HG GLN 93 2HG GLN 93 -10.249 -6.020 7.303 553 1HE2 GLN 93 2HE2 GLN 93 -8.843 -4.070 7.795 554 2HE2 GLN 93 1HE2 GLN 93 -8.855 -3.294 9.378 555 H GLY 94 H GLY 94 -14.658 -5.354 4.588 556 1HA GLY 94 1HA GLY 94 -16.080 -4.032 3.429 557 2HA GLY 94 2HA GLY 94 -16.612 -3.369 4.971 558 H GLN 95 H GLN 95 -13.368 -3.198 3.608 559 HA GLN 95 HA GLN 95 -13.572 -0.265 3.151 560 1HB GLN 95 1HB GLN 95 -11.364 -1.916 4.432 561 2HB GLN 95 2HB GLN 95 -11.096 -0.279 3.819 562 1HG GLN 95 1HG GLN 95 -12.677 0.681 5.351 563 2HG GLN 95 2HG GLN 95 -13.268 -0.898 5.858 564 1HE2 GLN 95 2HE2 GLN 95 -12.649 -1.205 8.021 565 2HE2 GLN 95 1HE2 GLN 95 -11.003 -0.942 8.568 566 H LEU 96 H LEU 96 -13.580 -3.055 1.477 567 HA LEU 96 HA LEU 96 -11.371 -2.820 -0.359 568 1HB LEU 96 1HB LEU 96 -12.671 -4.866 -0.168 569 2HB LEU 96 2HB LEU 96 -14.108 -4.035 -0.783 570 HG LEU 96 HG LEU 96 -12.990 -3.656 -2.947 571 1HD1 LEU 96 1HD1 LEU 96 -10.600 -5.017 -1.642 572 2HD1 LEU 96 2HD1 LEU 96 -10.781 -4.845 -3.396 573 3HD1 LEU 96 3HD1 LEU 96 -10.642 -3.406 -2.390 574 1HD2 LEU 96 1HD2 LEU 96 -14.219 -5.733 -2.598 575 2HD2 LEU 96 2HD2 LEU 96 -12.842 -5.987 -3.683 576 3HD2 LEU 96 3HD2 LEU 96 -12.745 -6.519 -1.990 577 H ASP 97 H ASP 97 -14.754 -1.594 -0.465 578 HA ASP 97 HA ASP 97 -14.259 -0.368 -3.042 579 1HB ASP 97 1HB ASP 97 -16.516 -1.033 -1.820 580 2HB ASP 97 2HB ASP 97 -16.466 0.646 -1.292 581 H SER 98 H SER 98 -13.725 0.677 0.297 582 HA SER 98 HA SER 98 -13.535 3.460 -0.039 583 1HB SER 98 1HB SER 98 -11.797 1.710 1.755 584 2HB SER 98 2HB SER 98 -12.202 3.398 1.972 585 HG SER 98 HG SER 98 -14.419 2.757 2.134 586 H VAL 99 H VAL 99 -11.141 0.866 -0.789 587 HA VAL 99 HA VAL 99 -9.100 2.899 -1.299 588 HB VAL 99 HB VAL 99 -7.595 1.163 -1.701 589 1HG1 VAL 99 1HG1 VAL 99 -8.375 1.660 0.619 590 2HG1 VAL 99 2HG1 VAL 99 -9.404 0.231 0.571 591 3HG1 VAL 99 3HG1 VAL 99 -7.662 0.034 0.446 592 1HG2 VAL 99 1HG2 VAL 99 -9.084 -0.421 -3.051 593 2HG2 VAL 99 2HG2 VAL 99 -7.999 -1.166 -1.876 594 3HG2 VAL 99 3HG2 VAL 99 -9.706 -0.997 -1.484 595 H GLY 100 H GLY 100 -11.754 1.948 -3.079 596 1HA GLY 100 1HA GLY 100 -12.102 2.863 -5.267 597 2HA GLY 100 2HA GLY 100 -10.429 2.522 -5.689 598 H GLY 101 H GLY 101 -11.703 -0.070 -3.803 599 1HA GLY 101 1HA GLY 101 -12.971 -1.925 -4.317 600 2HA GLY 101 2HA GLY 101 -13.074 -1.416 -6.005 601 H PHE 102 H PHE 102 -12.625 -3.906 -5.928 602 HA PHE 102 HA PHE 102 -9.931 -4.897 -5.725 603 1HB PHE 102 1HB PHE 102 -12.081 -6.266 -5.943 604 2HB PHE 102 2HB PHE 102 -12.129 -5.803 -7.633 605 HD1 PHE 102 HD1 PHE 102 -9.825 -6.358 -9.017 606 HD2 PHE 102 HD2 PHE 102 -11.113 -8.316 -5.387 607 HE1 PHE 102 HE1 PHE 102 -8.253 -8.206 -9.451 608 HE2 PHE 102 HE2 PHE 102 -9.573 -10.195 -5.871 609 HZ PHE 102 HZ PHE 102 -8.100 -10.116 -7.889 610 H ALA 103 H ALA 103 -11.812 -3.132 -8.190 611 HA ALA 103 HA ALA 103 -10.057 -3.380 -10.359 612 1HB ALA 103 1HB ALA 103 -12.327 -2.376 -10.494 613 2HB ALA 103 2HB ALA 103 -11.776 -0.979 -9.537 614 3HB ALA 103 3HB ALA 103 -11.109 -1.269 -11.152 615 H TYR 104 H TYR 104 -9.919 -0.918 -7.700 616 HA TYR 104 HA TYR 104 -7.664 0.430 -8.829 617 1HB TYR 104 1HB TYR 104 -9.245 1.322 -7.119 618 2HB TYR 104 2HB TYR 104 -8.493 0.285 -5.906 619 HD1 TYR 104 HD1 TYR 104 -8.039 3.172 -8.183 620 HD2 TYR 104 HD2 TYR 104 -6.314 0.902 -4.958 621 HE1 TYR 104 HE1 TYR 104 -6.328 4.936 -7.878 622 HE2 TYR 104 HE2 TYR 104 -4.632 2.705 -4.596 623 HH TYR 104 HH TYR 104 -4.497 5.647 -6.624 624 H LEU 105 H LEU 105 -7.941 -2.291 -6.533 625 HA LEU 105 HA LEU 105 -5.128 -2.552 -6.003 626 1HB LEU 105 1HB LEU 105 -7.290 -4.698 -6.053 627 2HB LEU 105 2HB LEU 105 -5.670 -4.913 -5.422 628 HG LEU 105 HG LEU 105 -7.652 -2.889 -4.300 629 1HD1 LEU 105 1HD1 LEU 105 -8.424 -5.226 -4.025 630 2HD1 LEU 105 2HD1 LEU 105 -6.884 -5.641 -3.241 631 3HD1 LEU 105 3HD1 LEU 105 -7.997 -4.472 -2.488 632 1HD2 LEU 105 1HD2 LEU 105 -4.988 -3.951 -3.248 633 2HD2 LEU 105 2HD2 LEU 105 -5.329 -2.291 -3.787 634 3HD2 LEU 105 3HD2 LEU 105 -6.116 -2.931 -2.338 635 H ALA 106 H ALA 106 -7.220 -3.989 -8.580 636 HA ALA 106 HA ALA 106 -5.162 -5.602 -9.671 637 1HB ALA 106 1HB ALA 106 -7.560 -5.943 -10.132 638 2HB ALA 106 2HB ALA 106 -7.627 -4.403 -11.022 639 3HB ALA 106 3HB ALA 106 -6.651 -5.749 -11.644 640 H GLU 107 H GLU 107 -6.017 -2.203 -10.128 641 HA GLU 107 HA GLU 107 -4.352 -1.649 -12.419 642 1HB GLU 107 1HB GLU 107 -6.314 -0.253 -11.146 643 2HB GLU 107 2HB GLU 107 -4.926 0.457 -10.346 644 1HG GLU 107 1HG GLU 107 -5.291 1.878 -12.144 645 2HG GLU 107 2HG GLU 107 -3.988 0.855 -12.746 646 H LEU 108 H LEU 108 -3.918 -1.058 -8.902 647 HA LEU 108 HA LEU 108 -1.268 -0.195 -8.902 648 1HB LEU 108 1HB LEU 108 -2.754 -1.920 -6.884 649 2HB LEU 108 2HB LEU 108 -1.142 -1.295 -6.586 650 HG LEU 108 HG LEU 108 -3.547 0.499 -7.131 651 1HD1 LEU 108 1HD1 LEU 108 -2.245 -0.460 -4.542 652 2HD1 LEU 108 2HD1 LEU 108 -3.423 0.860 -4.652 653 3HD1 LEU 108 3HD1 LEU 108 -3.904 -0.781 -5.105 654 1HD2 LEU 108 1HD2 LEU 108 -0.768 1.058 -6.007 655 2HD2 LEU 108 2HD2 LEU 108 -1.385 1.583 -7.585 656 3HD2 LEU 108 3HD2 LEU 108 -2.118 2.223 -6.106 657 H SER 109 H SER 109 -2.430 -3.553 -8.648 658 HA SER 109 HA SER 109 0.018 -4.801 -8.230 659 1HB SER 109 1HB SER 109 -2.459 -5.658 -8.293 660 2HB SER 109 2HB SER 109 -2.104 -6.103 -9.961 661 HG SER 109 HG SER 109 -0.616 -7.564 -9.245 662 H LYS 110 H LYS 110 -1.566 -3.813 -11.300 663 HA LYS 110 HA LYS 110 0.448 -5.102 -12.946 664 1HB LYS 110 1HB LYS 110 -1.942 -4.747 -13.618 665 2HB LYS 110 2HB LYS 110 -1.619 -3.006 -13.731 666 1HG LYS 110 1HG LYS 110 0.017 -3.383 -15.496 667 2HG LYS 110 2HG LYS 110 -0.116 -5.122 -15.323 668 1HD LYS 110 1HD LYS 110 -2.303 -3.251 -16.294 669 2HD LYS 110 2HD LYS 110 -1.304 -4.249 -17.330 670 1HE LYS 110 1HE LYS 110 -3.096 -5.412 -15.157 671 2HE LYS 110 2HE LYS 110 -3.672 -5.075 -16.789 672 1HZ LYS 110 1HZ LYS 110 -1.352 -6.840 -16.313 673 2HZ LYS 110 2HZ LYS 110 -2.914 -7.373 -16.404 674 3HZ LYS 110 3HZ LYS 110 -2.251 -6.642 -17.697 675 H ASN 111 H ASN 111 0.015 -1.979 -11.575 676 HA ASN 111 HA ASN 111 1.919 -0.695 -13.347 677 1HB ASN 111 1HB ASN 111 0.383 0.348 -10.931 678 2HB ASN 111 2HB ASN 111 1.436 1.358 -11.917 679 1HD2 ASN 111 2HD2 ASN 111 -1.546 1.514 -11.457 680 2HD2 ASN 111 1HD2 ASN 111 -2.222 1.457 -13.064 681 H THR 112 H THR 112 2.972 -2.797 -11.580 682 HA THR 112 HA THR 112 5.310 -1.172 -10.744 683 HB THR 112 HB THR 112 4.438 -3.617 -9.190 684 HG1 THR 112 HG1 THR 112 4.445 -1.748 -7.561 685 1HG2 THR 112 1HG2 THR 112 6.914 -3.277 -9.270 686 2HG2 THR 112 2HG2 THR 112 6.689 -1.599 -8.725 687 3HG2 THR 112 3HG2 THR 112 6.272 -2.951 -7.661 688 HA PRO 113 HA PRO 113 6.977 -4.082 -13.711 689 1HB PRO 113 1HB PRO 113 9.578 -3.205 -13.796 690 2HB PRO 113 2HB PRO 113 8.210 -2.313 -14.514 691 1HG PRO 113 1HG PRO 113 9.534 -1.865 -11.827 692 2HG PRO 113 2HG PRO 113 9.117 -0.649 -13.077 693 1HD PRO 113 1HD PRO 113 7.531 -1.176 -10.909 694 2HD PRO 113 2HD PRO 113 6.847 -0.703 -12.490 695 H SER 114 H SER 114 6.501 -5.803 -12.146 696 HA SER 114 HA SER 114 7.017 -7.491 -10.645 697 1HB SER 114 1HB SER 114 9.109 -7.542 -12.811 698 2HB SER 114 2HB SER 114 9.058 -8.800 -11.562 699 HG SER 114 HG SER 114 7.160 -9.468 -12.167 700 H ALA 115 H ALA 115 7.451 -5.483 -9.209 701 HA ALA 115 HA ALA 115 8.297 -4.666 -7.338 702 1HB ALA 115 1HB ALA 115 8.488 -6.993 -6.576 703 2HB ALA 115 2HB ALA 115 10.147 -7.068 -7.217 704 3HB ALA 115 3HB ALA 115 9.756 -5.957 -5.898 705 H ALA 116 H ALA 116 10.825 -5.601 -9.638 706 HA ALA 116 HA ALA 116 12.835 -4.778 -10.186 707 1HB ALA 116 1HB ALA 116 11.245 -2.195 -9.999 708 2HB ALA 116 2HB ALA 116 12.849 -2.348 -10.751 709 3HB ALA 116 3HB ALA 116 11.479 -3.245 -11.412 710 H ASN 117 H ASN 117 12.494 -1.810 -8.400 711 HA ASN 117 HA ASN 117 14.269 -2.800 -6.218 712 1HB ASN 117 1HB ASN 117 15.550 -1.466 -7.875 713 2HB ASN 117 2HB ASN 117 14.673 -0.057 -7.268 714 1HD2 ASN 117 2HD2 ASN 117 17.528 -0.524 -6.916 715 2HD2 ASN 117 1HD2 ASN 117 17.850 -0.900 -5.219 716 H ILE 118 H ILE 118 12.306 -3.375 -5.267 717 HA ILE 118 HA ILE 118 10.341 -1.429 -4.649 718 HB ILE 118 HB ILE 118 10.297 -4.013 -4.784 719 1HG1 ILE 118 1HG1 ILE 118 8.351 -4.202 -3.238 720 2HG1 ILE 118 2HG1 ILE 118 8.746 -2.615 -2.564 721 1HG2 ILE 118 1HG2 ILE 118 11.986 -4.489 -3.037 722 2HG2 ILE 118 2HG2 ILE 118 10.827 -3.918 -1.814 723 3HG2 ILE 118 3HG2 ILE 118 10.433 -5.300 -2.851 724 1HD1 ILE 118 1HD1 ILE 118 8.168 -3.048 -5.520 725 2HD1 ILE 118 2HD1 ILE 118 6.915 -2.711 -4.308 726 3HD1 ILE 118 3HD1 ILE 118 8.172 -1.511 -4.613 727 H SER 119 H SER 119 13.060 -2.707 -2.941 728 HA SER 119 HA SER 119 12.818 -1.338 -0.508 729 1HB SER 119 1HB SER 119 15.505 -1.631 -1.909 730 2HB SER 119 2HB SER 119 15.128 -1.871 -0.193 731 HG SER 119 HG SER 119 14.361 -3.818 -0.578 732 H ALA 120 H ALA 120 14.240 -0.306 -3.529 733 HA ALA 120 HA ALA 120 14.930 2.361 -2.752 734 1HB ALA 120 1HB ALA 120 14.379 1.125 -5.467 735 2HB ALA 120 2HB ALA 120 15.100 2.708 -5.238 736 3HB ALA 120 3HB ALA 120 15.948 1.257 -4.664 737 H TYR 121 H TYR 121 11.903 0.996 -4.274 738 HA TYR 121 HA TYR 121 10.677 3.548 -4.592 739 1HB TYR 121 1HB TYR 121 9.526 0.746 -4.262 740 2HB TYR 121 2HB TYR 121 8.555 2.169 -4.530 741 HD1 TYR 121 HD1 TYR 121 9.719 3.723 -6.622 742 HD2 TYR 121 HD2 TYR 121 9.481 -0.580 -6.268 743 HE1 TYR 121 HE1 TYR 121 9.817 3.492 -9.069 744 HE2 TYR 121 HE2 TYR 121 9.556 -0.806 -8.689 745 HH TYR 121 HH TYR 121 8.964 1.834 -10.750 746 H ALA 122 H ALA 122 10.686 1.171 -1.858 747 HA ALA 122 HA ALA 122 8.915 2.731 -0.225 748 1HB ALA 122 1HB ALA 122 10.966 0.591 0.466 749 2HB ALA 122 2HB ALA 122 9.715 1.240 1.551 750 3HB ALA 122 3HB ALA 122 9.245 0.327 0.105 751 H ASP 123 H ASP 123 12.489 2.675 -0.609 752 HA ASP 123 HA ASP 123 13.148 4.427 1.508 753 1HB ASP 123 1HB ASP 123 14.423 3.913 -1.187 754 2HB ASP 123 2HB ASP 123 15.001 5.218 -0.174 755 H ILE 124 H ILE 124 12.027 5.184 -1.842 756 HA ILE 124 HA ILE 124 12.244 8.020 -1.572 757 HB ILE 124 HB ILE 124 10.182 6.465 -3.189 758 1HG1 ILE 124 1HG1 ILE 124 12.705 7.735 -4.306 759 2HG1 ILE 124 2HG1 ILE 124 12.735 6.105 -3.698 760 1HG2 ILE 124 1HG2 ILE 124 9.515 8.826 -2.904 761 2HG2 ILE 124 2HG2 ILE 124 11.104 9.362 -3.478 762 3HG2 ILE 124 3HG2 ILE 124 9.989 8.515 -4.570 763 1HD1 ILE 124 1HD1 ILE 124 10.725 5.627 -5.269 764 2HD1 ILE 124 2HD1 ILE 124 11.170 7.154 -6.058 765 3HD1 ILE 124 3HD1 ILE 124 12.334 5.810 -5.974 766 H VAL 125 H VAL 125 9.454 5.821 -0.920 767 HA VAL 125 HA VAL 125 7.683 7.841 -0.057 768 HB VAL 125 HB VAL 125 7.842 4.909 0.769 769 1HG1 VAL 125 1HG1 VAL 125 5.560 6.914 1.049 770 2HG1 VAL 125 2HG1 VAL 125 5.397 5.164 1.244 771 3HG1 VAL 125 3HG1 VAL 125 6.412 6.075 2.363 772 1HG2 VAL 125 1HG2 VAL 125 6.279 6.311 -1.439 773 2HG2 VAL 125 2HG2 VAL 125 7.597 5.162 -1.664 774 3HG2 VAL 125 3HG2 VAL 125 6.089 4.603 -0.959 775 H ARG 126 H ARG 126 10.001 5.858 1.843 776 HA ARG 126 HA ARG 126 9.399 7.008 4.349 777 1HB ARG 126 1HB ARG 126 10.750 4.898 3.942 778 2HB ARG 126 2HB ARG 126 12.070 5.894 3.353 779 1HG ARG 126 1HG ARG 126 12.479 5.240 5.633 780 2HG ARG 126 2HG ARG 126 12.248 6.977 5.569 781 1HD ARG 126 1HD ARG 126 9.874 6.658 6.331 782 2HD ARG 126 2HD ARG 126 10.212 4.930 6.519 783 HE ARG 126 HE ARG 126 12.121 6.634 7.902 784 1HH1 ARG 126 1HH1 ARG 126 8.817 5.253 8.268 785 2HH1 ARG 126 2HH1 ARG 126 9.057 5.025 9.984 786 1HH2 ARG 126 1HH2 ARG 126 12.113 6.795 10.066 787 2HH2 ARG 126 2HH2 ARG 126 10.745 6.274 11.036 788 H GLU 127 H GLU 127 11.788 8.015 1.839 789 HA GLU 127 HA GLU 127 12.945 10.101 3.371 790 1HB GLU 127 1HB GLU 127 13.277 9.101 0.731 791 2HB GLU 127 2HB GLU 127 12.669 10.721 0.488 792 1HG GLU 127 1HG GLU 127 14.950 11.036 0.563 793 2HG GLU 127 2HG GLU 127 14.492 11.455 2.214 794 H ARG 128 H ARG 128 10.136 10.100 1.165 795 HA ARG 128 HA ARG 128 9.565 12.910 1.446 796 1HB ARG 128 1HB ARG 128 7.674 10.588 0.857 797 2HB ARG 128 2HB ARG 128 7.300 12.292 0.660 798 1HG ARG 128 1HG ARG 128 9.466 10.822 -0.883 799 2HG ARG 128 2HG ARG 128 7.845 11.121 -1.470 800 1HD ARG 128 1HD ARG 128 8.256 13.544 -1.416 801 2HD ARG 128 2HD ARG 128 9.861 13.275 -0.719 802 HE ARG 128 HE ARG 128 8.919 12.498 -3.435 803 1HH1 ARG 128 1HH1 ARG 128 11.733 13.062 -1.278 804 2HH1 ARG 128 2HH1 ARG 128 12.882 12.715 -2.508 805 1HH2 ARG 128 1HH2 ARG 128 10.484 12.021 -5.036 806 2HH2 ARG 128 2HH2 ARG 128 12.161 12.301 -4.719 807 H ALA 129 H ALA 129 8.414 10.053 3.318 808 HA ALA 129 HA ALA 129 6.690 11.547 5.015 809 1HB ALA 129 1HB ALA 129 6.628 9.103 4.803 810 2HB ALA 129 2HB ALA 129 8.223 8.977 5.580 811 3HB ALA 129 3HB ALA 129 6.835 9.602 6.495 812 H VAL 130 H VAL 130 10.210 10.745 5.364 813 HA VAL 130 HA VAL 130 10.409 12.073 7.890 814 HB VAL 130 HB VAL 130 12.481 11.270 5.839 815 1HG1 VAL 130 1HG1 VAL 130 12.920 12.351 8.664 816 2HG1 VAL 130 2HG1 VAL 130 14.164 11.563 7.667 817 3HG1 VAL 130 3HG1 VAL 130 13.474 13.101 7.150 818 1HG2 VAL 130 1HG2 VAL 130 11.636 10.159 8.576 819 2HG2 VAL 130 2HG2 VAL 130 11.270 9.410 7.012 820 3HG2 VAL 130 3HG2 VAL 130 12.936 9.509 7.573 821 H VAL 131 H VAL 131 10.736 13.287 4.536 822 HA VAL 131 HA VAL 131 11.396 15.981 5.346 823 HB VAL 131 HB VAL 131 9.920 14.954 2.888 824 1HG1 VAL 131 1HG1 VAL 131 11.007 17.743 3.448 825 2HG1 VAL 131 2HG1 VAL 131 10.464 17.161 1.856 826 3HG1 VAL 131 3HG1 VAL 131 9.311 17.306 3.182 827 1HG2 VAL 131 1HG2 VAL 131 12.371 14.287 3.171 828 2HG2 VAL 131 2HG2 VAL 131 11.994 15.217 1.718 829 3HG2 VAL 131 3HG2 VAL 131 12.766 15.996 3.115 830 H ARG 132 H ARG 132 8.253 14.250 5.064 831 HA ARG 132 HA ARG 132 6.685 16.546 5.711 832 1HB ARG 132 1HB ARG 132 5.918 14.411 4.538 833 2HB ARG 132 2HB ARG 132 5.910 13.622 6.103 834 1HG ARG 132 1HG ARG 132 4.406 16.162 6.184 835 2HG ARG 132 2HG ARG 132 3.858 15.137 4.877 836 1HD ARG 132 1HD ARG 132 2.543 14.796 6.896 837 2HD ARG 132 2HD ARG 132 3.337 13.322 6.370 838 HE ARG 132 HE ARG 132 4.263 15.089 8.601 839 1HH1 ARG 132 1HH1 ARG 132 4.333 11.786 7.131 840 2HH1 ARG 132 2HH1 ARG 132 5.061 11.110 8.557 841 1HH2 ARG 132 1HH2 ARG 132 5.018 14.113 10.424 842 2HH2 ARG 132 2HH2 ARG 132 5.367 12.400 10.476 843 H GLU 133 H GLU 133 8.462 14.385 7.805 844 HA GLU 133 HA GLU 133 7.140 15.629 10.136 845 1HB GLU 133 1HB GLU 133 8.356 14.392 11.592 846 2HB GLU 133 2HB GLU 133 8.001 13.277 10.283 847 1HG GLU 133 1HG GLU 133 10.302 13.404 9.503 848 2HG GLU 133 2HG GLU 133 10.667 14.708 10.643 849 H MET 134 H MET 134 10.242 15.862 8.409 850 HA MET 134 HA MET 134 11.201 18.126 9.947 851 1HB MET 134 1HB MET 134 12.270 16.805 7.421 852 2HB MET 134 2HB MET 134 13.093 18.064 8.349 853 1HG MET 134 1HG MET 134 13.120 16.607 10.341 854 2HG MET 134 2HG MET 134 12.353 15.320 9.407 855 1HE MET 134 1HE MET 134 14.199 13.671 10.240 856 2HE MET 134 2HE MET 134 15.943 13.961 10.055 857 3HE MET 134 3HE MET 134 14.981 14.991 11.137 858 H ILE 135 H ILE 135 8.775 18.863 9.105 859 HA ILE 135 HA ILE 135 8.642 20.514 6.815 860 HB ILE 135 HB ILE 135 6.866 21.675 7.949 861 1HG1 ILE 135 1HG1 ILE 135 7.799 20.373 10.549 862 2HG1 ILE 135 2HG1 ILE 135 7.911 22.087 10.133 863 1HG2 ILE 135 1HG2 ILE 135 6.504 19.287 7.194 864 2HG2 ILE 135 2HG2 ILE 135 6.738 18.779 8.879 865 3HG2 ILE 135 3HG2 ILE 135 5.397 19.842 8.450 866 1HD1 ILE 135 1HD1 ILE 135 5.421 22.174 9.937 867 2HD1 ILE 135 2HD1 ILE 135 5.363 20.536 10.631 868 3HD1 ILE 135 3HD1 ILE 135 6.063 21.870 11.565 869 H SER 136 H SER 136 10.398 20.921 9.769 870 HA SER 136 HA SER 136 11.449 22.618 10.826 871 1HB SER 136 1HB SER 136 12.466 22.999 8.000 872 2HB SER 136 2HB SER 136 13.222 23.658 9.468 873 HG SER 136 HG SER 136 14.147 21.635 8.950 Start of MODEL 6 1 1H MET 23 1H MET 23 -7.932 17.914 -0.900 2 2H MET 23 2H MET 23 -6.926 16.679 -0.516 3 3H MET 23 3H MET 23 -8.132 17.113 0.522 4 HA MET 23 HA MET 23 -7.120 19.257 0.884 5 1HB MET 23 1HB MET 23 -4.987 17.129 1.256 6 2HB MET 23 2HB MET 23 -5.233 18.589 2.184 7 1HG MET 23 1HG MET 23 -6.024 16.913 3.591 8 2HG MET 23 2HG MET 23 -7.505 17.563 2.905 9 1HE MET 23 1HE MET 23 -6.643 14.643 4.420 10 2HE MET 23 2HE MET 23 -8.363 15.009 4.139 11 3HE MET 23 3HE MET 23 -7.677 13.485 3.557 12 H LYS 24 H LYS 24 -4.794 20.443 0.643 13 HA LYS 24 HA LYS 24 -3.994 20.445 -2.149 14 1HB LYS 24 1HB LYS 24 -3.699 22.319 -0.331 15 2HB LYS 24 2HB LYS 24 -2.272 21.429 0.159 16 1HG LYS 24 1HG LYS 24 -2.861 22.533 -2.629 17 2HG LYS 24 2HG LYS 24 -1.865 23.323 -1.425 18 1HD LYS 24 1HD LYS 24 -1.172 20.672 -2.766 19 2HD LYS 24 2HD LYS 24 -0.573 22.251 -3.226 20 1HE LYS 24 1HE LYS 24 0.362 22.542 -0.905 21 2HE LYS 24 2HE LYS 24 -0.081 20.863 -0.563 22 1HZ LYS 24 1HZ LYS 24 1.752 21.718 -2.735 23 2HZ LYS 24 2HZ LYS 24 2.224 21.127 -1.285 24 3HZ LYS 24 3HZ LYS 24 1.372 20.169 -2.339 25 H VAL 25 H VAL 25 -2.835 18.809 -3.021 26 HA VAL 25 HA VAL 25 -1.992 16.515 -1.667 27 HB VAL 25 HB VAL 25 -0.522 16.270 -3.796 28 1HG1 VAL 25 1HG1 VAL 25 -2.650 15.087 -3.414 29 2HG1 VAL 25 2HG1 VAL 25 -3.563 16.504 -3.969 30 3HG1 VAL 25 3HG1 VAL 25 -2.517 15.606 -5.094 31 1HG2 VAL 25 1HG2 VAL 25 -0.604 18.684 -4.487 32 2HG2 VAL 25 2HG2 VAL 25 -1.093 17.525 -5.725 33 3HG2 VAL 25 3HG2 VAL 25 -2.323 18.456 -4.866 34 HA PRO 26 HA PRO 26 1.543 18.565 0.298 35 1HB PRO 26 1HB PRO 26 2.245 16.585 2.059 36 2HB PRO 26 2HB PRO 26 0.789 17.588 2.244 37 1HG PRO 26 1HG PRO 26 1.038 14.832 0.997 38 2HG PRO 26 2HG PRO 26 -0.072 15.356 2.306 39 1HD PRO 26 1HD PRO 26 -0.893 15.324 -0.276 40 2HD PRO 26 2HD PRO 26 -1.374 16.641 0.815 41 HA PRO 27 HA PRO 27 5.174 16.816 -1.738 42 1HB PRO 27 1HB PRO 27 7.242 16.813 0.089 43 2HB PRO 27 2HB PRO 27 6.531 18.278 -0.614 44 1HG PRO 27 1HG PRO 27 5.817 16.976 2.029 45 2HG PRO 27 2HG PRO 27 6.270 18.688 1.723 46 1HD PRO 27 1HD PRO 27 3.697 18.001 1.860 47 2HD PRO 27 2HD PRO 27 4.227 19.117 0.583 48 H HIS 28 H HIS 28 3.345 14.832 -0.913 49 HA HIS 28 HA HIS 28 4.752 12.403 -0.046 50 1HB HIS 28 1HB HIS 28 2.559 11.386 -0.507 51 2HB HIS 28 2HB HIS 28 2.402 12.764 0.561 52 HD1 HIS 28 HD1 HIS 28 2.652 13.731 -3.130 53 HD2 HIS 28 HD2 HIS 28 -0.225 12.758 -0.214 54 HE1 HIS 28 HE1 HIS 28 0.403 14.366 -4.099 55 H SER 29 H SER 29 4.191 10.460 -1.851 56 HA SER 29 HA SER 29 4.369 11.466 -4.587 57 1HB SER 29 1HB SER 29 6.604 9.770 -3.404 58 2HB SER 29 2HB SER 29 6.297 9.959 -5.141 59 HG SER 29 HG SER 29 6.484 12.216 -4.858 60 H ILE 30 H ILE 30 2.270 10.654 -4.513 61 HA ILE 30 HA ILE 30 1.328 8.189 -3.788 62 HB ILE 30 HB ILE 30 0.605 10.221 -5.876 63 1HG1 ILE 30 1HG1 ILE 30 -1.440 10.435 -4.732 64 2HG1 ILE 30 2HG1 ILE 30 -1.279 8.875 -3.917 65 1HG2 ILE 30 1HG2 ILE 30 0.103 8.112 -7.175 66 2HG2 ILE 30 2HG2 ILE 30 -1.045 7.661 -5.918 67 3HG2 ILE 30 3HG2 ILE 30 -1.275 9.142 -6.839 68 1HD1 ILE 30 1HD1 ILE 30 0.667 11.129 -3.431 69 2HD1 ILE 30 2HD1 ILE 30 -0.850 10.970 -2.547 70 3HD1 ILE 30 3HD1 ILE 30 0.367 9.679 -2.430 71 H GLU 31 H GLU 31 2.804 9.007 -6.930 72 HA GLU 31 HA GLU 31 2.375 6.426 -7.988 73 1HB GLU 31 1HB GLU 31 4.102 8.793 -8.741 74 2HB GLU 31 2HB GLU 31 3.996 7.325 -9.725 75 1HG GLU 31 1HG GLU 31 1.511 7.529 -9.786 76 2HG GLU 31 2HG GLU 31 1.520 8.827 -8.641 77 H ALA 32 H ALA 32 5.058 7.600 -6.163 78 HA ALA 32 HA ALA 32 6.730 5.200 -6.548 79 1HB ALA 32 1HB ALA 32 7.778 7.302 -5.777 80 2HB ALA 32 2HB ALA 32 6.795 7.254 -4.290 81 3HB ALA 32 3HB ALA 32 8.000 5.991 -4.600 82 H GLU 33 H GLU 33 4.514 6.381 -3.993 83 HA GLU 33 HA GLU 33 4.549 4.174 -2.257 84 1HB GLU 33 1HB GLU 33 2.318 6.105 -2.986 85 2HB GLU 33 2HB GLU 33 2.235 5.021 -1.634 86 1HG GLU 33 1HG GLU 33 3.903 6.207 -0.434 87 2HG GLU 33 2HG GLU 33 4.490 7.046 -1.868 88 H GLN 34 H GLN 34 2.528 4.755 -5.120 89 HA GLN 34 HA GLN 34 0.866 2.505 -5.046 90 1HB GLN 34 1HB GLN 34 2.053 4.003 -7.427 91 2HB GLN 34 2HB GLN 34 0.902 2.683 -7.579 92 1HG GLN 34 1HG GLN 34 -0.750 4.034 -6.246 93 2HG GLN 34 2HG GLN 34 0.325 5.399 -6.376 94 1HE2 GLN 34 2HE2 GLN 34 -2.398 4.263 -7.791 95 2HE2 GLN 34 1HE2 GLN 34 -2.078 4.585 -9.482 96 H SER 35 H SER 35 4.096 2.935 -6.672 97 HA SER 35 HA SER 35 4.145 0.280 -7.667 98 1HB SER 35 1HB SER 35 6.334 2.354 -7.260 99 2HB SER 35 2HB SER 35 6.559 0.806 -8.101 100 HG SER 35 HG SER 35 4.744 1.461 -9.476 101 H VAL 36 H VAL 36 5.188 1.611 -4.516 102 HA VAL 36 HA VAL 36 6.605 -0.778 -3.731 103 HB VAL 36 HB VAL 36 5.079 1.199 -1.956 104 1HG1 VAL 36 1HG1 VAL 36 7.198 -0.888 -1.271 105 2HG1 VAL 36 2HG1 VAL 36 6.555 0.322 -0.146 106 3HG1 VAL 36 3HG1 VAL 36 5.493 -0.933 -0.776 107 1HG2 VAL 36 1HG2 VAL 36 8.034 1.066 -2.650 108 2HG2 VAL 36 2HG2 VAL 36 6.891 2.310 -3.211 109 3HG2 VAL 36 3HG2 VAL 36 7.270 2.192 -1.504 110 H LEU 37 H LEU 37 3.219 0.281 -3.130 111 HA LEU 37 HA LEU 37 2.577 -2.144 -1.775 112 1HB LEU 37 1HB LEU 37 0.779 -0.122 -3.162 113 2HB LEU 37 2HB LEU 37 0.206 -1.408 -2.097 114 HG LEU 37 HG LEU 37 2.139 0.815 -1.262 115 1HD1 LEU 37 1HD1 LEU 37 -0.824 0.464 -0.726 116 2HD1 LEU 37 2HD1 LEU 37 0.236 1.700 -0.010 117 3HD1 LEU 37 3HD1 LEU 37 -0.061 1.701 -1.761 118 1HD2 LEU 37 1HD2 LEU 37 0.797 -1.368 0.377 119 2HD2 LEU 37 2HD2 LEU 37 2.539 -1.079 0.166 120 3HD2 LEU 37 3HD2 LEU 37 1.564 0.079 1.066 121 H GLY 38 H GLY 38 2.110 -1.195 -5.189 122 1HA GLY 38 1HA GLY 38 0.929 -3.556 -6.169 123 2HA GLY 38 2HA GLY 38 2.047 -2.496 -7.056 124 H GLY 39 H GLY 39 4.381 -2.833 -5.356 125 1HA GLY 39 1HA GLY 39 5.491 -5.171 -6.545 126 2HA GLY 39 2HA GLY 39 6.206 -4.142 -5.296 127 H LEU 40 H LEU 40 3.834 -4.598 -3.438 128 HA LEU 40 HA LEU 40 4.951 -6.968 -2.168 129 1HB LEU 40 1HB LEU 40 2.575 -5.194 -1.488 130 2HB LEU 40 2HB LEU 40 3.145 -6.504 -0.467 131 HG LEU 40 HG LEU 40 4.868 -4.123 -1.282 132 1HD1 LEU 40 1HD1 LEU 40 2.966 -3.429 0.094 133 2HD1 LEU 40 2HD1 LEU 40 3.419 -4.622 1.330 134 3HD1 LEU 40 3HD1 LEU 40 4.511 -3.268 0.935 135 1HD2 LEU 40 1HD2 LEU 40 5.264 -6.400 0.695 136 2HD2 LEU 40 2HD2 LEU 40 6.269 -6.022 -0.715 137 3HD2 LEU 40 3HD2 LEU 40 6.267 -4.928 0.667 138 H MET 41 H MET 41 1.937 -6.282 -3.974 139 HA MET 41 HA MET 41 0.853 -8.957 -3.618 140 1HB MET 41 1HB MET 41 0.389 -6.823 -5.746 141 2HB MET 41 2HB MET 41 -0.393 -8.401 -5.747 142 1HG MET 41 1HG MET 41 -2.010 -7.315 -4.628 143 2HG MET 41 2HG MET 41 -1.035 -7.780 -3.255 144 1HE MET 41 1HE MET 41 -0.916 -4.885 -5.972 145 2HE MET 41 2HE MET 41 -2.577 -4.848 -5.339 146 3HE MET 41 3HE MET 41 -1.465 -3.503 -5.000 147 H LEU 42 H LEU 42 3.418 -7.583 -5.566 148 HA LEU 42 HA LEU 42 3.498 -9.794 -7.454 149 1HB LEU 42 1HB LEU 42 4.851 -7.188 -7.147 150 2HB LEU 42 2HB LEU 42 5.750 -8.445 -7.994 151 HG LEU 42 HG LEU 42 2.842 -7.948 -8.700 152 1HD1 LEU 42 1HD1 LEU 42 5.223 -6.306 -9.547 153 2HD1 LEU 42 2HD1 LEU 42 3.699 -6.384 -10.473 154 3HD1 LEU 42 3HD1 LEU 42 3.708 -5.789 -8.804 155 1HD2 LEU 42 1HD2 LEU 42 5.266 -9.145 -10.116 156 2HD2 LEU 42 2HD2 LEU 42 3.728 -9.912 -9.719 157 3HD2 LEU 42 3HD2 LEU 42 3.787 -8.676 -10.978 158 H ASP 43 H ASP 43 5.462 -8.720 -4.721 159 HA ASP 43 HA ASP 43 6.648 -11.432 -4.535 160 1HB ASP 43 1HB ASP 43 8.355 -10.134 -5.693 161 2HB ASP 43 2HB ASP 43 8.332 -8.919 -4.401 162 H ASN 44 H ASN 44 5.792 -12.088 -2.789 163 HA ASN 44 HA ASN 44 4.866 -10.630 -0.574 164 1HB ASN 44 1HB ASN 44 5.752 -13.556 -0.629 165 2HB ASN 44 2HB ASN 44 4.666 -12.814 0.536 166 1HD2 ASN 44 2HD2 ASN 44 2.666 -13.920 0.117 167 2HD2 ASN 44 1HD2 ASN 44 1.951 -13.888 -1.500 168 H GLU 45 H GLU 45 8.083 -12.005 -1.292 169 HA GLU 45 HA GLU 45 9.069 -12.053 1.439 170 1HB GLU 45 1HB GLU 45 10.434 -11.882 -1.299 171 2HB GLU 45 2HB GLU 45 11.282 -12.134 0.208 172 1HG GLU 45 1HG GLU 45 9.198 -14.065 -0.881 173 2HG GLU 45 2HG GLU 45 10.940 -14.218 -1.128 174 H ARG 46 H ARG 46 8.900 -9.563 -1.091 175 HA ARG 46 HA ARG 46 10.800 -7.879 0.298 176 1HB ARG 46 1HB ARG 46 8.835 -7.380 -1.965 177 2HB ARG 46 2HB ARG 46 9.913 -6.132 -1.332 178 1HG ARG 46 1HG ARG 46 11.030 -8.803 -2.206 179 2HG ARG 46 2HG ARG 46 10.685 -7.538 -3.393 180 1HD ARG 46 1HD ARG 46 12.154 -6.027 -1.883 181 2HD ARG 46 2HD ARG 46 12.594 -7.491 -1.029 182 HE ARG 46 HE ARG 46 14.196 -6.716 -2.725 183 1HH1 ARG 46 1HH1 ARG 46 11.835 -9.316 -3.879 184 2HH1 ARG 46 2HH1 ARG 46 12.936 -9.721 -5.119 185 1HH2 ARG 46 1HH2 ARG 46 15.396 -7.340 -4.502 186 2HH2 ARG 46 2HH2 ARG 46 14.894 -8.743 -5.409 187 H TRP 47 H TRP 47 7.723 -8.782 1.245 188 HA TRP 47 HA TRP 47 6.676 -6.391 2.415 189 1HB TRP 47 1HB TRP 47 5.439 -8.510 2.572 190 2HB TRP 47 2HB TRP 47 6.790 -9.269 3.437 191 HD1 TRP 47 HD1 TRP 47 6.992 -8.875 6.005 192 HE1 TRP 47 HE1 TRP 47 5.674 -7.550 7.763 193 HE3 TRP 47 HE3 TRP 47 3.928 -6.264 2.880 194 HZ2 TRP 47 HZ2 TRP 47 3.746 -5.399 7.774 195 HZ3 TRP 47 HZ3 TRP 47 2.377 -4.545 3.776 196 HH2 TRP 47 HH2 TRP 47 2.298 -4.074 6.190 197 H ASP 48 H ASP 48 9.262 -8.632 3.505 198 HA ASP 48 HA ASP 48 9.702 -7.222 6.020 199 1HB ASP 48 1HB ASP 48 11.373 -9.062 4.225 200 2HB ASP 48 2HB ASP 48 12.004 -8.383 5.702 201 H ASP 49 H ASP 49 10.751 -6.722 2.811 202 HA ASP 49 HA ASP 49 13.177 -5.225 3.469 203 1HB ASP 49 1HB ASP 49 12.431 -6.641 1.287 204 2HB ASP 49 2HB ASP 49 11.847 -5.077 0.742 205 H VAL 50 H VAL 50 9.955 -4.608 2.199 206 HA VAL 50 HA VAL 50 10.012 -1.752 2.342 207 HB VAL 50 HB VAL 50 7.894 -3.926 2.236 208 1HG1 VAL 50 1HG1 VAL 50 7.522 -0.884 1.959 209 2HG1 VAL 50 2HG1 VAL 50 6.282 -2.088 1.573 210 3HG1 VAL 50 3HG1 VAL 50 6.832 -1.905 3.240 211 1HG2 VAL 50 1HG2 VAL 50 8.949 -1.953 0.140 212 2HG2 VAL 50 2HG2 VAL 50 9.283 -3.688 0.190 213 3HG2 VAL 50 3HG2 VAL 50 7.641 -3.126 -0.127 214 H ALA 51 H ALA 51 8.950 -4.334 4.713 215 HA ALA 51 HA ALA 51 8.043 -2.467 6.634 216 1HB ALA 51 1HB ALA 51 7.495 -4.900 6.712 217 2HB ALA 51 2HB ALA 51 9.179 -5.244 7.162 218 3HB ALA 51 3HB ALA 51 8.130 -4.298 8.241 219 H GLU 52 H GLU 52 11.301 -3.445 5.866 220 HA GLU 52 HA GLU 52 12.333 -2.085 8.170 221 1HB GLU 52 1HB GLU 52 14.467 -2.786 7.813 222 2HB GLU 52 2HB GLU 52 13.389 -4.177 7.645 223 1HG GLU 52 1HG GLU 52 13.626 -4.192 5.307 224 2HG GLU 52 2HG GLU 52 14.341 -2.568 5.261 225 H ARG 53 H ARG 53 11.180 -1.035 5.338 226 HA ARG 53 HA ARG 53 12.913 1.405 5.354 227 1HB ARG 53 1HB ARG 53 10.950 0.398 3.247 228 2HB ARG 53 2HB ARG 53 11.774 1.947 3.183 229 1HG ARG 53 1HG ARG 53 13.148 -0.770 3.000 230 2HG ARG 53 2HG ARG 53 12.750 0.289 1.660 231 1HD ARG 53 1HD ARG 53 15.037 0.639 2.082 232 2HD ARG 53 2HD ARG 53 14.191 2.053 2.750 233 HE ARG 53 HE ARG 53 14.527 -0.032 4.710 234 1HH1 ARG 53 1HH1 ARG 53 16.248 2.626 3.136 235 2HH1 ARG 53 2HH1 ARG 53 17.192 3.058 4.511 236 1HH2 ARG 53 1HH2 ARG 53 15.681 0.434 6.508 237 2HH2 ARG 53 2HH2 ARG 53 17.046 1.500 6.501 238 H VAL 54 H VAL 54 9.547 0.198 5.708 239 HA VAL 54 HA VAL 54 8.836 2.835 6.835 240 HB VAL 54 HB VAL 54 6.874 2.677 5.231 241 1HG1 VAL 54 1HG1 VAL 54 8.749 4.305 4.907 242 2HG1 VAL 54 2HG1 VAL 54 9.451 3.172 3.736 243 3HG1 VAL 54 3HG1 VAL 54 7.850 3.889 3.446 244 1HG2 VAL 54 1HG2 VAL 54 7.270 0.293 4.559 245 2HG2 VAL 54 2HG2 VAL 54 6.854 1.411 3.283 246 3HG2 VAL 54 3HG2 VAL 54 8.541 0.904 3.481 247 H VAL 55 H VAL 55 6.545 2.917 7.435 248 HA VAL 55 HA VAL 55 5.136 0.391 8.017 249 HB VAL 55 HB VAL 55 4.318 1.453 10.147 250 1HG1 VAL 55 1HG1 VAL 55 5.956 -0.374 10.122 251 2HG1 VAL 55 2HG1 VAL 55 7.276 0.795 10.041 252 3HG1 VAL 55 3HG1 VAL 55 6.216 0.735 11.473 253 1HG2 VAL 55 1HG2 VAL 55 5.100 3.811 9.637 254 2HG2 VAL 55 2HG2 VAL 55 5.544 3.195 11.237 255 3HG2 VAL 55 3HG2 VAL 55 6.755 3.260 9.942 256 H ALA 56 H ALA 56 2.710 1.043 8.532 257 HA ALA 56 HA ALA 56 1.663 2.302 6.248 258 1HB ALA 56 1HB ALA 56 0.387 0.724 7.723 259 2HB ALA 56 2HB ALA 56 0.315 1.980 8.974 260 3HB ALA 56 3HB ALA 56 -0.501 2.224 7.417 261 H ASP 57 H ASP 57 2.764 3.762 9.236 262 HA ASP 57 HA ASP 57 1.305 6.265 8.865 263 1HB ASP 57 1HB ASP 57 3.415 5.175 10.766 264 2HB ASP 57 2HB ASP 57 3.246 6.922 10.640 265 H ASP 58 H ASP 58 4.185 5.054 7.273 266 HA ASP 58 HA ASP 58 5.401 7.682 6.952 267 1HB ASP 58 1HB ASP 58 5.756 4.969 5.620 268 2HB ASP 58 2HB ASP 58 6.604 6.407 5.090 269 H PHE 59 H PHE 59 2.836 5.858 5.500 270 HA PHE 59 HA PHE 59 2.678 7.505 3.056 271 1HB PHE 59 1HB PHE 59 1.021 5.203 4.163 272 2HB PHE 59 2HB PHE 59 0.682 6.016 2.648 273 HD1 PHE 59 HD1 PHE 59 3.465 4.115 4.414 274 HD2 PHE 59 HD2 PHE 59 1.559 5.100 0.670 275 HE1 PHE 59 HE1 PHE 59 4.888 2.518 3.270 276 HE2 PHE 59 HE2 PHE 59 2.839 3.258 -0.435 277 HZ PHE 59 HZ PHE 59 4.505 1.970 0.845 278 H TYR 60 H TYR 60 0.585 8.637 2.652 279 HA TYR 60 HA TYR 60 -0.771 9.650 5.099 280 1HB TYR 60 1HB TYR 60 0.751 11.256 4.467 281 2HB TYR 60 2HB TYR 60 0.666 10.895 2.777 282 HD1 TYR 60 HD1 TYR 60 -1.195 11.558 1.355 283 HD2 TYR 60 HD2 TYR 60 -0.754 13.035 5.367 284 HE1 TYR 60 HE1 TYR 60 -2.641 13.450 0.794 285 HE2 TYR 60 HE2 TYR 60 -2.206 14.956 4.841 286 HH TYR 60 HH TYR 60 -3.588 15.377 1.492 287 H THR 61 H THR 61 -1.160 8.695 1.671 288 HA THR 61 HA THR 61 -3.814 9.755 1.415 289 HB THR 61 HB THR 61 -3.738 8.078 -0.604 290 HG1 THR 61 HG1 THR 61 -0.963 8.203 -0.175 291 1HG2 THR 61 1HG2 THR 61 -3.353 10.527 -0.769 292 2HG2 THR 61 2HG2 THR 61 -1.615 10.235 -0.499 293 3HG2 THR 61 3HG2 THR 61 -2.440 9.544 -1.920 294 H ARG 62 H ARG 62 -5.804 8.562 1.076 295 HA ARG 62 HA ARG 62 -6.289 6.645 3.138 296 1HB ARG 62 1HB ARG 62 -7.839 7.843 0.888 297 2HB ARG 62 2HB ARG 62 -8.366 6.231 1.374 298 1HG ARG 62 1HG ARG 62 -8.670 6.970 3.697 299 2HG ARG 62 2HG ARG 62 -8.134 8.599 3.250 300 1HD ARG 62 1HD ARG 62 -9.983 8.614 1.496 301 2HD ARG 62 2HD ARG 62 -10.581 7.109 2.190 302 HE ARG 62 HE ARG 62 -10.429 9.798 3.458 303 1HH1 ARG 62 1HH1 ARG 62 -12.248 6.733 3.174 304 2HH1 ARG 62 2HH1 ARG 62 -13.332 7.134 4.421 305 1HH2 ARG 62 1HH2 ARG 62 -11.867 10.233 5.265 306 2HH2 ARG 62 2HH2 ARG 62 -13.025 9.032 5.700 307 HA PRO 63 HA PRO 63 -6.667 3.228 -0.028 308 1HB PRO 63 1HB PRO 63 -5.364 3.269 -2.474 309 2HB PRO 63 2HB PRO 63 -7.043 3.833 -2.234 310 1HG PRO 63 1HG PRO 63 -4.525 5.513 -2.258 311 2HG PRO 63 2HG PRO 63 -6.062 5.792 -3.129 312 1HD PRO 63 1HD PRO 63 -5.572 7.056 -0.814 313 2HD PRO 63 2HD PRO 63 -7.196 6.375 -1.108 314 H HIS 64 H HIS 64 -3.519 4.956 -0.430 315 HA HIS 64 HA HIS 64 -2.025 2.557 -0.431 316 1HB HIS 64 1HB HIS 64 -1.071 5.322 0.367 317 2HB HIS 64 2HB HIS 64 -0.090 3.977 -0.166 318 HD1 HIS 64 HD1 HIS 64 0.176 6.651 -1.720 319 HD2 HIS 64 HD2 HIS 64 -2.393 3.468 -2.748 320 HE1 HIS 64 HE1 HIS 64 -0.152 6.767 -4.286 321 H ARG 65 H ARG 65 -3.008 4.755 2.304 322 HA ARG 65 HA ARG 65 -1.585 3.141 4.246 323 1HB ARG 65 1HB ARG 65 -3.802 5.221 4.556 324 2HB ARG 65 2HB ARG 65 -3.178 4.238 5.886 325 1HG ARG 65 1HG ARG 65 -0.856 4.964 5.223 326 2HG ARG 65 2HG ARG 65 -1.559 6.165 4.158 327 1HD ARG 65 1HD ARG 65 -0.735 6.589 6.717 328 2HD ARG 65 2HD ARG 65 -1.875 7.603 5.922 329 HE ARG 65 HE ARG 65 -3.673 6.609 7.073 330 1HH1 ARG 65 1HH1 ARG 65 -0.533 5.207 8.041 331 2HH1 ARG 65 2HH1 ARG 65 -1.136 4.668 9.601 332 1HH2 ARG 65 1HH2 ARG 65 -4.461 5.577 9.007 333 2HH2 ARG 65 2HH2 ARG 65 -3.314 4.940 10.164 334 H HIS 66 H HIS 66 -5.074 3.150 3.250 335 HA HIS 66 HA HIS 66 -6.001 1.173 4.935 336 1HB HIS 66 1HB HIS 66 -6.502 1.854 2.009 337 2HB HIS 66 2HB HIS 66 -7.377 0.533 2.776 338 HD1 HIS 66 HD1 HIS 66 -8.293 3.838 1.893 339 HD2 HIS 66 HD2 HIS 66 -8.491 1.323 5.192 340 HE1 HIS 66 HE1 HIS 66 -10.101 4.824 3.364 341 H ILE 67 H ILE 67 -4.420 0.703 1.763 342 HA ILE 67 HA ILE 67 -4.523 -2.132 1.767 343 HB ILE 67 HB ILE 67 -2.790 -0.066 0.372 344 1HG1 ILE 67 1HG1 ILE 67 -4.923 -1.950 -0.731 345 2HG1 ILE 67 2HG1 ILE 67 -5.311 -0.352 -0.112 346 1HG2 ILE 67 1HG2 ILE 67 -2.751 -3.085 0.017 347 2HG2 ILE 67 2HG2 ILE 67 -2.066 -1.950 -1.170 348 3HG2 ILE 67 3HG2 ILE 67 -1.397 -2.040 0.456 349 1HD1 ILE 67 1HD1 ILE 67 -3.667 0.631 -1.775 350 2HD1 ILE 67 2HD1 ILE 67 -3.592 -0.989 -2.509 351 3HD1 ILE 67 3HD1 ILE 67 -5.128 -0.104 -2.455 352 H PHE 68 H PHE 68 -1.912 0.146 2.863 353 HA PHE 68 HA PHE 68 -0.120 -1.850 3.678 354 1HB PHE 68 1HB PHE 68 0.091 0.755 3.522 355 2HB PHE 68 2HB PHE 68 -0.428 0.751 5.196 356 HD1 PHE 68 HD1 PHE 68 1.013 -1.267 6.634 357 HD2 PHE 68 HD2 PHE 68 2.343 0.960 3.171 358 HE1 PHE 68 HE1 PHE 68 3.347 -1.670 7.264 359 HE2 PHE 68 HE2 PHE 68 4.700 0.510 3.836 360 HZ PHE 68 HZ PHE 68 5.205 -0.726 5.880 361 H THR 69 H THR 69 -2.779 -0.267 5.620 362 HA THR 69 HA THR 69 -2.233 -1.696 7.996 363 HB THR 69 HB THR 69 -4.838 -0.526 6.925 364 HG1 THR 69 HG1 THR 69 -2.902 0.517 8.723 365 1HG2 THR 69 1HG2 THR 69 -4.088 -1.337 9.770 366 2HG2 THR 69 2HG2 THR 69 -5.506 -0.361 9.328 367 3HG2 THR 69 3HG2 THR 69 -5.376 -2.033 8.769 368 H GLU 70 H GLU 70 -4.400 -2.577 5.227 369 HA GLU 70 HA GLU 70 -5.313 -4.942 6.549 370 1HB GLU 70 1HB GLU 70 -6.282 -3.638 4.461 371 2HB GLU 70 2HB GLU 70 -5.194 -4.665 3.544 372 1HG GLU 70 1HG GLU 70 -7.206 -5.919 3.603 373 2HG GLU 70 2HG GLU 70 -6.234 -6.665 4.843 374 H MET 71 H MET 71 -2.609 -4.342 4.261 375 HA MET 71 HA MET 71 -1.802 -7.033 3.860 376 1HB MET 71 1HB MET 71 -0.260 -4.405 3.900 377 2HB MET 71 2HB MET 71 0.509 -5.953 3.554 378 1HG MET 71 1HG MET 71 -0.829 -6.303 1.600 379 2HG MET 71 2HG MET 71 -1.786 -4.849 1.921 380 1HE MET 71 1HE MET 71 -1.095 -4.529 -0.731 381 2HE MET 71 2HE MET 71 0.547 -4.130 -1.256 382 3HE MET 71 3HE MET 71 0.158 -5.787 -0.742 383 H ALA 72 H ALA 72 -0.677 -4.622 6.310 384 HA ALA 72 HA ALA 72 1.077 -6.442 7.671 385 1HB ALA 72 1HB ALA 72 -0.342 -3.890 8.470 386 2HB ALA 72 2HB ALA 72 0.673 -4.797 9.621 387 3HB ALA 72 3HB ALA 72 1.376 -4.122 8.150 388 H ARG 73 H ARG 73 -2.400 -5.619 8.136 389 HA ARG 73 HA ARG 73 -2.723 -7.189 10.474 390 1HB ARG 73 1HB ARG 73 -4.219 -5.369 9.621 391 2HB ARG 73 2HB ARG 73 -4.884 -6.495 8.429 392 1HG ARG 73 1HG ARG 73 -5.981 -7.761 10.070 393 2HG ARG 73 2HG ARG 73 -4.815 -7.325 11.328 394 1HD ARG 73 1HD ARG 73 -5.712 -4.925 11.195 395 2HD ARG 73 2HD ARG 73 -7.002 -5.559 10.166 396 HE ARG 73 HE ARG 73 -8.031 -6.445 11.957 397 1HH1 ARG 73 1HH1 ARG 73 -4.649 -5.805 12.942 398 2HH1 ARG 73 2HH1 ARG 73 -4.895 -6.406 14.547 399 1HH2 ARG 73 1HH2 ARG 73 -8.352 -6.894 14.255 400 2HH2 ARG 73 2HH2 ARG 73 -7.040 -6.625 15.369 401 H LEU 74 H LEU 74 -3.246 -8.120 7.007 402 HA LEU 74 HA LEU 74 -4.164 -10.718 7.486 403 1HB LEU 74 1HB LEU 74 -2.673 -9.257 5.278 404 2HB LEU 74 2HB LEU 74 -2.821 -10.992 5.165 405 HG LEU 74 HG LEU 74 -5.251 -9.226 5.618 406 1HD1 LEU 74 1HD1 LEU 74 -4.030 -10.122 2.971 407 2HD1 LEU 74 2HD1 LEU 74 -5.650 -9.428 3.170 408 3HD1 LEU 74 3HD1 LEU 74 -4.219 -8.452 3.558 409 1HD2 LEU 74 1HD2 LEU 74 -4.903 -12.036 4.468 410 2HD2 LEU 74 2HD2 LEU 74 -5.540 -11.656 6.081 411 3HD2 LEU 74 3HD2 LEU 74 -6.448 -11.194 4.650 412 H GLN 75 H GLN 75 -0.790 -9.515 7.125 413 HA GLN 75 HA GLN 75 0.458 -12.023 7.460 414 1HB GLN 75 1HB GLN 75 1.278 -9.551 6.857 415 2HB GLN 75 2HB GLN 75 1.612 -9.434 8.563 416 1HG GLN 75 1HG GLN 75 3.648 -10.073 7.515 417 2HG GLN 75 2HG GLN 75 3.055 -11.528 8.319 418 1HE2 GLN 75 2HE2 GLN 75 2.679 -9.851 5.085 419 2HE2 GLN 75 1HE2 GLN 75 2.913 -11.335 4.160 420 H GLU 76 H GLU 76 -0.714 -9.627 9.854 421 HA GLU 76 HA GLU 76 0.374 -10.857 12.152 422 1HB GLU 76 1HB GLU 76 -0.878 -8.504 11.468 423 2HB GLU 76 2HB GLU 76 -2.214 -9.301 12.216 424 1HG GLU 76 1HG GLU 76 -1.160 -9.196 14.355 425 2HG GLU 76 2HG GLU 76 0.459 -9.060 13.643 426 H SER 77 H SER 77 -2.549 -11.429 10.249 427 HA SER 77 HA SER 77 -3.432 -13.582 12.043 428 1HB SER 77 1HB SER 77 -4.712 -12.319 9.736 429 2HB SER 77 2HB SER 77 -5.433 -13.592 10.742 430 HG SER 77 HG SER 77 -4.810 -12.038 12.537 431 H GLY 78 H GLY 78 -0.975 -13.552 9.971 432 1HA GLY 78 1HA GLY 78 0.197 -15.430 9.304 433 2HA GLY 78 2HA GLY 78 -1.144 -16.441 9.851 434 H SER 79 H SER 79 -1.710 -13.843 7.617 435 HA SER 79 HA SER 79 -2.499 -15.867 5.547 436 1HB SER 79 1HB SER 79 -3.661 -13.129 6.126 437 2HB SER 79 2HB SER 79 -4.291 -14.311 4.967 438 HG SER 79 HG SER 79 -3.979 -14.933 7.724 439 HA PRO 80 HA PRO 80 0.319 -13.774 2.796 440 1HB PRO 80 1HB PRO 80 -0.903 -14.167 0.317 441 2HB PRO 80 2HB PRO 80 0.013 -15.403 1.183 442 1HG PRO 80 1HG PRO 80 -2.958 -14.974 1.091 443 2HG PRO 80 2HG PRO 80 -2.069 -16.523 1.010 444 1HD PRO 80 1HD PRO 80 -3.249 -15.664 3.309 445 2HD PRO 80 2HD PRO 80 -1.699 -16.554 3.325 446 H ILE 81 H ILE 81 0.421 -12.082 1.138 447 HA ILE 81 HA ILE 81 -1.806 -10.118 1.225 448 HB ILE 81 HB ILE 81 -0.121 -8.389 0.851 449 1HG1 ILE 81 1HG1 ILE 81 1.939 -10.624 1.219 450 2HG1 ILE 81 2HG1 ILE 81 1.681 -9.628 -0.215 451 1HG2 ILE 81 1HG2 ILE 81 -1.013 -9.128 3.113 452 2HG2 ILE 81 2HG2 ILE 81 0.505 -10.012 3.351 453 3HG2 ILE 81 3HG2 ILE 81 0.516 -8.250 3.131 454 1HD1 ILE 81 1HD1 ILE 81 2.265 -7.604 1.255 455 2HD1 ILE 81 2HD1 ILE 81 2.825 -8.780 2.462 456 3HD1 ILE 81 3HD1 ILE 81 3.589 -8.729 0.864 457 H ASP 82 H ASP 82 -1.621 -12.452 -0.456 458 HA ASP 82 HA ASP 82 -1.030 -11.663 -3.172 459 1HB ASP 82 1HB ASP 82 -1.471 -13.935 -3.196 460 2HB ASP 82 2HB ASP 82 -2.449 -13.863 -1.740 461 H LEU 83 H LEU 83 -2.451 -10.809 -4.719 462 HA LEU 83 HA LEU 83 -3.904 -8.588 -4.116 463 1HB LEU 83 1HB LEU 83 -3.120 -9.544 -6.369 464 2HB LEU 83 2HB LEU 83 -4.608 -10.446 -6.432 465 HG LEU 83 HG LEU 83 -4.846 -8.551 -7.797 466 1HD1 LEU 83 1HD1 LEU 83 -6.864 -8.915 -6.355 467 2HD1 LEU 83 2HD1 LEU 83 -6.326 -7.532 -5.379 468 3HD1 LEU 83 3HD1 LEU 83 -6.696 -7.307 -7.090 469 1HD2 LEU 83 1HD2 LEU 83 -2.959 -7.270 -6.740 470 2HD2 LEU 83 2HD2 LEU 83 -4.359 -6.280 -7.176 471 3HD2 LEU 83 3HD2 LEU 83 -4.083 -6.725 -5.482 472 H ILE 84 H ILE 84 -5.420 -11.926 -4.671 473 HA ILE 84 HA ILE 84 -7.996 -10.868 -4.387 474 HB ILE 84 HB ILE 84 -7.142 -13.718 -3.916 475 1HG1 ILE 84 1HG1 ILE 84 -5.767 -13.124 -5.823 476 2HG1 ILE 84 2HG1 ILE 84 -7.000 -14.228 -6.234 477 1HG2 ILE 84 1HG2 ILE 84 -9.522 -12.416 -5.325 478 2HG2 ILE 84 2HG2 ILE 84 -9.253 -14.162 -5.175 479 3HG2 ILE 84 3HG2 ILE 84 -9.536 -13.180 -3.728 480 1HD1 ILE 84 1HD1 ILE 84 -8.318 -12.379 -7.309 481 2HD1 ILE 84 2HD1 ILE 84 -7.014 -11.253 -6.852 482 3HD1 ILE 84 3HD1 ILE 84 -6.695 -12.564 -7.995 483 H THR 85 H THR 85 -5.760 -12.549 -2.173 484 HA THR 85 HA THR 85 -7.431 -12.778 0.041 485 HB THR 85 HB THR 85 -4.418 -12.324 0.075 486 HG1 THR 85 HG1 THR 85 -4.937 -13.999 -1.359 487 1HG2 THR 85 1HG2 THR 85 -6.289 -13.850 1.940 488 2HG2 THR 85 2HG2 THR 85 -4.522 -13.730 2.111 489 3HG2 THR 85 3HG2 THR 85 -5.517 -12.290 2.296 490 H LEU 86 H LEU 86 -5.243 -10.196 -0.840 491 HA LEU 86 HA LEU 86 -5.655 -8.379 1.308 492 1HB LEU 86 1HB LEU 86 -3.832 -8.214 -0.349 493 2HB LEU 86 2HB LEU 86 -4.974 -7.961 -1.636 494 HG LEU 86 HG LEU 86 -5.682 -5.790 -0.658 495 1HD1 LEU 86 1HD1 LEU 86 -3.467 -6.365 1.359 496 2HD1 LEU 86 2HD1 LEU 86 -4.237 -4.776 1.124 497 3HD1 LEU 86 3HD1 LEU 86 -5.191 -6.145 1.706 498 1HD2 LEU 86 1HD2 LEU 86 -3.938 -5.970 -2.392 499 2HD2 LEU 86 2HD2 LEU 86 -3.653 -4.601 -1.319 500 3HD2 LEU 86 3HD2 LEU 86 -2.698 -6.096 -1.137 501 H ALA 87 H ALA 87 -7.120 -8.498 -1.863 502 HA ALA 87 HA ALA 87 -8.955 -6.352 -1.565 503 1HB ALA 87 1HB ALA 87 -8.416 -7.450 -3.756 504 2HB ALA 87 2HB ALA 87 -9.322 -8.883 -3.237 505 3HB ALA 87 3HB ALA 87 -10.161 -7.335 -3.444 506 H GLU 88 H GLU 88 -9.410 -9.848 -0.986 507 HA GLU 88 HA GLU 88 -12.099 -9.688 -0.097 508 1HB GLU 88 1HB GLU 88 -9.868 -11.711 0.333 509 2HB GLU 88 2HB GLU 88 -11.517 -11.990 0.862 510 1HG GLU 88 1HG GLU 88 -11.032 -11.299 -2.043 511 2HG GLU 88 2HG GLU 88 -10.668 -12.918 -1.448 512 H SER 89 H SER 89 -9.028 -9.216 1.672 513 HA SER 89 HA SER 89 -10.336 -9.389 4.236 514 1HB SER 89 1HB SER 89 -7.932 -9.902 3.775 515 2HB SER 89 2HB SER 89 -7.629 -8.170 3.647 516 HG SER 89 HG SER 89 -8.172 -7.940 5.816 517 H LEU 90 H LEU 90 -9.210 -6.781 2.089 518 HA LEU 90 HA LEU 90 -10.166 -4.551 3.582 519 1HB LEU 90 1HB LEU 90 -9.777 -5.073 0.615 520 2HB LEU 90 2HB LEU 90 -10.486 -3.569 1.170 521 HG LEU 90 HG LEU 90 -7.775 -4.495 2.151 522 1HD1 LEU 90 1HD1 LEU 90 -8.451 -2.745 -0.220 523 2HD1 LEU 90 2HD1 LEU 90 -6.822 -2.950 0.476 524 3HD1 LEU 90 3HD1 LEU 90 -7.651 -4.332 -0.251 525 1HD2 LEU 90 1HD2 LEU 90 -9.088 -1.736 2.059 526 2HD2 LEU 90 2HD2 LEU 90 -8.890 -2.732 3.519 527 3HD2 LEU 90 3HD2 LEU 90 -7.465 -2.111 2.685 528 H GLU 91 H GLU 91 -11.919 -6.618 1.085 529 HA GLU 91 HA GLU 91 -14.311 -5.275 1.473 530 1HB GLU 91 1HB GLU 91 -13.380 -7.248 -0.275 531 2HB GLU 91 2HB GLU 91 -14.531 -8.158 0.723 532 1HG GLU 91 1HG GLU 91 -16.147 -6.244 0.363 533 2HG GLU 91 2HG GLU 91 -14.958 -5.538 -0.737 534 H ARG 92 H ARG 92 -12.989 -8.057 3.362 535 HA ARG 92 HA ARG 92 -15.380 -8.561 4.821 536 1HB ARG 92 1HB ARG 92 -12.454 -8.718 5.627 537 2HB ARG 92 2HB ARG 92 -13.724 -9.101 6.752 538 1HG ARG 92 1HG ARG 92 -13.616 -10.516 4.082 539 2HG ARG 92 2HG ARG 92 -12.558 -10.965 5.410 540 1HD ARG 92 1HD ARG 92 -14.416 -12.440 5.505 541 2HD ARG 92 2HD ARG 92 -14.538 -11.340 6.871 542 HE ARG 92 HE ARG 92 -16.488 -10.532 6.075 543 1HH1 ARG 92 1HH1 ARG 92 -14.918 -12.276 3.348 544 2HH1 ARG 92 2HH1 ARG 92 -16.226 -11.940 2.254 545 1HH2 ARG 92 1HH2 ARG 92 -18.269 -10.329 4.634 546 2HH2 ARG 92 2HH2 ARG 92 -18.223 -11.012 3.038 547 H GLN 93 H GLN 93 -12.855 -6.091 5.322 548 HA GLN 93 HA GLN 93 -14.350 -4.850 7.502 549 1HB GLN 93 1HB GLN 93 -12.044 -3.713 5.861 550 2HB GLN 93 2HB GLN 93 -12.713 -3.106 7.379 551 1HG GLN 93 1HG GLN 93 -12.130 -5.517 8.289 552 2HG GLN 93 2HG GLN 93 -11.037 -5.552 6.897 553 1HE2 GLN 93 2HE2 GLN 93 -8.968 -5.124 7.697 554 2HE2 GLN 93 1HE2 GLN 93 -8.645 -4.057 9.078 555 H GLY 94 H GLY 94 -14.971 -4.833 4.158 556 1HA GLY 94 1HA GLY 94 -16.283 -3.508 2.821 557 2HA GLY 94 2HA GLY 94 -16.786 -2.598 4.241 558 H GLN 95 H GLN 95 -13.341 -2.810 3.660 559 HA GLN 95 HA GLN 95 -13.292 0.114 3.037 560 1HB GLN 95 1HB GLN 95 -11.345 -1.789 4.361 561 2HB GLN 95 2HB GLN 95 -10.703 -0.433 3.462 562 1HG GLN 95 1HG GLN 95 -10.912 0.817 5.256 563 2HG GLN 95 2HG GLN 95 -12.636 0.856 4.964 564 1HE2 GLN 95 2HE2 GLN 95 -10.078 -1.214 6.580 565 2HE2 GLN 95 1HE2 GLN 95 -11.116 -1.648 7.911 566 H LEU 96 H LEU 96 -13.228 -2.784 1.347 567 HA LEU 96 HA LEU 96 -11.296 -2.266 -0.680 568 1HB LEU 96 1HB LEU 96 -12.462 -4.362 -0.478 569 2HB LEU 96 2HB LEU 96 -14.015 -3.587 -0.792 570 HG LEU 96 HG LEU 96 -12.006 -3.102 -2.936 571 1HD1 LEU 96 1HD1 LEU 96 -12.948 -5.950 -2.453 572 2HD1 LEU 96 2HD1 LEU 96 -12.098 -5.352 -3.892 573 3HD1 LEU 96 3HD1 LEU 96 -11.281 -5.351 -2.319 574 1HD2 LEU 96 1HD2 LEU 96 -14.450 -2.564 -3.110 575 2HD2 LEU 96 2HD2 LEU 96 -13.913 -3.702 -4.356 576 3HD2 LEU 96 3HD2 LEU 96 -14.820 -4.292 -2.960 577 H ASP 97 H ASP 97 -14.584 -0.960 -0.192 578 HA ASP 97 HA ASP 97 -14.752 0.618 -2.581 579 1HB ASP 97 1HB ASP 97 -16.621 0.031 -1.029 580 2HB ASP 97 2HB ASP 97 -15.939 1.111 0.190 581 H SER 98 H SER 98 -13.659 1.371 0.761 582 HA SER 98 HA SER 98 -12.834 3.991 0.419 583 1HB SER 98 1HB SER 98 -11.704 1.940 2.359 584 2HB SER 98 2HB SER 98 -11.836 3.688 2.569 585 HG SER 98 HG SER 98 -13.976 3.566 2.710 586 H VAL 99 H VAL 99 -11.292 1.348 -1.104 587 HA VAL 99 HA VAL 99 -8.871 3.041 -1.384 588 HB VAL 99 HB VAL 99 -7.523 1.163 -1.736 589 1HG1 VAL 99 1HG1 VAL 99 -8.200 1.823 0.639 590 2HG1 VAL 99 2HG1 VAL 99 -9.216 0.406 0.687 591 3HG1 VAL 99 3HG1 VAL 99 -7.483 0.204 0.457 592 1HG2 VAL 99 1HG2 VAL 99 -9.162 -0.322 -2.946 593 2HG2 VAL 99 2HG2 VAL 99 -8.190 -1.130 -1.720 594 3HG2 VAL 99 3HG2 VAL 99 -9.876 -0.711 -1.364 595 H GLY 100 H GLY 100 -11.668 2.214 -2.991 596 1HA GLY 100 1HA GLY 100 -12.018 3.289 -5.089 597 2HA GLY 100 2HA GLY 100 -10.385 2.870 -5.606 598 H GLY 101 H GLY 101 -11.959 0.208 -4.022 599 1HA GLY 101 1HA GLY 101 -13.256 -1.510 -4.821 600 2HA GLY 101 2HA GLY 101 -13.250 -0.833 -6.449 601 H PHE 102 H PHE 102 -12.887 -3.463 -6.380 602 HA PHE 102 HA PHE 102 -10.322 -4.508 -5.867 603 1HB PHE 102 1HB PHE 102 -12.455 -5.773 -6.261 604 2HB PHE 102 2HB PHE 102 -12.337 -5.405 -7.973 605 HD1 PHE 102 HD1 PHE 102 -10.326 -6.321 -9.298 606 HD2 PHE 102 HD2 PHE 102 -11.327 -7.618 -5.307 607 HE1 PHE 102 HE1 PHE 102 -8.899 -8.319 -9.582 608 HE2 PHE 102 HE2 PHE 102 -9.850 -9.600 -5.587 609 HZ PHE 102 HZ PHE 102 -8.600 -9.923 -7.720 610 H ALA 103 H ALA 103 -11.655 -2.983 -8.810 611 HA ALA 103 HA ALA 103 -9.576 -3.491 -10.568 612 1HB ALA 103 1HB ALA 103 -11.315 -0.990 -10.352 613 2HB ALA 103 2HB ALA 103 -10.351 -1.456 -11.772 614 3HB ALA 103 3HB ALA 103 -11.699 -2.471 -11.252 615 H TYR 104 H TYR 104 -9.656 -0.901 -8.035 616 HA TYR 104 HA TYR 104 -7.280 0.335 -9.077 617 1HB TYR 104 1HB TYR 104 -8.942 1.490 -7.584 618 2HB TYR 104 2HB TYR 104 -8.307 0.553 -6.232 619 HD1 TYR 104 HD1 TYR 104 -7.012 2.610 -9.120 620 HD2 TYR 104 HD2 TYR 104 -6.583 1.639 -4.948 621 HE1 TYR 104 HE1 TYR 104 -5.222 4.293 -8.930 622 HE2 TYR 104 HE2 TYR 104 -4.829 3.384 -4.730 623 HH TYR 104 HH TYR 104 -3.927 5.408 -5.871 624 H LEU 105 H LEU 105 -7.898 -2.259 -6.715 625 HA LEU 105 HA LEU 105 -5.178 -2.461 -5.762 626 1HB LEU 105 1HB LEU 105 -7.327 -4.615 -5.998 627 2HB LEU 105 2HB LEU 105 -5.800 -4.807 -5.154 628 HG LEU 105 HG LEU 105 -7.876 -2.694 -4.407 629 1HD1 LEU 105 1HD1 LEU 105 -8.755 -4.988 -4.101 630 2HD1 LEU 105 2HD1 LEU 105 -7.334 -5.385 -3.104 631 3HD1 LEU 105 3HD1 LEU 105 -8.501 -4.151 -2.566 632 1HD2 LEU 105 1HD2 LEU 105 -5.378 -3.741 -2.992 633 2HD2 LEU 105 2HD2 LEU 105 -5.627 -2.109 -3.646 634 3HD2 LEU 105 3HD2 LEU 105 -6.578 -2.659 -2.264 635 H ALA 106 H ALA 106 -6.938 -3.987 -8.491 636 HA ALA 106 HA ALA 106 -4.719 -5.559 -9.350 637 1HB ALA 106 1HB ALA 106 -7.070 -5.985 -9.993 638 2HB ALA 106 2HB ALA 106 -7.063 -4.505 -10.970 639 3HB ALA 106 3HB ALA 106 -5.986 -5.851 -11.396 640 H GLU 107 H GLU 107 -5.813 -2.315 -10.301 641 HA GLU 107 HA GLU 107 -3.934 -1.657 -12.287 642 1HB GLU 107 1HB GLU 107 -5.790 -0.226 -11.946 643 2HB GLU 107 2HB GLU 107 -5.545 -0.176 -10.229 644 1HG GLU 107 1HG GLU 107 -5.027 1.944 -10.802 645 2HG GLU 107 2HG GLU 107 -3.449 1.235 -10.591 646 H LEU 108 H LEU 108 -3.754 -1.085 -8.724 647 HA LEU 108 HA LEU 108 -1.124 -0.057 -8.637 648 1HB LEU 108 1HB LEU 108 -2.688 -1.724 -6.616 649 2HB LEU 108 2HB LEU 108 -1.126 -1.008 -6.257 650 HG LEU 108 HG LEU 108 -3.551 0.654 -7.084 651 1HD1 LEU 108 1HD1 LEU 108 -2.433 -0.002 -4.324 652 2HD1 LEU 108 2HD1 LEU 108 -3.726 1.169 -4.662 653 3HD1 LEU 108 3HD1 LEU 108 -3.997 -0.545 -4.983 654 1HD2 LEU 108 1HD2 LEU 108 -0.887 1.378 -5.833 655 2HD2 LEU 108 2HD2 LEU 108 -1.454 1.806 -7.468 656 3HD2 LEU 108 3HD2 LEU 108 -2.274 2.475 -6.048 657 H SER 109 H SER 109 -2.232 -3.436 -8.387 658 HA SER 109 HA SER 109 0.237 -4.683 -7.862 659 1HB SER 109 1HB SER 109 -2.190 -5.577 -7.895 660 2HB SER 109 2HB SER 109 -1.940 -5.885 -9.612 661 HG SER 109 HG SER 109 -0.172 -7.212 -9.050 662 H LYS 110 H LYS 110 -1.232 -3.763 -10.987 663 HA LYS 110 HA LYS 110 1.165 -4.778 -12.418 664 1HB LYS 110 1HB LYS 110 -1.577 -3.845 -13.225 665 2HB LYS 110 2HB LYS 110 -0.268 -3.665 -14.376 666 1HG LYS 110 1HG LYS 110 -1.218 -5.775 -14.868 667 2HG LYS 110 2HG LYS 110 0.326 -6.083 -14.093 668 1HD LYS 110 1HD LYS 110 -1.180 -7.672 -13.151 669 2HD LYS 110 2HD LYS 110 -0.969 -6.453 -11.909 670 1HE LYS 110 1HE LYS 110 -3.288 -6.788 -11.917 671 2HE LYS 110 2HE LYS 110 -3.077 -5.315 -12.873 672 1HZ LYS 110 1HZ LYS 110 -3.004 -7.087 -14.809 673 2HZ LYS 110 2HZ LYS 110 -3.840 -7.989 -13.740 674 3HZ LYS 110 3HZ LYS 110 -4.450 -6.543 -14.182 675 H ASN 111 H ASN 111 0.621 -1.975 -10.695 676 HA ASN 111 HA ASN 111 2.004 -0.208 -12.587 677 1HB ASN 111 1HB ASN 111 0.004 0.542 -11.203 678 2HB ASN 111 2HB ASN 111 1.034 0.403 -9.769 679 1HD2 ASN 111 2HD2 ASN 111 2.005 2.348 -9.191 680 2HD2 ASN 111 1HD2 ASN 111 2.163 3.710 -10.273 681 H THR 112 H THR 112 3.310 -2.564 -11.408 682 HA THR 112 HA THR 112 5.740 -1.159 -10.487 683 HB THR 112 HB THR 112 4.827 -3.798 -9.290 684 HG1 THR 112 HG1 THR 112 4.857 -1.899 -7.479 685 1HG2 THR 112 1HG2 THR 112 7.014 -1.836 -8.447 686 2HG2 THR 112 2HG2 THR 112 6.564 -3.311 -7.587 687 3HG2 THR 112 3HG2 THR 112 7.283 -3.426 -9.196 688 HA PRO 113 HA PRO 113 7.339 -3.930 -13.684 689 1HB PRO 113 1HB PRO 113 10.021 -3.523 -13.412 690 2HB PRO 113 2HB PRO 113 8.928 -2.288 -14.095 691 1HG PRO 113 1HG PRO 113 9.914 -2.494 -11.227 692 2HG PRO 113 2HG PRO 113 9.947 -1.068 -12.302 693 1HD PRO 113 1HD PRO 113 7.972 -1.483 -10.481 694 2HD PRO 113 2HD PRO 113 7.610 -0.756 -12.067 695 H SER 114 H SER 114 6.336 -5.613 -12.268 696 HA SER 114 HA SER 114 6.379 -7.452 -10.897 697 1HB SER 114 1HB SER 114 8.315 -9.041 -11.798 698 2HB SER 114 2HB SER 114 6.818 -8.696 -12.648 699 HG SER 114 HG SER 114 8.995 -8.501 -13.716 700 H ALA 115 H ALA 115 7.017 -5.776 -9.173 701 HA ALA 115 HA ALA 115 7.993 -5.185 -7.269 702 1HB ALA 115 1HB ALA 115 7.321 -7.455 -6.632 703 2HB ALA 115 2HB ALA 115 8.923 -8.058 -7.109 704 3HB ALA 115 3HB ALA 115 8.760 -6.914 -5.768 705 H ALA 116 H ALA 116 9.999 -5.471 -9.858 706 HA ALA 116 HA ALA 116 12.570 -5.459 -8.691 707 1HB ALA 116 1HB ALA 116 12.174 -5.624 -11.142 708 2HB ALA 116 2HB ALA 116 11.596 -3.944 -11.148 709 3HB ALA 116 3HB ALA 116 13.266 -4.286 -10.723 710 H ASN 117 H ASN 117 13.661 -3.989 -7.601 711 HA ASN 117 HA ASN 117 14.260 -2.135 -6.488 712 1HB ASN 117 1HB ASN 117 13.008 -0.791 -8.910 713 2HB ASN 117 2HB ASN 117 13.989 0.030 -7.707 714 1HD2 ASN 117 2HD2 ASN 117 15.989 0.477 -8.580 715 2HD2 ASN 117 1HD2 ASN 117 16.976 -0.766 -9.332 716 H ILE 118 H ILE 118 11.538 -3.298 -5.919 717 HA ILE 118 HA ILE 118 9.705 -1.346 -5.040 718 HB ILE 118 HB ILE 118 9.425 -3.786 -5.223 719 1HG1 ILE 118 1HG1 ILE 118 8.599 -2.443 -2.639 720 2HG1 ILE 118 2HG1 ILE 118 7.701 -2.594 -4.154 721 1HG2 ILE 118 1HG2 ILE 118 11.507 -4.573 -4.157 722 2HG2 ILE 118 2HG2 ILE 118 10.744 -4.242 -2.571 723 3HG2 ILE 118 3HG2 ILE 118 10.047 -5.411 -3.712 724 1HD1 ILE 118 1HD1 ILE 118 7.646 -5.120 -3.719 725 2HD1 ILE 118 2HD1 ILE 118 8.255 -4.748 -2.090 726 3HD1 ILE 118 3HD1 ILE 118 6.705 -4.101 -2.609 727 H SER 119 H SER 119 12.297 -2.839 -3.313 728 HA SER 119 HA SER 119 11.931 -1.315 -0.898 729 1HB SER 119 1HB SER 119 13.326 -3.407 -1.096 730 2HB SER 119 2HB SER 119 14.617 -2.408 -1.796 731 HG SER 119 HG SER 119 14.334 -2.850 0.690 732 H ALA 120 H ALA 120 13.662 -0.572 -3.842 733 HA ALA 120 HA ALA 120 14.899 1.862 -2.805 734 1HB ALA 120 1HB ALA 120 15.917 0.657 -4.701 735 2HB ALA 120 2HB ALA 120 14.491 1.021 -5.702 736 3HB ALA 120 3HB ALA 120 15.523 2.334 -5.118 737 H TYR 121 H TYR 121 11.741 1.089 -4.342 738 HA TYR 121 HA TYR 121 10.953 3.871 -4.603 739 1HB TYR 121 1HB TYR 121 9.407 1.243 -4.552 740 2HB TYR 121 2HB TYR 121 8.637 2.807 -4.568 741 HD1 TYR 121 HD1 TYR 121 9.532 4.487 -6.491 742 HD2 TYR 121 HD2 TYR 121 9.528 0.170 -6.665 743 HE1 TYR 121 HE1 TYR 121 9.571 4.582 -8.958 744 HE2 TYR 121 HE2 TYR 121 9.581 0.258 -9.123 745 HH TYR 121 HH TYR 121 9.210 1.803 -11.072 746 H ALA 122 H ALA 122 10.595 1.263 -2.147 747 HA ALA 122 HA ALA 122 9.050 2.810 -0.344 748 1HB ALA 122 1HB ALA 122 9.231 0.366 -0.211 749 2HB ALA 122 2HB ALA 122 10.937 0.500 0.270 750 3HB ALA 122 3HB ALA 122 9.658 1.119 1.334 751 H ASP 123 H ASP 123 12.591 2.643 -0.678 752 HA ASP 123 HA ASP 123 13.320 4.312 1.492 753 1HB ASP 123 1HB ASP 123 14.475 3.961 -1.297 754 2HB ASP 123 2HB ASP 123 15.122 5.153 -0.179 755 H ILE 124 H ILE 124 12.059 5.181 -1.764 756 HA ILE 124 HA ILE 124 12.321 8.019 -1.401 757 HB ILE 124 HB ILE 124 10.385 6.519 -3.224 758 1HG1 ILE 124 1HG1 ILE 124 13.070 7.794 -3.922 759 2HG1 ILE 124 2HG1 ILE 124 12.876 6.083 -3.603 760 1HG2 ILE 124 1HG2 ILE 124 9.712 8.878 -2.821 761 2HG2 ILE 124 2HG2 ILE 124 11.335 9.382 -3.351 762 3HG2 ILE 124 3HG2 ILE 124 10.205 8.604 -4.482 763 1HD1 ILE 124 1HD1 ILE 124 11.179 5.958 -5.473 764 2HD1 ILE 124 2HD1 ILE 124 11.635 7.623 -5.894 765 3HD1 ILE 124 3HD1 ILE 124 12.837 6.330 -5.970 766 H VAL 125 H VAL 125 9.613 5.699 -0.743 767 HA VAL 125 HA VAL 125 7.804 7.737 0.127 768 HB VAL 125 HB VAL 125 7.927 4.851 1.026 769 1HG1 VAL 125 1HG1 VAL 125 5.664 6.898 1.062 770 2HG1 VAL 125 2HG1 VAL 125 5.432 5.166 1.355 771 3HG1 VAL 125 3HG1 VAL 125 6.418 6.123 2.464 772 1HG2 VAL 125 1HG2 VAL 125 6.517 6.125 -1.363 773 2HG2 VAL 125 2HG2 VAL 125 7.774 4.880 -1.411 774 3HG2 VAL 125 3HG2 VAL 125 6.192 4.478 -0.768 775 H ARG 126 H ARG 126 10.173 5.746 2.003 776 HA ARG 126 HA ARG 126 9.634 6.902 4.551 777 1HB ARG 126 1HB ARG 126 11.168 4.952 4.146 778 2HB ARG 126 2HB ARG 126 12.329 6.047 3.416 779 1HG ARG 126 1HG ARG 126 13.069 5.634 5.600 780 2HG ARG 126 2HG ARG 126 12.491 7.294 5.616 781 1HD ARG 126 1HD ARG 126 10.505 5.210 6.398 782 2HD ARG 126 2HD ARG 126 11.891 5.330 7.472 783 HE ARG 126 HE ARG 126 9.595 6.970 7.315 784 1HH1 ARG 126 1HH1 ARG 126 13.101 7.300 8.011 785 2HH1 ARG 126 2HH1 ARG 126 12.860 8.442 9.275 786 1HH2 ARG 126 1HH2 ARG 126 9.316 8.464 8.967 787 2HH2 ARG 126 2HH2 ARG 126 10.667 9.181 9.799 788 H GLU 127 H GLU 127 11.846 8.026 1.923 789 HA GLU 127 HA GLU 127 12.750 10.351 3.183 790 1HB GLU 127 1HB GLU 127 13.306 9.275 0.810 791 2HB GLU 127 2HB GLU 127 12.045 10.348 0.235 792 1HG GLU 127 1HG GLU 127 13.905 11.630 -0.083 793 2HG GLU 127 2HG GLU 127 13.313 12.253 1.453 794 H ARG 128 H ARG 128 9.807 9.877 1.222 795 HA ARG 128 HA ARG 128 8.902 12.614 1.439 796 1HB ARG 128 1HB ARG 128 7.110 10.171 1.109 797 2HB ARG 128 2HB ARG 128 6.688 11.848 0.810 798 1HG ARG 128 1HG ARG 128 8.527 10.092 -0.830 799 2HG ARG 128 2HG ARG 128 7.016 10.820 -1.306 800 1HD ARG 128 1HD ARG 128 7.972 13.018 -1.346 801 2HD ARG 128 2HD ARG 128 9.472 12.470 -0.590 802 HE ARG 128 HE ARG 128 8.524 11.898 -3.340 803 1HH1 ARG 128 1HH1 ARG 128 11.232 11.861 -1.047 804 2HH1 ARG 128 2HH1 ARG 128 12.462 11.822 -2.277 805 1HH2 ARG 128 1HH2 ARG 128 10.140 11.887 -4.962 806 2HH2 ARG 128 2HH2 ARG 128 11.818 11.878 -4.556 807 H ALA 129 H ALA 129 8.416 9.839 3.644 808 HA ALA 129 HA ALA 129 6.643 11.249 5.404 809 1HB ALA 129 1HB ALA 129 6.972 8.772 5.340 810 2HB ALA 129 2HB ALA 129 8.563 8.989 6.089 811 3HB ALA 129 3HB ALA 129 7.101 9.471 6.968 812 H VAL 130 H VAL 130 10.226 10.887 5.344 813 HA VAL 130 HA VAL 130 10.729 12.399 7.720 814 HB VAL 130 HB VAL 130 12.437 11.887 5.243 815 1HG1 VAL 130 1HG1 VAL 130 13.202 13.062 7.945 816 2HG1 VAL 130 2HG1 VAL 130 14.364 12.477 6.729 817 3HG1 VAL 130 3HG1 VAL 130 13.327 13.857 6.362 818 1HG2 VAL 130 1HG2 VAL 130 11.813 9.843 6.552 819 2HG2 VAL 130 2HG2 VAL 130 13.531 10.184 6.656 820 3HG2 VAL 130 3HG2 VAL 130 12.448 10.596 8.010 821 H VAL 131 H VAL 131 10.493 13.381 4.281 822 HA VAL 131 HA VAL 131 10.791 16.182 4.846 823 HB VAL 131 HB VAL 131 9.504 14.738 2.504 824 1HG1 VAL 131 1HG1 VAL 131 10.284 17.665 2.839 825 2HG1 VAL 131 2HG1 VAL 131 9.940 16.930 1.274 826 3HG1 VAL 131 3HG1 VAL 131 8.661 17.032 2.493 827 1HG2 VAL 131 1HG2 VAL 131 12.010 14.350 2.887 828 2HG2 VAL 131 2HG2 VAL 131 11.603 15.118 1.358 829 3HG2 VAL 131 3HG2 VAL 131 12.237 16.088 2.709 830 H ARG 132 H ARG 132 7.945 14.010 5.051 831 HA ARG 132 HA ARG 132 6.047 16.092 5.133 832 1HB ARG 132 1HB ARG 132 5.476 13.674 4.923 833 2HB ARG 132 2HB ARG 132 5.932 13.397 6.596 834 1HG ARG 132 1HG ARG 132 3.790 15.398 5.888 835 2HG ARG 132 2HG ARG 132 3.444 13.673 5.992 836 1HD ARG 132 1HD ARG 132 4.898 14.594 8.374 837 2HD ARG 132 2HD ARG 132 3.479 15.584 8.060 838 HE ARG 132 HE ARG 132 2.072 13.755 8.269 839 1HH1 ARG 132 1HH1 ARG 132 5.471 12.722 8.882 840 2HH1 ARG 132 2HH1 ARG 132 4.999 11.219 9.562 841 1HH2 ARG 132 1HH2 ARG 132 1.498 11.831 9.311 842 2HH2 ARG 132 2HH2 ARG 132 2.687 10.782 9.985 843 H GLU 133 H GLU 133 8.043 14.820 7.708 844 HA GLU 133 HA GLU 133 6.841 16.652 9.677 845 1HB GLU 133 1HB GLU 133 8.575 15.867 11.227 846 2HB GLU 133 2HB GLU 133 7.580 14.596 10.514 847 1HG GLU 133 1HG GLU 133 9.362 13.924 9.027 848 2HG GLU 133 2HG GLU 133 10.420 15.209 9.666 849 H MET 134 H MET 134 9.876 16.419 7.877 850 HA MET 134 HA MET 134 10.512 19.271 8.537 851 1HB MET 134 1HB MET 134 12.255 16.870 7.909 852 2HB MET 134 2HB MET 134 12.875 18.525 7.860 853 1HG MET 134 1HG MET 134 11.573 17.262 10.294 854 2HG MET 134 2HG MET 134 13.308 17.401 10.011 855 1HE MET 134 1HE MET 134 12.068 18.363 12.650 856 2HE MET 134 2HE MET 134 13.783 18.649 12.287 857 3HE MET 134 3HE MET 134 12.767 19.978 12.891 858 H ILE 135 H ILE 135 8.718 19.476 6.767 859 HA ILE 135 HA ILE 135 9.294 19.274 4.068 860 HB ILE 135 HB ILE 135 7.587 20.995 3.741 861 1HG1 ILE 135 1HG1 ILE 135 7.739 21.529 6.745 862 2HG1 ILE 135 2HG1 ILE 135 8.314 22.608 5.468 863 1HG2 ILE 135 1HG2 ILE 135 6.811 18.755 4.301 864 2HG2 ILE 135 2HG2 ILE 135 6.869 19.130 6.040 865 3HG2 ILE 135 3HG2 ILE 135 5.722 19.956 4.986 866 1HD1 ILE 135 1HD1 ILE 135 5.896 22.568 4.568 867 2HD1 ILE 135 2HD1 ILE 135 5.467 21.931 6.174 868 3HD1 ILE 135 3HD1 ILE 135 6.277 23.505 6.018 869 H SER 136 H SER 136 9.723 21.048 2.454 870 HA SER 136 HA SER 136 11.525 23.171 3.493 871 1HB SER 136 1HB SER 136 12.720 23.215 1.436 872 2HB SER 136 2HB SER 136 12.787 21.565 2.065 873 HG SER 136 HG SER 136 11.331 22.634 -0.111 Start of MODEL 7 1 1H MET 23 1H MET 23 8.223 26.433 -2.391 2 2H MET 23 2H MET 23 9.485 25.453 -2.016 3 3H MET 23 3H MET 23 8.195 24.854 -2.856 4 HA MET 23 HA MET 23 7.994 24.080 -0.671 5 1HB MET 23 1HB MET 23 9.531 25.910 0.227 6 2HB MET 23 2HB MET 23 8.131 26.968 0.285 7 1HG MET 23 1HG MET 23 6.992 25.354 1.788 8 2HG MET 23 2HG MET 23 8.409 24.294 1.705 9 1HE MET 23 1HE MET 23 8.850 24.103 4.201 10 2HE MET 23 2HE MET 23 8.823 25.466 5.337 11 3HE MET 23 3HE MET 23 7.333 24.986 4.494 12 H LYS 24 H LYS 24 6.029 23.663 -1.996 13 HA LYS 24 HA LYS 24 3.808 24.795 -0.562 14 1HB LYS 24 1HB LYS 24 3.854 26.313 -2.594 15 2HB LYS 24 2HB LYS 24 3.641 24.873 -3.595 16 1HG LYS 24 1HG LYS 24 1.591 24.595 -1.728 17 2HG LYS 24 2HG LYS 24 1.681 26.340 -1.892 18 1HD LYS 24 1HD LYS 24 1.219 26.215 -4.260 19 2HD LYS 24 2HD LYS 24 1.486 24.456 -4.280 20 1HE LYS 24 1HE LYS 24 -0.461 24.098 -2.833 21 2HE LYS 24 2HE LYS 24 -0.761 25.837 -2.764 22 1HZ LYS 24 1HZ LYS 24 -0.753 24.338 -5.322 23 2HZ LYS 24 2HZ LYS 24 -2.111 24.564 -4.425 24 3HZ LYS 24 3HZ LYS 24 -1.314 25.855 -5.038 25 H VAL 25 H VAL 25 2.693 23.066 0.027 26 HA VAL 25 HA VAL 25 1.742 21.092 0.203 27 HB VAL 25 HB VAL 25 2.519 20.463 -2.656 28 1HG1 VAL 25 1HG1 VAL 25 1.680 18.483 -1.434 29 2HG1 VAL 25 2HG1 VAL 25 0.192 19.375 -1.029 30 3HG1 VAL 25 3HG1 VAL 25 0.582 18.982 -2.712 31 1HG2 VAL 25 1HG2 VAL 25 0.034 21.896 -1.641 32 2HG2 VAL 25 2HG2 VAL 25 1.266 22.528 -2.763 33 3HG2 VAL 25 3HG2 VAL 25 0.224 21.228 -3.281 34 HA PRO 26 HA PRO 26 5.365 18.665 1.415 35 1HB PRO 26 1HB PRO 26 4.187 16.188 1.859 36 2HB PRO 26 2HB PRO 26 4.102 17.557 3.012 37 1HG PRO 26 1HG PRO 26 2.063 16.774 0.899 38 2HG PRO 26 2HG PRO 26 1.772 17.113 2.632 39 1HD PRO 26 1HD PRO 26 1.346 19.033 0.842 40 2HD PRO 26 2HD PRO 26 2.220 19.439 2.338 41 HA PRO 27 HA PRO 27 6.323 17.255 -2.588 42 1HB PRO 27 1HB PRO 27 8.461 15.570 -2.250 43 2HB PRO 27 2HB PRO 27 8.538 17.345 -2.033 44 1HG PRO 27 1HG PRO 27 8.226 15.226 0.115 45 2HG PRO 27 2HG PRO 27 9.326 16.640 0.091 46 1HD PRO 27 1HD PRO 27 6.938 16.706 1.405 47 2HD PRO 27 2HD PRO 27 7.553 18.145 0.535 48 H HIS 28 H HIS 28 6.198 14.573 -0.266 49 HA HIS 28 HA HIS 28 5.642 12.419 -0.334 50 1HB HIS 28 1HB HIS 28 3.319 12.006 -0.945 51 2HB HIS 28 2HB HIS 28 3.530 13.471 -0.020 52 HD1 HIS 28 HD1 HIS 28 2.470 15.664 -1.129 53 HD2 HIS 28 HD2 HIS 28 2.948 12.384 -3.706 54 HE1 HIS 28 HE1 HIS 28 1.050 16.159 -3.170 55 H SER 29 H SER 29 4.572 10.560 -1.958 56 HA SER 29 HA SER 29 5.278 10.825 -4.761 57 1HB SER 29 1HB SER 29 6.898 8.974 -2.968 58 2HB SER 29 2HB SER 29 6.708 8.737 -4.718 59 HG SER 29 HG SER 29 7.485 11.252 -3.812 60 H ILE 30 H ILE 30 3.002 10.552 -4.821 61 HA ILE 30 HA ILE 30 1.434 8.443 -3.738 62 HB ILE 30 HB ILE 30 1.291 9.924 -6.423 63 1HG1 ILE 30 1HG1 ILE 30 1.239 11.596 -4.764 64 2HG1 ILE 30 2HG1 ILE 30 -0.370 11.443 -5.413 65 1HG2 ILE 30 1HG2 ILE 30 -0.210 7.955 -6.476 66 2HG2 ILE 30 2HG2 ILE 30 -1.119 8.638 -5.109 67 3HG2 ILE 30 3HG2 ILE 30 -1.032 9.496 -6.653 68 1HD1 ILE 30 1HD1 ILE 30 -1.002 10.052 -3.426 69 2HD1 ILE 30 2HD1 ILE 30 0.623 10.309 -2.759 70 3HD1 ILE 30 3HD1 ILE 30 -0.476 11.682 -2.983 71 H GLU 31 H GLU 31 3.072 8.723 -6.889 72 HA GLU 31 HA GLU 31 2.216 6.172 -7.795 73 1HB GLU 31 1HB GLU 31 4.258 8.189 -8.717 74 2HB GLU 31 2HB GLU 31 3.849 6.752 -9.644 75 1HG GLU 31 1HG GLU 31 1.520 7.444 -9.881 76 2HG GLU 31 2HG GLU 31 1.597 8.560 -8.565 77 H ALA 32 H ALA 32 5.161 7.180 -6.188 78 HA ALA 32 HA ALA 32 6.454 4.585 -6.308 79 1HB ALA 32 1HB ALA 32 7.650 6.694 -5.658 80 2HB ALA 32 2HB ALA 32 6.778 6.645 -4.101 81 3HB ALA 32 3HB ALA 32 7.891 5.343 -4.534 82 H GLU 33 H GLU 33 4.374 6.154 -3.809 83 HA GLU 33 HA GLU 33 4.121 4.006 -2.013 84 1HB GLU 33 1HB GLU 33 2.272 6.285 -2.799 85 2HB GLU 33 2HB GLU 33 1.722 5.021 -1.747 86 1HG GLU 33 1HG GLU 33 3.587 5.599 -0.164 87 2HG GLU 33 2HG GLU 33 3.993 6.950 -1.215 88 H GLN 34 H GLN 34 2.277 4.660 -5.017 89 HA GLN 34 HA GLN 34 0.525 2.481 -4.913 90 1HB GLN 34 1HB GLN 34 1.770 3.843 -7.350 91 2HB GLN 34 2HB GLN 34 0.611 2.550 -7.463 92 1HG GLN 34 1HG GLN 34 -0.917 4.012 -5.999 93 2HG GLN 34 2HG GLN 34 0.154 5.349 -6.425 94 1HE2 GLN 34 2HE2 GLN 34 -2.736 4.392 -7.197 95 2HE2 GLN 34 1HE2 GLN 34 -2.776 4.412 -8.942 96 H SER 35 H SER 35 3.673 2.665 -6.692 97 HA SER 35 HA SER 35 3.610 -0.067 -7.461 98 1HB SER 35 1HB SER 35 5.836 2.004 -7.363 99 2HB SER 35 2HB SER 35 5.970 0.417 -8.129 100 HG SER 35 HG SER 35 4.088 1.043 -9.435 101 H VAL 36 H VAL 36 4.843 1.410 -4.492 102 HA VAL 36 HA VAL 36 6.366 -0.901 -3.658 103 HB VAL 36 HB VAL 36 4.909 1.259 -2.062 104 1HG1 VAL 36 1HG1 VAL 36 6.731 -0.954 -1.010 105 2HG1 VAL 36 2HG1 VAL 36 6.221 0.474 -0.080 106 3HG1 VAL 36 3HG1 VAL 36 5.023 -0.710 -0.597 107 1HG2 VAL 36 1HG2 VAL 36 6.973 1.908 -3.363 108 2HG2 VAL 36 2HG2 VAL 36 7.121 2.132 -1.621 109 3HG2 VAL 36 3HG2 VAL 36 7.887 0.730 -2.410 110 H LEU 37 H LEU 37 2.967 0.059 -3.056 111 HA LEU 37 HA LEU 37 2.370 -2.340 -1.610 112 1HB LEU 37 1HB LEU 37 0.576 -0.353 -3.051 113 2HB LEU 37 2HB LEU 37 0.002 -1.587 -1.929 114 HG LEU 37 HG LEU 37 2.038 0.571 -1.158 115 1HD1 LEU 37 1HD1 LEU 37 -0.972 0.518 -0.869 116 2HD1 LEU 37 2HD1 LEU 37 0.131 1.655 -0.057 117 3HD1 LEU 37 3HD1 LEU 37 0.009 1.654 -1.830 118 1HD2 LEU 37 1HD2 LEU 37 0.357 -1.262 0.591 119 2HD2 LEU 37 2HD2 LEU 37 2.119 -1.341 0.359 120 3HD2 LEU 37 3HD2 LEU 37 1.409 0.061 1.139 121 H GLY 38 H GLY 38 1.927 -1.431 -5.019 122 1HA GLY 38 1HA GLY 38 0.720 -3.871 -5.921 123 2HA GLY 38 2HA GLY 38 1.725 -2.768 -6.873 124 H GLY 39 H GLY 39 4.211 -2.910 -5.426 125 1HA GLY 39 1HA GLY 39 5.342 -5.262 -6.453 126 2HA GLY 39 2HA GLY 39 6.071 -4.156 -5.277 127 H LEU 40 H LEU 40 4.035 -4.569 -3.210 128 HA LEU 40 HA LEU 40 5.012 -6.983 -1.983 129 1HB LEU 40 1HB LEU 40 2.571 -5.257 -1.396 130 2HB LEU 40 2HB LEU 40 3.101 -6.572 -0.367 131 HG LEU 40 HG LEU 40 4.771 -4.098 -1.001 132 1HD1 LEU 40 1HD1 LEU 40 2.754 -3.564 0.304 133 2HD1 LEU 40 2HD1 LEU 40 3.172 -4.806 1.484 134 3HD1 LEU 40 3HD1 LEU 40 4.213 -3.382 1.284 135 1HD2 LEU 40 1HD2 LEU 40 5.182 -6.431 0.903 136 2HD2 LEU 40 2HD2 LEU 40 6.225 -5.953 -0.455 137 3HD2 LEU 40 3HD2 LEU 40 6.107 -4.910 0.961 138 H MET 41 H MET 41 2.161 -6.321 -4.010 139 HA MET 41 HA MET 41 1.022 -8.974 -3.557 140 1HB MET 41 1HB MET 41 0.487 -7.030 -5.849 141 2HB MET 41 2HB MET 41 -0.475 -8.442 -5.414 142 1HG MET 41 1HG MET 41 -1.041 -7.400 -3.239 143 2HG MET 41 2HG MET 41 -0.060 -5.996 -3.664 144 1HE MET 41 1HE MET 41 -2.028 -4.336 -3.132 145 2HE MET 41 2HE MET 41 -1.039 -3.888 -4.537 146 3HE MET 41 3HE MET 41 -2.805 -3.715 -4.611 147 H LEU 42 H LEU 42 3.400 -7.546 -5.756 148 HA LEU 42 HA LEU 42 3.560 -9.807 -7.581 149 1HB LEU 42 1HB LEU 42 5.328 -7.445 -7.057 150 2HB LEU 42 2HB LEU 42 6.002 -8.881 -7.800 151 HG LEU 42 HG LEU 42 4.008 -8.775 -9.470 152 1HD1 LEU 42 1HD1 LEU 42 4.057 -5.911 -8.408 153 2HD1 LEU 42 2HD1 LEU 42 3.300 -6.423 -9.927 154 3HD1 LEU 42 3HD1 LEU 42 2.670 -7.013 -8.384 155 1HD2 LEU 42 1HD2 LEU 42 6.390 -8.356 -9.972 156 2HD2 LEU 42 2HD2 LEU 42 5.297 -7.327 -10.918 157 3HD2 LEU 42 3HD2 LEU 42 6.162 -6.650 -9.508 158 H ASP 43 H ASP 43 5.536 -8.771 -4.844 159 HA ASP 43 HA ASP 43 6.559 -11.540 -4.434 160 1HB ASP 43 1HB ASP 43 8.001 -10.361 -5.975 161 2HB ASP 43 2HB ASP 43 8.267 -9.056 -4.810 162 H ASN 44 H ASN 44 5.370 -11.665 -2.698 163 HA ASN 44 HA ASN 44 5.067 -9.727 -0.656 164 1HB ASN 44 1HB ASN 44 4.072 -11.503 0.738 165 2HB ASN 44 2HB ASN 44 3.380 -11.393 -0.880 166 1HD2 ASN 44 2HD2 ASN 44 3.864 -13.009 -2.404 167 2HD2 ASN 44 1HD2 ASN 44 4.484 -14.586 -1.908 168 H GLU 45 H GLU 45 7.789 -11.817 -1.148 169 HA GLU 45 HA GLU 45 8.689 -11.953 1.636 170 1HB GLU 45 1HB GLU 45 10.208 -12.072 -0.986 171 2HB GLU 45 2HB GLU 45 10.850 -12.538 0.597 172 1HG GLU 45 1HG GLU 45 9.184 -14.354 0.754 173 2HG GLU 45 2HG GLU 45 8.516 -13.908 -0.823 174 H ARG 46 H ARG 46 8.629 -9.519 -0.864 175 HA ARG 46 HA ARG 46 10.712 -7.886 0.302 176 1HB ARG 46 1HB ARG 46 8.402 -7.113 -1.532 177 2HB ARG 46 2HB ARG 46 9.830 -6.140 -1.204 178 1HG ARG 46 1HG ARG 46 10.015 -8.907 -2.484 179 2HG ARG 46 2HG ARG 46 9.797 -7.435 -3.412 180 1HD ARG 46 1HD ARG 46 11.887 -6.498 -2.408 181 2HD ARG 46 2HD ARG 46 12.105 -7.992 -1.503 182 HE ARG 46 HE ARG 46 11.853 -8.042 -4.474 183 1HH1 ARG 46 1HH1 ARG 46 13.628 -9.147 -1.676 184 2HH1 ARG 46 2HH1 ARG 46 14.994 -9.731 -2.553 185 1HH2 ARG 46 1HH2 ARG 46 13.359 -9.026 -5.633 186 2HH2 ARG 46 2HH2 ARG 46 14.815 -9.748 -4.990 187 H TRP 47 H TRP 47 7.567 -8.678 1.428 188 HA TRP 47 HA TRP 47 6.637 -6.312 2.641 189 1HB TRP 47 1HB TRP 47 5.407 -8.433 2.770 190 2HB TRP 47 2HB TRP 47 6.693 -9.147 3.744 191 HD1 TRP 47 HD1 TRP 47 6.865 -8.391 6.301 192 HE1 TRP 47 HE1 TRP 47 5.390 -7.008 7.877 193 HE3 TRP 47 HE3 TRP 47 3.606 -6.499 2.879 194 HZ2 TRP 47 HZ2 TRP 47 3.154 -5.227 7.663 195 HZ3 TRP 47 HZ3 TRP 47 1.867 -4.868 3.568 196 HH2 TRP 47 HH2 TRP 47 1.625 -4.231 5.945 197 H ASP 48 H ASP 48 9.173 -8.608 3.780 198 HA ASP 48 HA ASP 48 9.621 -7.063 6.206 199 1HB ASP 48 1HB ASP 48 10.880 -9.383 4.772 200 2HB ASP 48 2HB ASP 48 11.990 -8.439 5.747 201 H ASP 49 H ASP 49 10.773 -6.554 3.002 202 HA ASP 49 HA ASP 49 13.056 -4.925 3.976 203 1HB ASP 49 1HB ASP 49 12.852 -6.433 1.749 204 2HB ASP 49 2HB ASP 49 12.260 -4.914 1.076 205 H VAL 50 H VAL 50 9.937 -4.563 2.385 206 HA VAL 50 HA VAL 50 9.872 -1.701 2.190 207 HB VAL 50 HB VAL 50 7.826 -3.946 2.164 208 1HG1 VAL 50 1HG1 VAL 50 7.336 -0.978 1.652 209 2HG1 VAL 50 2HG1 VAL 50 6.197 -2.274 1.252 210 3HG1 VAL 50 3HG1 VAL 50 6.604 -1.962 2.939 211 1HG2 VAL 50 1HG2 VAL 50 9.354 -3.798 0.197 212 2HG2 VAL 50 2HG2 VAL 50 7.695 -3.380 -0.247 213 3HG2 VAL 50 3HG2 VAL 50 8.906 -2.099 -0.028 214 H ALA 51 H ALA 51 8.491 -4.001 4.699 215 HA ALA 51 HA ALA 51 7.499 -1.934 6.358 216 1HB ALA 51 1HB ALA 51 6.855 -4.311 6.585 217 2HB ALA 51 2HB ALA 51 8.496 -4.704 7.148 218 3HB ALA 51 3HB ALA 51 7.450 -3.644 8.118 219 H GLU 52 H GLU 52 10.747 -3.133 5.907 220 HA GLU 52 HA GLU 52 11.873 -1.789 8.161 221 1HB GLU 52 1HB GLU 52 12.857 -3.573 5.973 222 2HB GLU 52 2HB GLU 52 14.045 -2.469 6.616 223 1HG GLU 52 1HG GLU 52 12.314 -4.214 8.410 224 2HG GLU 52 2HG GLU 52 13.911 -4.664 7.818 225 H ARG 53 H ARG 53 10.713 -0.557 5.360 226 HA ARG 53 HA ARG 53 12.451 1.849 5.724 227 1HB ARG 53 1HB ARG 53 11.128 0.798 3.183 228 2HB ARG 53 2HB ARG 53 11.756 2.441 3.339 229 1HG ARG 53 1HG ARG 53 13.397 -0.114 3.583 230 2HG ARG 53 2HG ARG 53 13.335 0.948 2.172 231 1HD ARG 53 1HD ARG 53 14.254 2.825 3.497 232 2HD ARG 53 2HD ARG 53 14.315 1.817 4.942 233 HE ARG 53 HE ARG 53 16.148 1.851 2.732 234 1HH1 ARG 53 1HH1 ARG 53 14.877 -0.152 5.423 235 2HH1 ARG 53 2HH1 ARG 53 16.277 -1.135 5.559 236 1HH2 ARG 53 1HH2 ARG 53 17.934 0.437 2.780 237 2HH2 ARG 53 2HH2 ARG 53 18.019 -0.881 3.899 238 H VAL 54 H VAL 54 9.138 0.543 5.366 239 HA VAL 54 HA VAL 54 8.205 3.286 6.099 240 HB VAL 54 HB VAL 54 6.337 2.726 4.452 241 1HG1 VAL 54 1HG1 VAL 54 9.078 3.447 3.398 242 2HG1 VAL 54 2HG1 VAL 54 7.553 3.718 2.532 243 3HG1 VAL 54 3HG1 VAL 54 7.854 4.562 4.060 244 1HG2 VAL 54 1HG2 VAL 54 6.960 0.384 3.898 245 2HG2 VAL 54 2HG2 VAL 54 6.890 1.407 2.457 246 3HG2 VAL 54 3HG2 VAL 54 8.442 0.983 3.166 247 H VAL 55 H VAL 55 6.502 3.438 7.350 248 HA VAL 55 HA VAL 55 4.888 0.993 7.916 249 HB VAL 55 HB VAL 55 4.466 1.852 10.155 250 1HG1 VAL 55 1HG1 VAL 55 6.371 0.276 9.718 251 2HG1 VAL 55 2HG1 VAL 55 7.472 1.665 9.657 252 3HG1 VAL 55 3HG1 VAL 55 6.591 1.300 11.149 253 1HG2 VAL 55 1HG2 VAL 55 4.849 4.298 9.743 254 2HG2 VAL 55 2HG2 VAL 55 5.709 3.664 11.149 255 3HG2 VAL 55 3HG2 VAL 55 6.592 3.973 9.650 256 H ALA 56 H ALA 56 2.618 1.705 8.640 257 HA ALA 56 HA ALA 56 1.415 2.981 6.469 258 1HB ALA 56 1HB ALA 56 0.395 2.560 9.330 259 2HB ALA 56 2HB ALA 56 -0.635 2.973 7.954 260 3HB ALA 56 3HB ALA 56 0.228 1.424 7.972 261 H ASP 57 H ASP 57 2.711 4.509 9.412 262 HA ASP 57 HA ASP 57 1.232 6.964 9.047 263 1HB ASP 57 1HB ASP 57 3.798 6.416 10.581 264 2HB ASP 57 2HB ASP 57 2.888 7.934 10.622 265 H ASP 58 H ASP 58 4.184 5.695 7.593 266 HA ASP 58 HA ASP 58 5.269 8.241 6.774 267 1HB ASP 58 1HB ASP 58 5.840 5.390 5.875 268 2HB ASP 58 2HB ASP 58 6.737 6.812 5.418 269 H PHE 59 H PHE 59 3.164 5.725 5.467 270 HA PHE 59 HA PHE 59 2.799 6.777 2.789 271 1HB PHE 59 1HB PHE 59 1.339 4.815 4.584 272 2HB PHE 59 2HB PHE 59 0.524 5.458 3.168 273 HD1 PHE 59 HD1 PHE 59 3.590 3.606 4.249 274 HD2 PHE 59 HD2 PHE 59 0.973 4.673 1.003 275 HE1 PHE 59 HE1 PHE 59 4.868 2.157 2.724 276 HE2 PHE 59 HE2 PHE 59 2.166 3.071 -0.490 277 HZ PHE 59 HZ PHE 59 4.163 1.870 0.340 278 H TYR 60 H TYR 60 1.504 8.417 2.135 279 HA TYR 60 HA TYR 60 -0.112 9.798 4.245 280 1HB TYR 60 1HB TYR 60 1.576 11.128 2.981 281 2HB TYR 60 2HB TYR 60 0.712 10.778 1.481 282 HD1 TYR 60 HD1 TYR 60 0.291 12.175 4.909 283 HD2 TYR 60 HD2 TYR 60 -1.311 12.030 0.906 284 HE1 TYR 60 HE1 TYR 60 -1.474 13.737 5.587 285 HE2 TYR 60 HE2 TYR 60 -3.145 13.547 1.602 286 HH TYR 60 HH TYR 60 -3.687 14.236 4.957 287 H THR 61 H THR 61 -0.403 8.386 0.956 288 HA THR 61 HA THR 61 -2.955 9.506 0.518 289 HB THR 61 HB THR 61 -2.214 7.211 -0.983 290 HG1 THR 61 HG1 THR 61 -0.144 8.038 -0.840 291 1HG2 THR 61 1HG2 THR 61 -4.071 8.731 -1.629 292 2HG2 THR 61 2HG2 THR 61 -2.883 10.039 -1.808 293 3HG2 THR 61 3HG2 THR 61 -2.810 8.614 -2.872 294 H ARG 62 H ARG 62 -4.972 8.872 0.911 295 HA ARG 62 HA ARG 62 -5.507 7.112 2.920 296 1HB ARG 62 1HB ARG 62 -7.062 8.867 1.443 297 2HB ARG 62 2HB ARG 62 -7.761 7.329 0.978 298 1HG ARG 62 1HG ARG 62 -9.023 7.612 2.833 299 2HG ARG 62 2HG ARG 62 -7.633 6.925 3.678 300 1HD ARG 62 1HD ARG 62 -6.748 9.310 3.925 301 2HD ARG 62 2HD ARG 62 -8.290 9.888 3.285 302 HE ARG 62 HE ARG 62 -7.682 9.161 5.938 303 1HH1 ARG 62 1HH1 ARG 62 -10.448 8.994 3.662 304 2HH1 ARG 62 2HH1 ARG 62 -11.583 8.831 4.984 305 1HH2 ARG 62 1HH2 ARG 62 -9.302 8.933 7.605 306 2HH2 ARG 62 2HH2 ARG 62 -10.972 8.889 7.107 307 HA PRO 63 HA PRO 63 -6.921 3.506 0.220 308 1HB PRO 63 1HB PRO 63 -6.139 3.212 -2.403 309 2HB PRO 63 2HB PRO 63 -7.609 4.111 -1.921 310 1HG PRO 63 1HG PRO 63 -4.887 5.251 -2.571 311 2HG PRO 63 2HG PRO 63 -6.490 5.776 -3.157 312 1HD PRO 63 1HD PRO 63 -5.249 6.998 -1.081 313 2HD PRO 63 2HD PRO 63 -7.019 6.782 -1.084 314 H HIS 64 H HIS 64 -3.699 4.871 -0.479 315 HA HIS 64 HA HIS 64 -2.348 2.389 -0.802 316 1HB HIS 64 1HB HIS 64 -1.274 5.080 0.137 317 2HB HIS 64 2HB HIS 64 -0.335 3.754 -0.511 318 HD1 HIS 64 HD1 HIS 64 0.108 6.325 -1.890 319 HD2 HIS 64 HD2 HIS 64 -2.980 3.680 -2.953 320 HE1 HIS 64 HE1 HIS 64 -0.431 6.797 -4.373 321 H ARG 65 H ARG 65 -2.912 4.529 2.044 322 HA ARG 65 HA ARG 65 -1.377 2.981 3.858 323 1HB ARG 65 1HB ARG 65 -2.513 5.403 4.001 324 2HB ARG 65 2HB ARG 65 -3.813 4.507 4.786 325 1HG ARG 65 1HG ARG 65 -2.138 3.541 6.377 326 2HG ARG 65 2HG ARG 65 -0.843 4.406 5.538 327 1HD ARG 65 1HD ARG 65 -1.611 5.525 7.657 328 2HD ARG 65 2HD ARG 65 -1.717 6.521 6.196 329 HE ARG 65 HE ARG 65 -4.062 4.979 7.201 330 1HH1 ARG 65 1HH1 ARG 65 -2.626 8.190 6.553 331 2HH1 ARG 65 2HH1 ARG 65 -4.129 8.989 6.277 332 1HH2 ARG 65 1HH2 ARG 65 -6.121 6.087 6.960 333 2HH2 ARG 65 2HH2 ARG 65 -6.072 7.830 6.849 334 H HIS 66 H HIS 66 -4.930 3.023 3.306 335 HA HIS 66 HA HIS 66 -5.792 1.024 4.909 336 1HB HIS 66 1HB HIS 66 -6.409 1.880 2.058 337 2HB HIS 66 2HB HIS 66 -7.280 0.522 2.791 338 HD1 HIS 66 HD1 HIS 66 -7.453 4.229 2.656 339 HD2 HIS 66 HD2 HIS 66 -8.369 1.009 5.064 340 HE1 HIS 66 HE1 HIS 66 -9.316 5.094 4.175 341 H ILE 67 H ILE 67 -4.252 0.504 1.688 342 HA ILE 67 HA ILE 67 -4.507 -2.317 1.729 343 HB ILE 67 HB ILE 67 -2.549 -0.466 0.339 344 1HG1 ILE 67 1HG1 ILE 67 -4.847 -2.074 -0.815 345 2HG1 ILE 67 2HG1 ILE 67 -5.115 -0.475 -0.148 346 1HG2 ILE 67 1HG2 ILE 67 -2.893 -3.472 0.065 347 2HG2 ILE 67 2HG2 ILE 67 -2.100 -2.478 -1.177 348 3HG2 ILE 67 3HG2 ILE 67 -1.415 -2.601 0.439 349 1HD1 ILE 67 1HD1 ILE 67 -3.379 0.460 -1.699 350 2HD1 ILE 67 2HD1 ILE 67 -3.326 -1.138 -2.480 351 3HD1 ILE 67 3HD1 ILE 67 -4.826 -0.179 -2.488 352 H PHE 68 H PHE 68 -1.633 -0.266 2.689 353 HA PHE 68 HA PHE 68 -0.129 -2.501 3.526 354 1HB PHE 68 1HB PHE 68 0.682 -0.085 3.266 355 2HB PHE 68 2HB PHE 68 0.038 0.217 4.871 356 HD1 PHE 68 HD1 PHE 68 2.338 -2.069 2.957 357 HD2 PHE 68 HD2 PHE 68 1.407 -0.348 6.811 358 HE1 PHE 68 HE1 PHE 68 4.444 -2.973 3.874 359 HE2 PHE 68 HE2 PHE 68 3.525 -1.276 7.713 360 HZ PHE 68 HZ PHE 68 5.067 -2.547 6.236 361 H THR 69 H THR 69 -2.666 -0.710 5.264 362 HA THR 69 HA THR 69 -2.123 -1.943 7.839 363 HB THR 69 HB THR 69 -4.798 -0.838 6.880 364 HG1 THR 69 HG1 THR 69 -3.027 0.644 6.390 365 1HG2 THR 69 1HG2 THR 69 -4.661 -1.853 9.157 366 2HG2 THR 69 2HG2 THR 69 -3.391 -0.694 9.583 367 3HG2 THR 69 3HG2 THR 69 -5.030 -0.115 9.211 368 H GLU 70 H GLU 70 -4.415 -2.832 5.117 369 HA GLU 70 HA GLU 70 -5.362 -5.010 6.756 370 1HB GLU 70 1HB GLU 70 -6.446 -3.549 4.736 371 2HB GLU 70 2HB GLU 70 -5.850 -4.909 3.804 372 1HG GLU 70 1HG GLU 70 -8.143 -5.407 4.489 373 2HG GLU 70 2HG GLU 70 -7.112 -6.414 5.504 374 H MET 71 H MET 71 -2.846 -4.607 4.313 375 HA MET 71 HA MET 71 -2.203 -7.394 3.950 376 1HB MET 71 1HB MET 71 -0.517 -4.855 3.825 377 2HB MET 71 2HB MET 71 0.115 -6.474 3.520 378 1HG MET 71 1HG MET 71 -1.465 -6.757 1.651 379 2HG MET 71 2HG MET 71 -2.016 -5.093 1.872 380 1HE MET 71 1HE MET 71 -0.639 -6.681 -0.702 381 2HE MET 71 2HE MET 71 -1.237 -5.015 -0.937 382 3HE MET 71 3HE MET 71 0.410 -5.439 -1.406 383 H ALA 72 H ALA 72 -1.004 -4.847 6.247 384 HA ALA 72 HA ALA 72 0.711 -6.495 7.721 385 1HB ALA 72 1HB ALA 72 -0.929 -4.101 8.684 386 2HB ALA 72 2HB ALA 72 0.420 -4.845 9.557 387 3HB ALA 72 3HB ALA 72 0.708 -4.055 8.005 388 H ARG 73 H ARG 73 -2.787 -5.810 8.263 389 HA ARG 73 HA ARG 73 -3.009 -7.614 10.509 390 1HB ARG 73 1HB ARG 73 -5.153 -6.687 8.546 391 2HB ARG 73 2HB ARG 73 -5.457 -7.702 9.961 392 1HG ARG 73 1HG ARG 73 -4.348 -5.897 11.386 393 2HG ARG 73 2HG ARG 73 -4.416 -4.859 9.952 394 1HD ARG 73 1HD ARG 73 -6.958 -5.483 9.916 395 2HD ARG 73 2HD ARG 73 -6.687 -6.068 11.552 396 HE ARG 73 HE ARG 73 -6.143 -3.916 12.304 397 1HH1 ARG 73 1HH1 ARG 73 -7.396 -3.895 8.946 398 2HH1 ARG 73 2HH1 ARG 73 -7.607 -2.189 8.869 399 1HH2 ARG 73 1HH2 ARG 73 -6.060 -1.634 12.048 400 2HH2 ARG 73 2HH2 ARG 73 -6.923 -0.842 10.793 401 H LEU 74 H LEU 74 -3.452 -8.334 6.940 402 HA LEU 74 HA LEU 74 -4.266 -10.995 7.380 403 1HB LEU 74 1HB LEU 74 -2.915 -9.425 5.153 404 2HB LEU 74 2HB LEU 74 -3.021 -11.154 5.012 405 HG LEU 74 HG LEU 74 -5.463 -9.431 5.538 406 1HD1 LEU 74 1HD1 LEU 74 -4.268 -10.334 2.882 407 2HD1 LEU 74 2HD1 LEU 74 -5.894 -9.675 3.077 408 3HD1 LEU 74 3HD1 LEU 74 -4.485 -8.666 3.453 409 1HD2 LEU 74 1HD2 LEU 74 -5.139 -12.255 4.415 410 2HD2 LEU 74 2HD2 LEU 74 -5.764 -11.850 6.032 411 3HD2 LEU 74 3HD2 LEU 74 -6.680 -11.400 4.595 412 H GLN 75 H GLN 75 -1.013 -9.628 6.846 413 HA GLN 75 HA GLN 75 0.420 -12.025 7.092 414 1HB GLN 75 1HB GLN 75 1.158 -9.658 6.381 415 2HB GLN 75 2HB GLN 75 1.219 -9.218 8.058 416 1HG GLN 75 1HG GLN 75 3.455 -9.715 7.279 417 2HG GLN 75 2HG GLN 75 2.959 -10.873 8.512 418 1HE2 GLN 75 2HE2 GLN 75 3.966 -10.499 5.161 419 2HE2 GLN 75 1HE2 GLN 75 3.987 -12.218 4.807 420 H GLU 76 H GLU 76 -0.679 -9.732 9.521 421 HA GLU 76 HA GLU 76 0.441 -10.955 11.818 422 1HB GLU 76 1HB GLU 76 -0.784 -8.684 11.692 423 2HB GLU 76 2HB GLU 76 -2.278 -9.610 11.816 424 1HG GLU 76 1HG GLU 76 -1.924 -9.061 14.003 425 2HG GLU 76 2HG GLU 76 -1.159 -10.637 13.988 426 H SER 77 H SER 77 -2.545 -11.821 10.059 427 HA SER 77 HA SER 77 -3.100 -13.974 11.998 428 1HB SER 77 1HB SER 77 -4.769 -14.595 10.023 429 2HB SER 77 2HB SER 77 -5.100 -13.312 11.183 430 HG SER 77 HG SER 77 -3.826 -12.802 8.710 431 H GLY 78 H GLY 78 -0.806 -13.616 9.581 432 1HA GLY 78 1HA GLY 78 0.645 -15.074 8.605 433 2HA GLY 78 2HA GLY 78 -0.137 -16.428 9.432 434 H SER 79 H SER 79 -1.632 -13.985 7.303 435 HA SER 79 HA SER 79 -2.522 -16.129 5.437 436 1HB SER 79 1HB SER 79 -3.785 -13.416 6.008 437 2HB SER 79 2HB SER 79 -4.443 -14.698 4.980 438 HG SER 79 HG SER 79 -5.470 -14.848 6.915 439 HA PRO 80 HA PRO 80 0.007 -14.000 2.560 440 1HB PRO 80 1HB PRO 80 -1.275 -14.225 0.130 441 2HB PRO 80 2HB PRO 80 -0.462 -15.580 0.944 442 1HG PRO 80 1HG PRO 80 -3.383 -14.836 0.998 443 2HG PRO 80 2HG PRO 80 -2.676 -16.451 0.711 444 1HD PRO 80 1HD PRO 80 -3.625 -15.724 3.162 445 2HD PRO 80 2HD PRO 80 -2.139 -16.711 3.026 446 H ILE 81 H ILE 81 0.288 -12.127 1.378 447 HA ILE 81 HA ILE 81 -1.829 -10.062 1.640 448 HB ILE 81 HB ILE 81 -0.038 -8.438 1.415 449 1HG1 ILE 81 1HG1 ILE 81 1.902 -10.790 1.344 450 2HG1 ILE 81 2HG1 ILE 81 1.520 -9.724 -0.016 451 1HG2 ILE 81 1HG2 ILE 81 -0.734 -9.409 3.646 452 2HG2 ILE 81 2HG2 ILE 81 0.667 -10.491 3.567 453 3HG2 ILE 81 3HG2 ILE 81 0.899 -8.737 3.637 454 1HD1 ILE 81 1HD1 ILE 81 2.325 -7.778 1.402 455 2HD1 ILE 81 2HD1 ILE 81 2.955 -8.981 2.554 456 3HD1 ILE 81 3HD1 ILE 81 3.575 -8.933 0.896 457 H ASP 82 H ASP 82 -1.652 -12.274 -0.357 458 HA ASP 82 HA ASP 82 -1.018 -11.225 -2.927 459 1HB ASP 82 1HB ASP 82 -1.657 -13.677 -2.055 460 2HB ASP 82 2HB ASP 82 -3.268 -13.217 -2.589 461 H LEU 83 H LEU 83 -2.437 -10.609 -4.577 462 HA LEU 83 HA LEU 83 -4.014 -8.360 -4.010 463 1HB LEU 83 1HB LEU 83 -2.999 -8.478 -6.080 464 2HB LEU 83 2HB LEU 83 -3.538 -10.087 -6.422 465 HG LEU 83 HG LEU 83 -4.462 -7.994 -7.733 466 1HD1 LEU 83 1HD1 LEU 83 -4.912 -10.244 -8.256 467 2HD1 LEU 83 2HD1 LEU 83 -6.203 -10.276 -7.045 468 3HD1 LEU 83 3HD1 LEU 83 -6.304 -9.193 -8.472 469 1HD2 LEU 83 1HD2 LEU 83 -5.358 -6.887 -5.652 470 2HD2 LEU 83 2HD2 LEU 83 -6.372 -6.937 -7.107 471 3HD2 LEU 83 3HD2 LEU 83 -6.711 -8.035 -5.774 472 H ILE 84 H ILE 84 -5.390 -11.723 -4.976 473 HA ILE 84 HA ILE 84 -7.940 -10.853 -4.614 474 HB ILE 84 HB ILE 84 -6.905 -13.661 -4.223 475 1HG1 ILE 84 1HG1 ILE 84 -6.992 -14.006 -6.574 476 2HG1 ILE 84 2HG1 ILE 84 -7.226 -12.319 -6.953 477 1HG2 ILE 84 1HG2 ILE 84 -9.337 -13.242 -3.989 478 2HG2 ILE 84 2HG2 ILE 84 -9.369 -12.515 -5.612 479 3HG2 ILE 84 3HG2 ILE 84 -8.980 -14.232 -5.405 480 1HD1 ILE 84 1HD1 ILE 84 -4.735 -13.593 -5.707 481 2HD1 ILE 84 2HD1 ILE 84 -5.017 -13.461 -7.457 482 3HD1 ILE 84 3HD1 ILE 84 -4.824 -12.008 -6.506 483 H THR 85 H THR 85 -5.819 -12.548 -2.273 484 HA THR 85 HA THR 85 -7.784 -12.796 -0.309 485 HB THR 85 HB THR 85 -4.778 -12.673 0.138 486 HG1 THR 85 HG1 THR 85 -5.457 -15.122 0.069 487 1HG2 THR 85 1HG2 THR 85 -7.009 -14.047 1.728 488 2HG2 THR 85 2HG2 THR 85 -5.268 -14.127 2.085 489 3HG2 THR 85 3HG2 THR 85 -6.118 -12.597 2.239 490 H LEU 86 H LEU 86 -5.477 -10.242 -0.908 491 HA LEU 86 HA LEU 86 -5.940 -8.512 1.297 492 1HB LEU 86 1HB LEU 86 -4.097 -8.268 -0.290 493 2HB LEU 86 2HB LEU 86 -5.194 -8.073 -1.620 494 HG LEU 86 HG LEU 86 -6.001 -5.917 -0.716 495 1HD1 LEU 86 1HD1 LEU 86 -3.846 -6.402 1.382 496 2HD1 LEU 86 2HD1 LEU 86 -4.603 -4.821 1.079 497 3HD1 LEU 86 3HD1 LEU 86 -5.579 -6.172 1.666 498 1HD2 LEU 86 1HD2 LEU 86 -3.030 -6.213 -1.184 499 2HD2 LEU 86 2HD2 LEU 86 -4.282 -6.066 -2.422 500 3HD2 LEU 86 3HD2 LEU 86 -3.967 -4.699 -1.353 501 H ALA 87 H ALA 87 -7.337 -8.565 -1.903 502 HA ALA 87 HA ALA 87 -9.205 -6.423 -1.522 503 1HB ALA 87 1HB ALA 87 -8.468 -7.384 -3.759 504 2HB ALA 87 2HB ALA 87 -9.500 -8.783 -3.418 505 3HB ALA 87 3HB ALA 87 -10.223 -7.164 -3.568 506 H GLU 88 H GLU 88 -9.497 -9.950 -1.113 507 HA GLU 88 HA GLU 88 -12.233 -9.970 -0.352 508 1HB GLU 88 1HB GLU 88 -9.938 -11.898 -0.026 509 2HB GLU 88 2HB GLU 88 -11.428 -12.119 0.878 510 1HG GLU 88 1HG GLU 88 -12.686 -11.854 -1.362 511 2HG GLU 88 2HG GLU 88 -11.119 -12.001 -2.158 512 H SER 89 H SER 89 -9.234 -9.641 1.555 513 HA SER 89 HA SER 89 -10.524 -9.691 4.103 514 1HB SER 89 1HB SER 89 -8.022 -9.909 3.469 515 2HB SER 89 2HB SER 89 -7.980 -8.137 3.502 516 HG SER 89 HG SER 89 -7.531 -8.619 5.537 517 H LEU 90 H LEU 90 -9.576 -7.044 1.952 518 HA LEU 90 HA LEU 90 -10.497 -4.881 3.525 519 1HB LEU 90 1HB LEU 90 -10.081 -5.272 0.547 520 2HB LEU 90 2HB LEU 90 -10.636 -3.740 1.202 521 HG LEU 90 HG LEU 90 -8.090 -5.047 2.249 522 1HD1 LEU 90 1HD1 LEU 90 -8.378 -3.149 -0.077 523 2HD1 LEU 90 2HD1 LEU 90 -6.836 -3.645 0.662 524 3HD1 LEU 90 3HD1 LEU 90 -7.860 -4.839 -0.155 525 1HD2 LEU 90 1HD2 LEU 90 -9.110 -2.163 2.210 526 2HD2 LEU 90 2HD2 LEU 90 -8.934 -3.207 3.639 527 3HD2 LEU 90 3HD2 LEU 90 -7.502 -2.661 2.771 528 H GLU 91 H GLU 91 -12.305 -6.817 0.965 529 HA GLU 91 HA GLU 91 -14.635 -5.177 1.454 530 1HB GLU 91 1HB GLU 91 -15.937 -6.677 0.204 531 2HB GLU 91 2HB GLU 91 -14.422 -6.446 -0.657 532 1HG GLU 91 1HG GLU 91 -13.698 -8.624 -0.152 533 2HG GLU 91 2HG GLU 91 -14.903 -8.878 1.119 534 H ARG 92 H ARG 92 -13.482 -8.136 3.069 535 HA ARG 92 HA ARG 92 -15.911 -8.614 4.516 536 1HB ARG 92 1HB ARG 92 -13.114 -8.988 5.672 537 2HB ARG 92 2HB ARG 92 -14.615 -9.762 6.153 538 1HG ARG 92 1HG ARG 92 -14.211 -10.473 3.420 539 2HG ARG 92 2HG ARG 92 -12.641 -10.598 4.219 540 1HD ARG 92 1HD ARG 92 -13.702 -12.739 4.399 541 2HD ARG 92 2HD ARG 92 -13.663 -12.010 6.003 542 HE ARG 92 HE ARG 92 -15.923 -11.969 6.060 543 1HH1 ARG 92 1HH1 ARG 92 -14.955 -12.500 2.655 544 2HH1 ARG 92 2HH1 ARG 92 -16.566 -12.417 2.033 545 1HH2 ARG 92 1HH2 ARG 92 -18.079 -11.886 5.207 546 2HH2 ARG 92 2HH2 ARG 92 -18.374 -12.135 3.523 547 H GLN 93 H GLN 93 -13.100 -6.562 5.127 548 HA GLN 93 HA GLN 93 -14.099 -5.337 7.541 549 1HB GLN 93 1HB GLN 93 -11.875 -4.678 5.565 550 2HB GLN 93 2HB GLN 93 -12.136 -3.785 7.049 551 1HG GLN 93 1HG GLN 93 -11.909 -6.755 7.399 552 2HG GLN 93 2HG GLN 93 -10.470 -5.946 6.807 553 1HE2 GLN 93 2HE2 GLN 93 -9.678 -4.075 8.043 554 2HE2 GLN 93 1HE2 GLN 93 -9.954 -3.939 9.779 555 H GLY 94 H GLY 94 -15.134 -4.903 4.268 556 1HA GLY 94 1HA GLY 94 -16.485 -3.329 3.324 557 2HA GLY 94 2HA GLY 94 -16.649 -2.542 4.896 558 H GLN 95 H GLN 95 -13.435 -3.027 3.832 559 HA GLN 95 HA GLN 95 -12.949 -0.121 3.544 560 1HB GLN 95 1HB GLN 95 -11.152 -2.547 3.947 561 2HB GLN 95 2HB GLN 95 -10.549 -0.895 3.817 562 1HG GLN 95 1HG GLN 95 -12.509 -1.703 5.994 563 2HG GLN 95 2HG GLN 95 -10.776 -1.941 6.150 564 1HE2 GLN 95 2HE2 GLN 95 -9.606 -0.263 7.024 565 2HE2 GLN 95 1HE2 GLN 95 -10.195 1.392 7.113 566 H LEU 96 H LEU 96 -13.662 -2.676 1.435 567 HA LEU 96 HA LEU 96 -11.588 -2.468 -0.507 568 1HB LEU 96 1HB LEU 96 -13.242 -4.298 -0.435 569 2HB LEU 96 2HB LEU 96 -14.473 -3.168 -1.023 570 HG LEU 96 HG LEU 96 -13.044 -2.760 -3.061 571 1HD1 LEU 96 1HD1 LEU 96 -11.322 -4.969 -1.853 572 2HD1 LEU 96 2HD1 LEU 96 -11.266 -4.505 -3.561 573 3HD1 LEU 96 3HD1 LEU 96 -10.803 -3.335 -2.332 574 1HD2 LEU 96 1HD2 LEU 96 -14.878 -4.439 -3.003 575 2HD2 LEU 96 2HD2 LEU 96 -13.595 -4.824 -4.162 576 3HD2 LEU 96 3HD2 LEU 96 -13.671 -5.683 -2.613 577 H ASP 97 H ASP 97 -14.673 -0.735 -0.095 578 HA ASP 97 HA ASP 97 -14.340 0.983 -2.364 579 1HB ASP 97 1HB ASP 97 -16.244 0.629 -0.173 580 2HB ASP 97 2HB ASP 97 -15.900 2.331 -0.399 581 H SER 98 H SER 98 -12.977 1.134 0.869 582 HA SER 98 HA SER 98 -12.168 3.934 0.741 583 1HB SER 98 1HB SER 98 -11.408 1.610 2.547 584 2HB SER 98 2HB SER 98 -10.612 3.176 2.595 585 HG SER 98 HG SER 98 -13.439 3.013 2.755 586 H VAL 99 H VAL 99 -10.767 0.802 -0.367 587 HA VAL 99 HA VAL 99 -8.244 2.178 -0.974 588 HB VAL 99 HB VAL 99 -7.424 0.074 -1.791 589 1HG1 VAL 99 1HG1 VAL 99 -8.782 -0.084 0.949 590 2HG1 VAL 99 2HG1 VAL 99 -7.434 -1.099 0.404 591 3HG1 VAL 99 3HG1 VAL 99 -7.216 0.636 0.532 592 1HG2 VAL 99 1HG2 VAL 99 -9.677 -0.802 -2.642 593 2HG2 VAL 99 2HG2 VAL 99 -8.639 -1.945 -1.825 594 3HG2 VAL 99 3HG2 VAL 99 -9.992 -1.238 -0.938 595 H GLY 100 H GLY 100 -11.236 2.172 -2.462 596 1HA GLY 100 1HA GLY 100 -11.610 3.333 -4.483 597 2HA GLY 100 2HA GLY 100 -9.969 2.962 -5.023 598 H GLY 101 H GLY 101 -11.590 0.208 -3.697 599 1HA GLY 101 1HA GLY 101 -13.063 -1.320 -4.655 600 2HA GLY 101 2HA GLY 101 -12.836 -0.586 -6.244 601 H PHE 102 H PHE 102 -12.744 -3.315 -6.042 602 HA PHE 102 HA PHE 102 -10.177 -4.471 -5.709 603 1HB PHE 102 1HB PHE 102 -12.345 -5.706 -6.066 604 2HB PHE 102 2HB PHE 102 -12.249 -5.315 -7.774 605 HD1 PHE 102 HD1 PHE 102 -9.916 -6.058 -8.980 606 HD2 PHE 102 HD2 PHE 102 -11.488 -7.768 -5.340 607 HE1 PHE 102 HE1 PHE 102 -8.254 -7.873 -9.098 608 HE2 PHE 102 HE2 PHE 102 -9.864 -9.620 -5.520 609 HZ PHE 102 HZ PHE 102 -8.128 -9.583 -7.322 610 H ALA 103 H ALA 103 -11.622 -2.866 -8.577 611 HA ALA 103 HA ALA 103 -9.475 -3.347 -10.338 612 1HB ALA 103 1HB ALA 103 -11.685 -2.606 -11.069 613 2HB ALA 103 2HB ALA 103 -11.448 -1.029 -10.274 614 3HB ALA 103 3HB ALA 103 -10.441 -1.497 -11.664 615 H TYR 104 H TYR 104 -9.419 -1.215 -7.557 616 HA TYR 104 HA TYR 104 -7.214 0.395 -8.683 617 1HB TYR 104 1HB TYR 104 -8.922 1.213 -6.914 618 2HB TYR 104 2HB TYR 104 -8.018 0.240 -5.766 619 HD1 TYR 104 HD1 TYR 104 -7.708 2.969 -8.330 620 HD2 TYR 104 HD2 TYR 104 -5.994 1.157 -4.811 621 HE1 TYR 104 HE1 TYR 104 -6.157 4.860 -8.126 622 HE2 TYR 104 HE2 TYR 104 -4.420 3.068 -4.608 623 HH TYR 104 HH TYR 104 -4.465 5.860 -6.862 624 H LEU 105 H LEU 105 -7.741 -2.242 -6.304 625 HA LEU 105 HA LEU 105 -5.003 -2.649 -5.629 626 1HB LEU 105 1HB LEU 105 -7.222 -4.736 -5.778 627 2HB LEU 105 2HB LEU 105 -5.713 -4.861 -4.875 628 HG LEU 105 HG LEU 105 -7.890 -2.806 -4.297 629 1HD1 LEU 105 1HD1 LEU 105 -7.191 -5.408 -2.890 630 2HD1 LEU 105 2HD1 LEU 105 -8.392 -4.207 -2.352 631 3HD1 LEU 105 3HD1 LEU 105 -8.646 -5.076 -3.862 632 1HD2 LEU 105 1HD2 LEU 105 -5.288 -3.548 -2.896 633 2HD2 LEU 105 2HD2 LEU 105 -5.743 -1.977 -3.592 634 3HD2 LEU 105 3HD2 LEU 105 -6.570 -2.577 -2.151 635 H ALA 106 H ALA 106 -7.017 -4.154 -8.151 636 HA ALA 106 HA ALA 106 -5.093 -5.857 -9.307 637 1HB ALA 106 1HB ALA 106 -7.412 -4.316 -10.552 638 2HB ALA 106 2HB ALA 106 -6.519 -5.620 -11.361 639 3HB ALA 106 3HB ALA 106 -7.457 -5.959 -9.895 640 H GLU 107 H GLU 107 -5.856 -2.442 -9.959 641 HA GLU 107 HA GLU 107 -4.019 -2.092 -12.126 642 1HB GLU 107 1HB GLU 107 -5.895 -0.524 -11.668 643 2HB GLU 107 2HB GLU 107 -5.097 0.009 -10.190 644 1HG GLU 107 1HG GLU 107 -4.685 1.631 -11.901 645 2HG GLU 107 2HG GLU 107 -3.158 0.829 -11.559 646 H LEU 108 H LEU 108 -3.696 -1.429 -8.610 647 HA LEU 108 HA LEU 108 -1.082 -0.387 -8.648 648 1HB LEU 108 1HB LEU 108 -2.471 -2.083 -6.540 649 2HB LEU 108 2HB LEU 108 -0.927 -1.280 -6.282 650 HG LEU 108 HG LEU 108 -3.517 0.198 -6.955 651 1HD1 LEU 108 1HD1 LEU 108 -2.050 -0.211 -4.322 652 2HD1 LEU 108 2HD1 LEU 108 -3.462 0.839 -4.572 653 3HD1 LEU 108 3HD1 LEU 108 -3.626 -0.910 -4.782 654 1HD2 LEU 108 1HD2 LEU 108 -0.786 1.157 -6.103 655 2HD2 LEU 108 2HD2 LEU 108 -1.610 1.502 -7.648 656 3HD2 LEU 108 3HD2 LEU 108 -2.257 2.167 -6.146 657 H SER 109 H SER 109 -2.102 -3.779 -8.284 658 HA SER 109 HA SER 109 0.463 -4.974 -8.104 659 1HB SER 109 1HB SER 109 -1.720 -6.097 -7.681 660 2HB SER 109 2HB SER 109 -2.085 -6.045 -9.409 661 HG SER 109 HG SER 109 -1.199 -8.048 -8.664 662 H LYS 110 H LYS 110 -1.604 -4.345 -10.972 663 HA LYS 110 HA LYS 110 0.389 -5.110 -12.931 664 1HB LYS 110 1HB LYS 110 -2.242 -3.576 -13.138 665 2HB LYS 110 2HB LYS 110 -1.352 -4.238 -14.514 666 1HG LYS 110 1HG LYS 110 -1.726 -6.500 -13.823 667 2HG LYS 110 2HG LYS 110 -2.327 -6.033 -12.245 668 1HD LYS 110 1HD LYS 110 -4.270 -4.901 -13.270 669 2HD LYS 110 2HD LYS 110 -3.734 -5.415 -14.873 670 1HE LYS 110 1HE LYS 110 -4.298 -7.288 -12.533 671 2HE LYS 110 2HE LYS 110 -5.493 -6.898 -13.774 672 1HZ LYS 110 1HZ LYS 110 -2.888 -8.212 -14.310 673 2HZ LYS 110 2HZ LYS 110 -4.300 -8.982 -14.167 674 3HZ LYS 110 3HZ LYS 110 -4.078 -7.912 -15.416 675 H ASN 111 H ASN 111 0.466 -2.440 -10.997 676 HA ASN 111 HA ASN 111 1.738 -0.688 -13.050 677 1HB ASN 111 1HB ASN 111 -0.400 0.214 -12.261 678 2HB ASN 111 2HB ASN 111 0.123 0.028 -10.580 679 1HD2 ASN 111 2HD2 ASN 111 0.908 1.883 -9.673 680 2HD2 ASN 111 1HD2 ASN 111 1.642 3.192 -10.585 681 H THR 112 H THR 112 3.052 -2.832 -11.807 682 HA THR 112 HA THR 112 5.070 -1.270 -10.336 683 HB THR 112 HB THR 112 4.289 -4.045 -9.476 684 HG1 THR 112 HG1 THR 112 2.725 -2.467 -8.892 685 1HG2 THR 112 1HG2 THR 112 6.213 -1.918 -8.395 686 2HG2 THR 112 2HG2 THR 112 5.872 -3.461 -7.619 687 3HG2 THR 112 3HG2 THR 112 6.684 -3.434 -9.179 688 HA PRO 113 HA PRO 113 7.196 -3.378 -13.722 689 1HB PRO 113 1HB PRO 113 9.571 -2.047 -13.606 690 2HB PRO 113 2HB PRO 113 8.092 -1.361 -14.324 691 1HG PRO 113 1HG PRO 113 9.230 -0.870 -11.579 692 2HG PRO 113 2HG PRO 113 8.560 0.322 -12.732 693 1HD PRO 113 1HD PRO 113 7.134 -0.739 -10.631 694 2HD PRO 113 2HD PRO 113 6.357 -0.245 -12.162 695 H SER 114 H SER 114 7.139 -5.320 -12.654 696 HA SER 114 HA SER 114 7.831 -7.197 -11.688 697 1HB SER 114 1HB SER 114 10.655 -6.179 -12.109 698 2HB SER 114 2HB SER 114 10.066 -7.841 -12.218 699 HG SER 114 HG SER 114 10.479 -6.893 -14.209 700 H ALA 115 H ALA 115 8.002 -4.652 -9.785 701 HA ALA 115 HA ALA 115 8.553 -4.115 -7.676 702 1HB ALA 115 1HB ALA 115 7.354 -6.211 -7.089 703 2HB ALA 115 2HB ALA 115 8.899 -7.086 -7.131 704 3HB ALA 115 3HB ALA 115 8.642 -5.804 -5.943 705 H ALA 116 H ALA 116 10.735 -4.828 -9.842 706 HA ALA 116 HA ALA 116 13.043 -5.694 -8.474 707 1HB ALA 116 1HB ALA 116 12.737 -5.881 -10.896 708 2HB ALA 116 2HB ALA 116 12.747 -4.106 -11.059 709 3HB ALA 116 3HB ALA 116 14.211 -4.970 -10.539 710 H ASN 117 H ASN 117 11.554 -2.619 -8.215 711 HA ASN 117 HA ASN 117 14.007 -1.540 -6.904 712 1HB ASN 117 1HB ASN 117 12.223 -0.193 -8.932 713 2HB ASN 117 2HB ASN 117 12.917 0.773 -7.644 714 1HD2 ASN 117 2HD2 ASN 117 13.583 -0.363 -10.741 715 2HD2 ASN 117 1HD2 ASN 117 15.336 -0.180 -10.686 716 H ILE 118 H ILE 118 11.340 -2.976 -6.037 717 HA ILE 118 HA ILE 118 9.629 -1.159 -4.852 718 HB ILE 118 HB ILE 118 9.423 -3.627 -5.177 719 1HG1 ILE 118 1HG1 ILE 118 8.539 -2.383 -2.566 720 2HG1 ILE 118 2HG1 ILE 118 7.670 -2.513 -4.100 721 1HG2 ILE 118 1HG2 ILE 118 11.564 -4.332 -4.089 722 2HG2 ILE 118 2HG2 ILE 118 10.743 -4.107 -2.514 723 3HG2 ILE 118 3HG2 ILE 118 10.139 -5.269 -3.709 724 1HD1 ILE 118 1HD1 ILE 118 7.637 -5.030 -3.773 725 2HD1 ILE 118 2HD1 ILE 118 8.283 -4.749 -2.145 726 3HD1 ILE 118 3HD1 ILE 118 6.709 -4.095 -2.575 727 H SER 119 H SER 119 12.360 -2.676 -3.382 728 HA SER 119 HA SER 119 12.282 -1.446 -0.838 729 1HB SER 119 1HB SER 119 13.776 -3.349 -1.443 730 2HB SER 119 2HB SER 119 14.734 -2.260 -2.464 731 HG SER 119 HG SER 119 14.711 -2.625 0.271 732 H ALA 120 H ALA 120 13.593 -0.190 -3.828 733 HA ALA 120 HA ALA 120 14.864 2.157 -2.603 734 1HB ALA 120 1HB ALA 120 15.692 1.217 -4.776 735 2HB ALA 120 2HB ALA 120 14.152 1.678 -5.534 736 3HB ALA 120 3HB ALA 120 15.225 2.924 -4.879 737 H TYR 121 H TYR 121 11.757 1.390 -4.297 738 HA TYR 121 HA TYR 121 10.778 4.064 -4.322 739 1HB TYR 121 1HB TYR 121 9.293 1.410 -4.149 740 2HB TYR 121 2HB TYR 121 8.585 2.961 -4.555 741 HD1 TYR 121 HD1 TYR 121 11.270 3.552 -6.434 742 HD2 TYR 121 HD2 TYR 121 8.169 0.551 -6.154 743 HE1 TYR 121 HE1 TYR 121 11.476 3.127 -8.828 744 HE2 TYR 121 HE2 TYR 121 8.360 0.132 -8.584 745 HH TYR 121 HH TYR 121 9.943 2.337 -10.632 746 H ALA 122 H ALA 122 10.455 1.389 -1.937 747 HA ALA 122 HA ALA 122 8.813 2.809 -0.083 748 1HB ALA 122 1HB ALA 122 10.824 0.519 0.261 749 2HB ALA 122 2HB ALA 122 9.656 1.031 1.476 750 3HB ALA 122 3HB ALA 122 9.079 0.360 -0.058 751 H ASP 123 H ASP 123 12.384 2.465 -0.273 752 HA ASP 123 HA ASP 123 13.004 3.999 2.010 753 1HB ASP 123 1HB ASP 123 14.501 2.557 0.489 754 2HB ASP 123 2HB ASP 123 14.618 3.954 -0.576 755 H ILE 124 H ILE 124 12.526 5.056 -1.380 756 HA ILE 124 HA ILE 124 12.838 7.841 -0.890 757 HB ILE 124 HB ILE 124 11.346 6.328 -3.062 758 1HG1 ILE 124 1HG1 ILE 124 13.910 7.938 -3.337 759 2HG1 ILE 124 2HG1 ILE 124 13.972 6.272 -2.788 760 1HG2 ILE 124 1HG2 ILE 124 11.910 9.320 -2.843 761 2HG2 ILE 124 2HG2 ILE 124 11.414 8.517 -4.341 762 3HG2 ILE 124 3HG2 ILE 124 10.318 8.538 -2.964 763 1HD1 ILE 124 1HD1 ILE 124 12.813 5.552 -4.886 764 2HD1 ILE 124 2HD1 ILE 124 12.908 7.232 -5.468 765 3HD1 ILE 124 3HD1 ILE 124 14.389 6.317 -5.148 766 H VAL 125 H VAL 125 9.809 5.801 -0.798 767 HA VAL 125 HA VAL 125 8.020 7.936 -0.288 768 HB VAL 125 HB VAL 125 8.013 5.006 0.479 769 1HG1 VAL 125 1HG1 VAL 125 5.696 6.952 0.883 770 2HG1 VAL 125 2HG1 VAL 125 5.608 5.182 1.020 771 3HG1 VAL 125 3HG1 VAL 125 6.580 6.092 2.165 772 1HG2 VAL 125 1HG2 VAL 125 7.727 5.683 -1.962 773 2HG2 VAL 125 2HG2 VAL 125 6.340 4.814 -1.301 774 3HG2 VAL 125 3HG2 VAL 125 6.284 6.580 -1.499 775 H ARG 126 H ARG 126 9.909 5.925 2.042 776 HA ARG 126 HA ARG 126 8.972 7.474 4.294 777 1HB ARG 126 1HB ARG 126 9.936 5.277 4.567 778 2HB ARG 126 2HB ARG 126 11.535 5.845 4.101 779 1HG ARG 126 1HG ARG 126 10.060 7.262 6.357 780 2HG ARG 126 2HG ARG 126 10.685 5.666 6.688 781 1HD ARG 126 1HD ARG 126 12.405 7.948 5.636 782 2HD ARG 126 2HD ARG 126 12.249 7.525 7.329 783 HE ARG 126 HE ARG 126 13.702 6.056 5.235 784 1HH1 ARG 126 1HH1 ARG 126 12.319 5.731 8.515 785 2HH1 ARG 126 2HH1 ARG 126 13.367 4.392 8.910 786 1HH2 ARG 126 1HH2 ARG 126 15.053 4.469 5.779 787 2HH2 ARG 126 2HH2 ARG 126 14.911 3.554 7.254 788 H GLU 127 H GLU 127 11.975 7.885 2.267 789 HA GLU 127 HA GLU 127 13.000 9.980 3.872 790 1HB GLU 127 1HB GLU 127 13.952 8.643 1.760 791 2HB GLU 127 2HB GLU 127 13.353 10.027 0.888 792 1HG GLU 127 1HG GLU 127 15.433 10.856 1.328 793 2HG GLU 127 2HG GLU 127 14.692 11.362 2.846 794 H ARG 128 H ARG 128 10.691 10.019 1.219 795 HA ARG 128 HA ARG 128 10.267 12.895 1.113 796 1HB ARG 128 1HB ARG 128 8.400 10.595 0.393 797 2HB ARG 128 2HB ARG 128 8.035 12.282 0.082 798 1HG ARG 128 1HG ARG 128 10.427 10.833 -1.150 799 2HG ARG 128 2HG ARG 128 8.837 10.959 -1.874 800 1HD ARG 128 1HD ARG 128 10.004 12.647 -2.924 801 2HD ARG 128 2HD ARG 128 9.132 13.523 -1.657 802 HE ARG 128 HE ARG 128 11.792 12.592 -0.889 803 1HH1 ARG 128 1HH1 ARG 128 10.374 15.144 -2.938 804 2HH1 ARG 128 2HH1 ARG 128 11.581 16.298 -2.535 805 1HH2 ARG 128 1HH2 ARG 128 13.349 14.131 -0.356 806 2HH2 ARG 128 2HH2 ARG 128 13.515 15.569 -1.291 807 H ALA 129 H ALA 129 8.725 10.302 3.084 808 HA ALA 129 HA ALA 129 6.818 11.996 4.370 809 1HB ALA 129 1HB ALA 129 6.782 9.463 4.477 810 2HB ALA 129 2HB ALA 129 8.171 9.527 5.573 811 3HB ALA 129 3HB ALA 129 6.644 10.258 6.054 812 H VAL 130 H VAL 130 10.127 10.995 5.300 813 HA VAL 130 HA VAL 130 10.464 12.432 7.650 814 HB VAL 130 HB VAL 130 12.362 11.491 5.521 815 1HG1 VAL 130 1HG1 VAL 130 13.465 13.467 6.542 816 2HG1 VAL 130 2HG1 VAL 130 13.184 12.777 8.158 817 3HG1 VAL 130 3HG1 VAL 130 14.243 11.957 6.982 818 1HG2 VAL 130 1HG2 VAL 130 11.749 10.669 8.397 819 2HG2 VAL 130 2HG2 VAL 130 11.204 9.820 6.951 820 3HG2 VAL 130 3HG2 VAL 130 12.932 9.886 7.339 821 H VAL 131 H VAL 131 11.163 13.547 4.312 822 HA VAL 131 HA VAL 131 11.812 16.208 5.127 823 HB VAL 131 HB VAL 131 10.940 14.959 2.501 824 1HG1 VAL 131 1HG1 VAL 131 11.696 17.860 2.971 825 2HG1 VAL 131 2HG1 VAL 131 11.626 17.062 1.369 826 3HG1 VAL 131 3HG1 VAL 131 10.151 17.267 2.326 827 1HG2 VAL 131 1HG2 VAL 131 13.230 14.484 3.409 828 2HG2 VAL 131 2HG2 VAL 131 13.292 15.443 1.919 829 3HG2 VAL 131 3HG2 VAL 131 13.549 16.221 3.488 830 H ARG 132 H ARG 132 8.622 14.710 4.497 831 HA ARG 132 HA ARG 132 7.278 17.277 4.669 832 1HB ARG 132 1HB ARG 132 6.089 15.608 3.480 833 2HB ARG 132 2HB ARG 132 6.418 14.358 4.642 834 1HG ARG 132 1HG ARG 132 4.660 16.665 5.506 835 2HG ARG 132 2HG ARG 132 4.036 15.444 4.414 836 1HD ARG 132 1HD ARG 132 4.698 13.640 6.013 837 2HD ARG 132 2HD ARG 132 5.228 14.873 7.164 838 HE ARG 132 HE ARG 132 2.546 15.349 6.301 839 1HH1 ARG 132 1HH1 ARG 132 4.408 13.149 8.414 840 2HH1 ARG 132 2HH1 ARG 132 3.120 12.928 9.540 841 1HH2 ARG 132 1HH2 ARG 132 0.740 14.813 7.676 842 2HH2 ARG 132 2HH2 ARG 132 0.964 13.609 8.899 843 H GLU 133 H GLU 133 8.029 14.842 7.072 844 HA GLU 133 HA GLU 133 6.533 16.310 9.119 845 1HB GLU 133 1HB GLU 133 7.450 14.763 10.740 846 2HB GLU 133 2HB GLU 133 6.803 13.956 9.303 847 1HG GLU 133 1HG GLU 133 8.978 13.530 8.453 848 2HG GLU 133 2HG GLU 133 9.765 14.353 9.792 849 H MET 134 H MET 134 9.819 16.154 8.030 850 HA MET 134 HA MET 134 10.564 18.607 9.549 851 1HB MET 134 1HB MET 134 12.121 16.005 9.294 852 2HB MET 134 2HB MET 134 12.757 17.500 9.985 853 1HG MET 134 1HG MET 134 10.941 17.464 11.687 854 2HG MET 134 2HG MET 134 10.413 15.912 11.075 855 1HE MET 134 1HE MET 134 12.019 13.745 10.984 856 2HE MET 134 2HE MET 134 13.485 14.597 10.459 857 3HE MET 134 3HE MET 134 13.528 13.606 11.922 858 H ILE 135 H ILE 135 10.133 19.644 7.431 859 HA ILE 135 HA ILE 135 11.630 19.164 5.108 860 HB ILE 135 HB ILE 135 10.700 21.864 6.172 861 1HG1 ILE 135 1HG1 ILE 135 8.821 21.621 4.515 862 2HG1 ILE 135 2HG1 ILE 135 9.252 19.938 4.287 863 1HG2 ILE 135 1HG2 ILE 135 12.354 22.037 4.312 864 2HG2 ILE 135 2HG2 ILE 135 11.342 20.977 3.318 865 3HG2 ILE 135 3HG2 ILE 135 10.760 22.579 3.808 866 1HD1 ILE 135 1HD1 ILE 135 8.359 21.191 6.925 867 2HD1 ILE 135 2HD1 ILE 135 7.303 20.309 5.792 868 3HD1 ILE 135 3HD1 ILE 135 8.574 19.452 6.616 869 H SER 136 H SER 136 13.701 19.472 4.558 870 HA SER 136 HA SER 136 15.897 19.424 4.870 871 1HB SER 136 1HB SER 136 15.547 22.244 5.919 872 2HB SER 136 2HB SER 136 17.023 21.505 5.298 873 HG SER 136 HG SER 136 16.398 22.363 3.508 Start of MODEL 8 1 1H MET 23 1H MET 23 -2.228 15.814 -8.895 2 2H MET 23 2H MET 23 -3.057 14.434 -8.555 3 3H MET 23 3H MET 23 -2.926 14.972 -10.112 4 HA MET 23 HA MET 23 -4.198 16.900 -9.651 5 1HB MET 23 1HB MET 23 -5.687 14.455 -8.631 6 2HB MET 23 2HB MET 23 -6.383 15.935 -9.270 7 1HG MET 23 1HG MET 23 -5.272 15.524 -11.446 8 2HG MET 23 2HG MET 23 -4.673 13.977 -10.843 9 1HE MET 23 1HE MET 23 -5.963 11.852 -10.624 10 2HE MET 23 2HE MET 23 -6.855 12.565 -9.267 11 3HE MET 23 3HE MET 23 -7.732 11.729 -10.567 12 H LYS 24 H LYS 24 -6.150 16.001 -7.120 13 HA LYS 24 HA LYS 24 -5.342 18.236 -5.743 14 1HB LYS 24 1HB LYS 24 -7.133 17.950 -4.340 15 2HB LYS 24 2HB LYS 24 -7.662 17.029 -5.730 16 1HG LYS 24 1HG LYS 24 -6.422 15.821 -3.181 17 2HG LYS 24 2HG LYS 24 -8.118 16.066 -3.404 18 1HD LYS 24 1HD LYS 24 -6.524 14.315 -5.324 19 2HD LYS 24 2HD LYS 24 -7.188 13.731 -3.789 20 1HE LYS 24 1HE LYS 24 -9.427 14.797 -4.495 21 2HE LYS 24 2HE LYS 24 -8.752 14.964 -6.111 22 1HZ LYS 24 1HZ LYS 24 -9.177 12.416 -4.655 23 2HZ LYS 24 2HZ LYS 24 -10.072 13.022 -5.899 24 3HZ LYS 24 3HZ LYS 24 -8.548 12.528 -6.171 25 H VAL 25 H VAL 25 -3.616 15.622 -5.591 26 HA VAL 25 HA VAL 25 -3.097 15.449 -2.702 27 HB VAL 25 HB VAL 25 -1.763 13.537 -3.259 28 1HG1 VAL 25 1HG1 VAL 25 -4.226 13.267 -3.112 29 2HG1 VAL 25 2HG1 VAL 25 -4.305 13.346 -4.891 30 3HG1 VAL 25 3HG1 VAL 25 -3.419 12.039 -4.097 31 1HG2 VAL 25 1HG2 VAL 25 -2.204 14.235 -6.192 32 2HG2 VAL 25 2HG2 VAL 25 -0.657 14.178 -5.327 33 3HG2 VAL 25 3HG2 VAL 25 -1.564 12.694 -5.608 34 HA PRO 26 HA PRO 26 0.552 18.091 -3.168 35 1HB PRO 26 1HB PRO 26 2.059 17.261 -1.005 36 2HB PRO 26 2HB PRO 26 0.641 18.346 -0.881 37 1HG PRO 26 1HG PRO 26 0.776 15.369 -0.421 38 2HG PRO 26 2HG PRO 26 -0.041 16.606 0.580 39 1HD PRO 26 1HD PRO 26 -1.352 15.042 -1.252 40 2HD PRO 26 2HD PRO 26 -1.847 16.732 -0.925 41 HA PRO 27 HA PRO 27 3.302 15.461 -5.416 42 1HB PRO 27 1HB PRO 27 5.710 16.737 -5.427 43 2HB PRO 27 2HB PRO 27 4.242 17.448 -6.150 44 1HG PRO 27 1HG PRO 27 5.327 17.935 -3.341 45 2HG PRO 27 2HG PRO 27 4.909 19.157 -4.576 46 1HD PRO 27 1HD PRO 27 3.136 18.463 -2.663 47 2HD PRO 27 2HD PRO 27 2.590 18.758 -4.336 48 H HIS 28 H HIS 28 3.090 13.641 -3.874 49 HA HIS 28 HA HIS 28 5.660 13.049 -2.462 50 1HB HIS 28 1HB HIS 28 4.439 11.975 -0.699 51 2HB HIS 28 2HB HIS 28 3.967 13.654 -0.861 52 HD1 HIS 28 HD1 HIS 28 1.438 14.051 -1.997 53 HD2 HIS 28 HD2 HIS 28 2.546 10.125 -1.006 54 HE1 HIS 28 HE1 HIS 28 -0.721 12.741 -1.676 55 H SER 29 H SER 29 4.357 12.262 -5.188 56 HA SER 29 HA SER 29 4.665 10.543 -6.598 57 1HB SER 29 1HB SER 29 6.626 9.500 -4.546 58 2HB SER 29 2HB SER 29 6.569 9.131 -6.285 59 HG SER 29 HG SER 29 8.041 10.869 -5.584 60 H ILE 30 H ILE 30 2.399 10.201 -5.910 61 HA ILE 30 HA ILE 30 1.361 7.986 -4.492 62 HB ILE 30 HB ILE 30 0.679 9.165 -7.262 63 1HG1 ILE 30 1HG1 ILE 30 0.575 10.928 -5.596 64 2HG1 ILE 30 2HG1 ILE 30 -1.011 10.548 -6.252 65 1HG2 ILE 30 1HG2 ILE 30 -0.452 7.011 -7.061 66 2HG2 ILE 30 2HG2 ILE 30 -1.211 7.519 -5.543 67 3HG2 ILE 30 3HG2 ILE 30 -1.589 8.348 -7.068 68 1HD1 ILE 30 1HD1 ILE 30 0.039 9.530 -3.580 69 2HD1 ILE 30 2HD1 ILE 30 -1.055 10.908 -3.795 70 3HD1 ILE 30 3HD1 ILE 30 -1.596 9.285 -4.236 71 H GLU 31 H GLU 31 2.584 8.109 -7.896 72 HA GLU 31 HA GLU 31 2.098 5.320 -8.210 73 1HB GLU 31 1HB GLU 31 3.429 7.466 -9.817 74 2HB GLU 31 2HB GLU 31 3.487 5.781 -10.321 75 1HG GLU 31 1HG GLU 31 0.991 5.629 -10.115 76 2HG GLU 31 2HG GLU 31 0.913 7.246 -9.463 77 H ALA 32 H ALA 32 4.935 6.983 -7.107 78 HA ALA 32 HA ALA 32 6.694 4.696 -7.046 79 1HB ALA 32 1HB ALA 32 6.624 7.085 -5.145 80 2HB ALA 32 2HB ALA 32 7.906 5.902 -5.237 81 3HB ALA 32 3HB ALA 32 7.592 6.953 -6.640 82 H GLU 33 H GLU 33 4.448 6.076 -4.606 83 HA GLU 33 HA GLU 33 4.634 4.052 -2.642 84 1HB GLU 33 1HB GLU 33 2.430 5.956 -3.496 85 2HB GLU 33 2HB GLU 33 2.194 4.852 -2.190 86 1HG GLU 33 1HG GLU 33 4.142 5.863 -1.017 87 2HG GLU 33 2HG GLU 33 4.335 7.000 -2.361 88 H GLN 34 H GLN 34 2.539 4.235 -5.563 89 HA GLN 34 HA GLN 34 1.265 1.750 -5.068 90 1HB GLN 34 1HB GLN 34 1.613 3.244 -7.697 91 2HB GLN 34 2HB GLN 34 0.669 1.761 -7.510 92 1HG GLN 34 1HG GLN 34 -0.658 2.865 -5.710 93 2HG GLN 34 2HG GLN 34 0.155 4.380 -6.080 94 1HE2 GLN 34 2HE2 GLN 34 -2.724 3.387 -6.256 95 2HE2 GLN 34 1HE2 GLN 34 -3.246 3.805 -7.882 96 H SER 35 H SER 35 4.325 2.535 -6.715 97 HA SER 35 HA SER 35 4.774 -0.058 -7.841 98 1HB SER 35 1HB SER 35 6.836 1.995 -6.927 99 2HB SER 35 2HB SER 35 7.083 0.665 -8.058 100 HG SER 35 HG SER 35 5.286 2.863 -8.412 101 H VAL 36 H VAL 36 5.348 1.302 -4.604 102 HA VAL 36 HA VAL 36 6.773 -1.035 -3.644 103 HB VAL 36 HB VAL 36 5.330 1.213 -2.138 104 1HG1 VAL 36 1HG1 VAL 36 7.295 -0.855 -1.100 105 2HG1 VAL 36 2HG1 VAL 36 6.703 0.549 -0.182 106 3HG1 VAL 36 3HG1 VAL 36 5.581 -0.731 -0.656 107 1HG2 VAL 36 1HG2 VAL 36 7.247 2.017 -3.483 108 2HG2 VAL 36 2HG2 VAL 36 7.545 2.159 -1.758 109 3HG2 VAL 36 3HG2 VAL 36 8.301 0.836 -2.684 110 H LEU 37 H LEU 37 3.453 0.172 -3.105 111 HA LEU 37 HA LEU 37 2.738 -2.160 -1.591 112 1HB LEU 37 1HB LEU 37 1.134 0.023 -2.967 113 2HB LEU 37 2HB LEU 37 0.426 -1.213 -1.942 114 HG LEU 37 HG LEU 37 2.512 0.875 -1.120 115 1HD1 LEU 37 1HD1 LEU 37 -0.421 0.550 -0.423 116 2HD1 LEU 37 2HD1 LEU 37 0.686 1.742 0.284 117 3HD1 LEU 37 3HD1 LEU 37 0.304 1.808 -1.456 118 1HD2 LEU 37 1HD2 LEU 37 1.205 -1.272 0.597 119 2HD2 LEU 37 2HD2 LEU 37 2.942 -1.070 0.252 120 3HD2 LEU 37 3HD2 LEU 37 2.107 0.135 1.215 121 H GLY 38 H GLY 38 2.417 -1.403 -5.005 122 1HA GLY 38 1HA GLY 38 0.984 -3.782 -5.770 123 2HA GLY 38 2HA GLY 38 2.010 -2.759 -6.797 124 H GLY 39 H GLY 39 4.524 -2.931 -5.434 125 1HA GLY 39 1HA GLY 39 5.734 -5.246 -6.361 126 2HA GLY 39 2HA GLY 39 6.309 -4.205 -5.063 127 H LEU 40 H LEU 40 4.487 -4.578 -3.090 128 HA LEU 40 HA LEU 40 5.206 -6.977 -1.813 129 1HB LEU 40 1HB LEU 40 2.793 -5.159 -1.467 130 2HB LEU 40 2HB LEU 40 3.146 -6.467 -0.363 131 HG LEU 40 HG LEU 40 4.997 -4.103 -0.889 132 1HD1 LEU 40 1HD1 LEU 40 2.837 -3.530 0.257 133 2HD1 LEU 40 2HD1 LEU 40 3.249 -4.687 1.534 134 3HD1 LEU 40 3HD1 LEU 40 4.273 -3.263 1.252 135 1HD2 LEU 40 1HD2 LEU 40 5.113 -6.405 1.103 136 2HD2 LEU 40 2HD2 LEU 40 6.293 -6.016 -0.159 137 3HD2 LEU 40 3HD2 LEU 40 6.108 -4.935 1.221 138 H MET 41 H MET 41 2.344 -6.396 -3.890 139 HA MET 41 HA MET 41 1.067 -8.888 -3.087 140 1HB MET 41 1HB MET 41 0.477 -7.069 -5.466 141 2HB MET 41 2HB MET 41 -0.517 -8.429 -4.913 142 1HG MET 41 1HG MET 41 -0.615 -7.299 -2.644 143 2HG MET 41 2HG MET 41 0.101 -5.878 -3.396 144 1HE MET 41 1HE MET 41 -1.090 -4.547 -5.403 145 2HE MET 41 2HE MET 41 -1.625 -5.974 -6.315 146 3HE MET 41 3HE MET 41 -2.803 -4.734 -5.815 147 H LEU 42 H LEU 42 3.482 -7.976 -5.441 148 HA LEU 42 HA LEU 42 3.238 -10.502 -6.976 149 1HB LEU 42 1HB LEU 42 4.839 -7.978 -7.303 150 2HB LEU 42 2HB LEU 42 5.342 -9.492 -8.049 151 HG LEU 42 HG LEU 42 3.006 -9.720 -9.046 152 1HD1 LEU 42 1HD1 LEU 42 2.799 -6.822 -8.122 153 2HD1 LEU 42 2HD1 LEU 42 1.836 -7.492 -9.440 154 3HD1 LEU 42 3HD1 LEU 42 1.674 -8.140 -7.808 155 1HD2 LEU 42 1HD2 LEU 42 4.856 -7.467 -9.826 156 2HD2 LEU 42 2HD2 LEU 42 4.934 -9.172 -10.326 157 3HD2 LEU 42 3HD2 LEU 42 3.590 -8.149 -10.875 158 H ASP 43 H ASP 43 5.291 -8.966 -4.555 159 HA ASP 43 HA ASP 43 6.986 -11.419 -4.319 160 1HB ASP 43 1HB ASP 43 7.985 -9.780 -5.809 161 2HB ASP 43 2HB ASP 43 7.941 -8.548 -4.537 162 H ASN 44 H ASN 44 5.940 -11.994 -2.606 163 HA ASN 44 HA ASN 44 4.961 -10.477 -0.444 164 1HB ASN 44 1HB ASN 44 5.868 -13.382 -0.508 165 2HB ASN 44 2HB ASN 44 4.988 -12.654 0.826 166 1HD2 ASN 44 2HD2 ASN 44 2.908 -13.365 0.830 167 2HD2 ASN 44 1HD2 ASN 44 1.972 -13.719 -0.619 168 H GLU 45 H GLU 45 8.143 -11.960 -0.934 169 HA GLU 45 HA GLU 45 9.134 -11.698 1.790 170 1HB GLU 45 1HB GLU 45 10.359 -12.042 -0.990 171 2HB GLU 45 2HB GLU 45 11.398 -11.811 0.408 172 1HG GLU 45 1HG GLU 45 9.271 -13.968 0.530 173 2HG GLU 45 2HG GLU 45 10.745 -14.244 -0.399 174 H ARG 46 H ARG 46 8.591 -9.300 -0.702 175 HA ARG 46 HA ARG 46 10.477 -7.467 0.512 176 1HB ARG 46 1HB ARG 46 8.082 -6.885 -1.266 177 2HB ARG 46 2HB ARG 46 9.422 -5.797 -0.867 178 1HG ARG 46 1HG ARG 46 9.746 -8.442 -2.324 179 2HG ARG 46 2HG ARG 46 9.584 -6.894 -3.120 180 1HD ARG 46 1HD ARG 46 11.628 -6.119 -1.800 181 2HD ARG 46 2HD ARG 46 11.816 -7.788 -1.232 182 HE ARG 46 HE ARG 46 11.682 -8.238 -3.839 183 1HH1 ARG 46 1HH1 ARG 46 13.678 -5.901 -1.965 184 2HH1 ARG 46 2HH1 ARG 46 14.839 -5.685 -3.230 185 1HH2 ARG 46 1HH2 ARG 46 13.359 -8.030 -5.444 186 2HH2 ARG 46 2HH2 ARG 46 14.749 -7.034 -5.146 187 H TRP 47 H TRP 47 7.577 -8.769 1.765 188 HA TRP 47 HA TRP 47 6.396 -6.508 2.977 189 1HB TRP 47 1HB TRP 47 5.449 -8.777 3.222 190 2HB TRP 47 2HB TRP 47 6.835 -9.272 4.193 191 HD1 TRP 47 HD1 TRP 47 6.929 -8.530 6.685 192 HE1 TRP 47 HE1 TRP 47 5.630 -6.953 8.189 193 HE3 TRP 47 HE3 TRP 47 3.683 -6.646 3.229 194 HZ2 TRP 47 HZ2 TRP 47 3.337 -5.174 7.965 195 HZ3 TRP 47 HZ3 TRP 47 2.028 -4.918 3.871 196 HH2 TRP 47 HH2 TRP 47 1.841 -4.185 6.214 197 H ASP 48 H ASP 48 9.094 -8.520 4.231 198 HA ASP 48 HA ASP 48 9.550 -6.752 6.495 199 1HB ASP 48 1HB ASP 48 11.227 -8.832 5.029 200 2HB ASP 48 2HB ASP 48 11.911 -7.845 6.281 201 H ASP 49 H ASP 49 10.489 -6.568 3.265 202 HA ASP 49 HA ASP 49 12.968 -5.056 3.625 203 1HB ASP 49 1HB ASP 49 12.182 -6.825 1.753 204 2HB ASP 49 2HB ASP 49 11.586 -5.383 0.936 205 H VAL 50 H VAL 50 9.700 -4.512 2.603 206 HA VAL 50 HA VAL 50 9.899 -1.631 2.231 207 HB VAL 50 HB VAL 50 7.726 -3.744 2.415 208 1HG1 VAL 50 1HG1 VAL 50 7.395 -0.748 1.825 209 2HG1 VAL 50 2HG1 VAL 50 6.122 -1.963 1.608 210 3HG1 VAL 50 3HG1 VAL 50 6.735 -1.605 3.230 211 1HG2 VAL 50 1HG2 VAL 50 8.800 -2.034 0.107 212 2HG2 VAL 50 2HG2 VAL 50 9.055 -3.763 0.326 213 3HG2 VAL 50 3HG2 VAL 50 7.432 -3.171 -0.029 214 H ALA 51 H ALA 51 8.589 -3.934 4.770 215 HA ALA 51 HA ALA 51 7.906 -1.856 6.566 216 1HB ALA 51 1HB ALA 51 7.001 -4.177 6.678 217 2HB ALA 51 2HB ALA 51 8.596 -4.752 7.211 218 3HB ALA 51 3HB ALA 51 7.666 -3.633 8.226 219 H GLU 52 H GLU 52 11.119 -3.026 5.839 220 HA GLU 52 HA GLU 52 12.137 -1.842 8.244 221 1HB GLU 52 1HB GLU 52 14.318 -2.527 7.704 222 2HB GLU 52 2HB GLU 52 13.214 -3.879 7.541 223 1HG GLU 52 1HG GLU 52 13.137 -3.554 5.131 224 2HG GLU 52 2HG GLU 52 14.194 -2.153 5.248 225 H ARG 53 H ARG 53 11.166 -0.664 5.286 226 HA ARG 53 HA ARG 53 13.050 1.651 5.355 227 1HB ARG 53 1HB ARG 53 11.390 0.424 3.111 228 2HB ARG 53 2HB ARG 53 12.130 2.016 2.974 229 1HG ARG 53 1HG ARG 53 13.750 -0.497 3.576 230 2HG ARG 53 2HG ARG 53 13.419 0.055 1.936 231 1HD ARG 53 1HD ARG 53 14.616 2.058 2.182 232 2HD ARG 53 2HD ARG 53 14.633 1.986 3.938 233 HE ARG 53 HE ARG 53 16.607 0.979 2.189 234 1HH1 ARG 53 1HH1 ARG 53 14.968 0.014 5.197 235 2HH1 ARG 53 2HH1 ARG 53 16.402 -0.639 5.905 236 1HH2 ARG 53 1HH2 ARG 53 18.511 0.025 3.175 237 2HH2 ARG 53 2HH2 ARG 53 18.430 -0.431 4.849 238 H VAL 54 H VAL 54 9.593 0.691 5.411 239 HA VAL 54 HA VAL 54 8.897 3.456 6.204 240 HB VAL 54 HB VAL 54 6.918 3.091 4.657 241 1HG1 VAL 54 1HG1 VAL 54 8.690 4.729 4.190 242 2HG1 VAL 54 2HG1 VAL 54 9.602 3.487 3.304 243 3HG1 VAL 54 3HG1 VAL 54 8.024 4.034 2.702 244 1HG2 VAL 54 1HG2 VAL 54 7.268 0.690 4.155 245 2HG2 VAL 54 2HG2 VAL 54 7.063 1.703 2.722 246 3HG2 VAL 54 3HG2 VAL 54 8.682 1.133 3.173 247 H VAL 55 H VAL 55 6.499 3.469 6.879 248 HA VAL 55 HA VAL 55 5.442 0.898 7.820 249 HB VAL 55 HB VAL 55 4.721 1.979 9.976 250 1HG1 VAL 55 1HG1 VAL 55 6.668 0.408 9.850 251 2HG1 VAL 55 2HG1 VAL 55 7.740 1.819 9.730 252 3HG1 VAL 55 3HG1 VAL 55 6.747 1.577 11.180 253 1HG2 VAL 55 1HG2 VAL 55 6.758 4.115 9.258 254 2HG2 VAL 55 2HG2 VAL 55 5.009 4.355 9.424 255 3HG2 VAL 55 3HG2 VAL 55 5.985 3.921 10.837 256 H ALA 56 H ALA 56 3.040 1.219 8.377 257 HA ALA 56 HA ALA 56 1.736 2.260 6.154 258 1HB ALA 56 1HB ALA 56 0.701 0.689 7.901 259 2HB ALA 56 2HB ALA 56 0.488 2.095 8.946 260 3HB ALA 56 3HB ALA 56 -0.357 2.016 7.392 261 H ASP 57 H ASP 57 2.222 3.983 9.278 262 HA ASP 57 HA ASP 57 0.507 6.122 8.506 263 1HB ASP 57 1HB ASP 57 2.309 5.530 10.797 264 2HB ASP 57 2HB ASP 57 2.082 7.248 10.464 265 H ASP 58 H ASP 58 3.672 5.470 7.377 266 HA ASP 58 HA ASP 58 4.664 8.141 7.072 267 1HB ASP 58 1HB ASP 58 5.252 5.494 5.676 268 2HB ASP 58 2HB ASP 58 6.020 6.966 5.222 269 H PHE 59 H PHE 59 2.509 6.029 5.197 270 HA PHE 59 HA PHE 59 2.646 7.578 2.747 271 1HB PHE 59 1HB PHE 59 0.794 5.386 3.743 272 2HB PHE 59 2HB PHE 59 0.655 6.126 2.166 273 HD1 PHE 59 HD1 PHE 59 3.206 4.320 4.333 274 HD2 PHE 59 HD2 PHE 59 1.744 5.122 0.354 275 HE1 PHE 59 HE1 PHE 59 4.806 2.699 3.418 276 HE2 PHE 59 HE2 PHE 59 3.264 3.369 -0.542 277 HZ PHE 59 HZ PHE 59 4.814 2.168 0.984 278 H TYR 60 H TYR 60 1.656 9.510 2.476 279 HA TYR 60 HA TYR 60 -0.273 10.686 4.264 280 1HB TYR 60 1HB TYR 60 1.188 11.999 2.852 281 2HB TYR 60 2HB TYR 60 0.624 11.200 1.406 282 HD1 TYR 60 HD1 TYR 60 -1.586 11.711 0.414 283 HD2 TYR 60 HD2 TYR 60 -0.075 13.883 3.812 284 HE1 TYR 60 HE1 TYR 60 -3.154 13.559 -0.079 285 HE2 TYR 60 HE2 TYR 60 -1.614 15.745 3.324 286 HH TYR 60 HH TYR 60 -3.784 15.743 0.453 287 H THR 61 H THR 61 -0.565 8.550 1.478 288 HA THR 61 HA THR 61 -3.131 9.255 0.543 289 HB THR 61 HB THR 61 -2.369 6.790 -0.496 290 HG1 THR 61 HG1 THR 61 0.141 7.585 -0.705 291 1HG2 THR 61 1HG2 THR 61 -1.462 9.542 -1.344 292 2HG2 THR 61 2HG2 THR 61 -1.275 8.053 -2.304 293 3HG2 THR 61 3HG2 THR 61 -2.890 8.647 -1.902 294 H ARG 62 H ARG 62 -4.991 8.745 1.643 295 HA ARG 62 HA ARG 62 -5.377 6.728 3.557 296 1HB ARG 62 1HB ARG 62 -7.276 8.064 1.633 297 2HB ARG 62 2HB ARG 62 -7.793 6.572 2.406 298 1HG ARG 62 1HG ARG 62 -8.595 8.307 3.777 299 2HG ARG 62 2HG ARG 62 -7.265 7.536 4.654 300 1HD ARG 62 1HD ARG 62 -5.744 9.350 3.873 301 2HD ARG 62 2HD ARG 62 -7.104 10.082 3.001 302 HE ARG 62 HE ARG 62 -7.698 9.761 5.816 303 1HH1 ARG 62 1HH1 ARG 62 -5.895 11.786 3.536 304 2HH1 ARG 62 2HH1 ARG 62 -6.358 13.278 4.310 305 1HH2 ARG 62 1HH2 ARG 62 -7.997 11.603 6.993 306 2HH2 ARG 62 2HH2 ARG 62 -7.450 13.164 6.474 307 HA PRO 63 HA PRO 63 -6.645 3.396 0.456 308 1HB PRO 63 1HB PRO 63 -5.759 3.381 -2.129 309 2HB PRO 63 2HB PRO 63 -7.267 4.200 -1.623 310 1HG PRO 63 1HG PRO 63 -4.548 5.461 -2.026 311 2HG PRO 63 2HG PRO 63 -6.137 6.008 -2.639 312 1HD PRO 63 1HD PRO 63 -5.051 7.044 -0.411 313 2HD PRO 63 2HD PRO 63 -6.818 6.775 -0.512 314 H HIS 64 H HIS 64 -3.403 4.888 -0.021 315 HA HIS 64 HA HIS 64 -2.071 2.341 -0.291 316 1HB HIS 64 1HB HIS 64 -1.055 5.112 0.356 317 2HB HIS 64 2HB HIS 64 -0.042 3.764 -0.052 318 HD1 HIS 64 HD1 HIS 64 0.358 6.081 -2.056 319 HD2 HIS 64 HD2 HIS 64 -2.626 3.107 -2.452 320 HE1 HIS 64 HE1 HIS 64 -0.215 5.919 -4.556 321 H ARG 65 H ARG 65 -2.750 4.579 2.466 322 HA ARG 65 HA ARG 65 -1.411 2.984 4.434 323 1HB ARG 65 1HB ARG 65 -3.797 4.884 4.700 324 2HB ARG 65 2HB ARG 65 -3.036 4.024 6.045 325 1HG ARG 65 1HG ARG 65 -0.823 5.053 5.131 326 2HG ARG 65 2HG ARG 65 -1.865 6.223 4.339 327 1HD ARG 65 1HD ARG 65 -1.854 5.597 7.333 328 2HD ARG 65 2HD ARG 65 -0.976 6.923 6.595 329 HE ARG 65 HE ARG 65 -2.927 8.078 6.114 330 1HH1 ARG 65 1HH1 ARG 65 -3.659 5.265 8.106 331 2HH1 ARG 65 2HH1 ARG 65 -5.379 5.381 7.958 332 1HH2 ARG 65 1HH2 ARG 65 -5.033 8.565 6.299 333 2HH2 ARG 65 2HH2 ARG 65 -6.208 7.539 7.125 334 H HIS 66 H HIS 66 -4.863 2.956 3.342 335 HA HIS 66 HA HIS 66 -5.775 0.843 4.910 336 1HB HIS 66 1HB HIS 66 -6.350 1.575 2.006 337 2HB HIS 66 2HB HIS 66 -7.213 0.308 2.852 338 HD1 HIS 66 HD1 HIS 66 -7.766 3.780 2.030 339 HD2 HIS 66 HD2 HIS 66 -8.333 1.194 5.256 340 HE1 HIS 66 HE1 HIS 66 -9.712 4.757 3.351 341 H ILE 67 H ILE 67 -4.199 0.605 1.669 342 HA ILE 67 HA ILE 67 -4.251 -2.192 1.482 343 HB ILE 67 HB ILE 67 -2.438 -0.051 0.354 344 1HG1 ILE 67 1HG1 ILE 67 -4.407 -1.875 -1.069 345 2HG1 ILE 67 2HG1 ILE 67 -4.932 -0.379 -0.327 346 1HG2 ILE 67 1HG2 ILE 67 -2.342 -3.027 -0.310 347 2HG2 ILE 67 2HG2 ILE 67 -1.575 -1.748 -1.251 348 3HG2 ILE 67 3HG2 ILE 67 -1.031 -2.064 0.389 349 1HD1 ILE 67 1HD1 ILE 67 -3.226 0.863 -1.743 350 2HD1 ILE 67 2HD1 ILE 67 -2.970 -0.655 -2.629 351 3HD1 ILE 67 3HD1 ILE 67 -4.564 0.118 -2.627 352 H PHE 68 H PHE 68 -1.459 -0.162 2.710 353 HA PHE 68 HA PHE 68 -0.041 -2.494 3.487 354 1HB PHE 68 1HB PHE 68 0.838 -0.098 3.180 355 2HB PHE 68 2HB PHE 68 0.321 0.191 4.834 356 HD1 PHE 68 HD1 PHE 68 2.575 -1.866 2.662 357 HD2 PHE 68 HD2 PHE 68 1.590 -0.815 6.720 358 HE1 PHE 68 HE1 PHE 68 4.710 -2.852 3.455 359 HE2 PHE 68 HE2 PHE 68 3.744 -1.761 7.486 360 HZ PHE 68 HZ PHE 68 5.331 -2.739 5.837 361 H THR 69 H THR 69 -2.524 -0.635 5.272 362 HA THR 69 HA THR 69 -2.022 -1.864 7.840 363 HB THR 69 HB THR 69 -4.459 -0.494 6.598 364 HG1 THR 69 HG1 THR 69 -2.834 0.881 6.829 365 1HG2 THR 69 1HG2 THR 69 -3.972 -1.380 9.455 366 2HG2 THR 69 2HG2 THR 69 -5.211 -0.181 8.972 367 3HG2 THR 69 3HG2 THR 69 -5.303 -1.843 8.380 368 H GLU 70 H GLU 70 -4.336 -2.653 5.127 369 HA GLU 70 HA GLU 70 -5.334 -4.797 6.729 370 1HB GLU 70 1HB GLU 70 -6.423 -3.250 4.827 371 2HB GLU 70 2HB GLU 70 -5.937 -4.580 3.794 372 1HG GLU 70 1HG GLU 70 -8.291 -4.753 4.675 373 2HG GLU 70 2HG GLU 70 -7.296 -6.120 5.150 374 H MET 71 H MET 71 -2.813 -4.483 4.321 375 HA MET 71 HA MET 71 -2.200 -7.278 3.957 376 1HB MET 71 1HB MET 71 -0.521 -4.737 3.874 377 2HB MET 71 2HB MET 71 0.150 -6.337 3.600 378 1HG MET 71 1HG MET 71 -1.212 -6.675 1.643 379 2HG MET 71 2HG MET 71 -2.022 -5.121 1.876 380 1HE MET 71 1HE MET 71 -0.170 -6.442 -0.601 381 2HE MET 71 2HE MET 71 -1.105 -4.944 -0.863 382 3HE MET 71 3HE MET 71 0.623 -4.983 -1.225 383 H ALA 72 H ALA 72 -0.992 -4.743 6.274 384 HA ALA 72 HA ALA 72 0.725 -6.369 7.761 385 1HB ALA 72 1HB ALA 72 -0.985 -4.021 8.730 386 2HB ALA 72 2HB ALA 72 0.387 -4.708 9.584 387 3HB ALA 72 3HB ALA 72 0.643 -3.911 8.038 388 H ARG 73 H ARG 73 -2.742 -5.705 8.266 389 HA ARG 73 HA ARG 73 -3.145 -7.442 10.484 390 1HB ARG 73 1HB ARG 73 -4.955 -6.375 8.301 391 2HB ARG 73 2HB ARG 73 -5.584 -7.426 9.575 392 1HG ARG 73 1HG ARG 73 -5.060 -5.874 11.283 393 2HG ARG 73 2HG ARG 73 -4.016 -4.908 10.221 394 1HD ARG 73 1HD ARG 73 -6.008 -4.307 8.857 395 2HD ARG 73 2HD ARG 73 -7.043 -5.167 10.021 396 HE ARG 73 HE ARG 73 -5.460 -3.398 11.487 397 1HH1 ARG 73 1HH1 ARG 73 -7.949 -3.047 8.929 398 2HH1 ARG 73 2HH1 ARG 73 -8.552 -1.557 9.580 399 1HH2 ARG 73 1HH2 ARG 73 -5.938 -1.274 11.962 400 2HH2 ARG 73 2HH2 ARG 73 -7.390 -0.500 11.414 401 H LEU 74 H LEU 74 -3.289 -8.234 6.908 402 HA LEU 74 HA LEU 74 -4.120 -10.908 7.327 403 1HB LEU 74 1HB LEU 74 -2.732 -9.342 5.125 404 2HB LEU 74 2HB LEU 74 -2.834 -11.075 5.014 405 HG LEU 74 HG LEU 74 -5.271 -9.351 5.476 406 1HD1 LEU 74 1HD1 LEU 74 -4.015 -10.186 2.849 407 2HD1 LEU 74 2HD1 LEU 74 -5.694 -9.645 3.028 408 3HD1 LEU 74 3HD1 LEU 74 -4.357 -8.546 3.432 409 1HD2 LEU 74 1HD2 LEU 74 -4.964 -12.182 4.410 410 2HD2 LEU 74 2HD2 LEU 74 -5.640 -11.724 5.986 411 3HD2 LEU 74 3HD2 LEU 74 -6.494 -11.293 4.508 412 H GLN 75 H GLN 75 -0.834 -9.487 6.849 413 HA GLN 75 HA GLN 75 0.495 -11.947 7.098 414 1HB GLN 75 1HB GLN 75 1.260 -9.541 6.315 415 2HB GLN 75 2HB GLN 75 1.641 -9.262 7.993 416 1HG GLN 75 1HG GLN 75 3.653 -9.893 6.799 417 2HG GLN 75 2HG GLN 75 3.250 -11.168 7.942 418 1HE2 GLN 75 2HE2 GLN 75 3.931 -10.482 4.591 419 2HE2 GLN 75 1HE2 GLN 75 3.514 -12.085 3.994 420 H GLU 76 H GLU 76 -0.427 -9.589 9.528 421 HA GLU 76 HA GLU 76 0.619 -10.870 11.835 422 1HB GLU 76 1HB GLU 76 -0.110 -8.570 11.817 423 2HB GLU 76 2HB GLU 76 -1.780 -9.023 11.478 424 1HG GLU 76 1HG GLU 76 -2.140 -9.799 13.673 425 2HG GLU 76 2HG GLU 76 -0.410 -9.997 13.981 426 H SER 77 H SER 77 -2.342 -11.587 9.997 427 HA SER 77 HA SER 77 -3.195 -13.540 12.032 428 1HB SER 77 1HB SER 77 -5.018 -14.029 10.574 429 2HB SER 77 2HB SER 77 -4.810 -12.277 10.642 430 HG SER 77 HG SER 77 -3.477 -12.700 8.614 431 H GLY 78 H GLY 78 -0.735 -13.559 9.670 432 1HA GLY 78 1HA GLY 78 0.516 -15.297 8.780 433 2HA GLY 78 2HA GLY 78 -0.469 -16.465 9.673 434 H SER 79 H SER 79 -1.520 -13.918 7.371 435 HA SER 79 HA SER 79 -2.377 -16.002 5.434 436 1HB SER 79 1HB SER 79 -3.695 -13.312 5.948 437 2HB SER 79 2HB SER 79 -4.208 -14.534 4.773 438 HG SER 79 HG SER 79 -4.393 -14.510 7.584 439 HA PRO 80 HA PRO 80 0.431 -13.741 2.865 440 1HB PRO 80 1HB PRO 80 -0.744 -13.926 0.340 441 2HB PRO 80 2HB PRO 80 0.209 -15.202 1.111 442 1HG PRO 80 1HG PRO 80 -2.769 -14.893 0.900 443 2HG PRO 80 2HG PRO 80 -1.809 -16.399 0.849 444 1HD PRO 80 1HD PRO 80 -3.200 -15.521 3.072 445 2HD PRO 80 2HD PRO 80 -1.732 -16.537 3.183 446 H ILE 81 H ILE 81 0.680 -11.902 1.493 447 HA ILE 81 HA ILE 81 -1.445 -9.850 1.690 448 HB ILE 81 HB ILE 81 0.382 -8.264 1.312 449 1HG1 ILE 81 1HG1 ILE 81 2.230 -10.703 1.269 450 2HG1 ILE 81 2HG1 ILE 81 1.897 -9.602 -0.073 451 1HG2 ILE 81 1HG2 ILE 81 -0.309 -9.079 3.602 452 2HG2 ILE 81 2HG2 ILE 81 1.065 -10.198 3.576 453 3HG2 ILE 81 3HG2 ILE 81 1.336 -8.446 3.534 454 1HD1 ILE 81 1HD1 ILE 81 2.817 -7.731 1.394 455 2HD1 ILE 81 2HD1 ILE 81 3.369 -9.003 2.502 456 3HD1 ILE 81 3HD1 ILE 81 3.999 -8.939 0.846 457 H ASP 82 H ASP 82 -1.465 -12.121 -0.213 458 HA ASP 82 HA ASP 82 -0.912 -11.186 -2.867 459 1HB ASP 82 1HB ASP 82 -1.654 -13.560 -1.839 460 2HB ASP 82 2HB ASP 82 -3.254 -13.022 -2.304 461 H LEU 83 H LEU 83 -2.427 -10.488 -4.473 462 HA LEU 83 HA LEU 83 -4.033 -8.285 -3.752 463 1HB LEU 83 1HB LEU 83 -3.227 -8.439 -5.986 464 2HB LEU 83 2HB LEU 83 -4.104 -9.947 -6.259 465 HG LEU 83 HG LEU 83 -6.269 -8.860 -6.079 466 1HD1 LEU 83 1HD1 LEU 83 -5.653 -7.037 -4.466 467 2HD1 LEU 83 2HD1 LEU 83 -4.719 -6.289 -5.785 468 3HD1 LEU 83 3HD1 LEU 83 -6.504 -6.519 -5.915 469 1HD2 LEU 83 1HD2 LEU 83 -4.386 -7.300 -7.850 470 2HD2 LEU 83 2HD2 LEU 83 -5.201 -8.841 -8.261 471 3HD2 LEU 83 3HD2 LEU 83 -6.161 -7.359 -7.993 472 H ILE 84 H ILE 84 -5.176 -11.643 -4.670 473 HA ILE 84 HA ILE 84 -7.846 -10.937 -4.510 474 HB ILE 84 HB ILE 84 -6.661 -13.680 -4.042 475 1HG1 ILE 84 1HG1 ILE 84 -5.220 -12.935 -5.765 476 2HG1 ILE 84 2HG1 ILE 84 -6.366 -14.025 -6.434 477 1HG2 ILE 84 1HG2 ILE 84 -9.116 -13.483 -4.092 478 2HG2 ILE 84 2HG2 ILE 84 -9.046 -12.728 -5.694 479 3HG2 ILE 84 3HG2 ILE 84 -8.531 -14.414 -5.481 480 1HD1 ILE 84 1HD1 ILE 84 -7.655 -12.133 -7.424 481 2HD1 ILE 84 2HD1 ILE 84 -6.474 -11.002 -6.741 482 3HD1 ILE 84 3HD1 ILE 84 -5.959 -12.165 -7.958 483 H THR 85 H THR 85 -5.651 -12.450 -2.154 484 HA THR 85 HA THR 85 -7.429 -12.852 -0.067 485 HB THR 85 HB THR 85 -4.429 -12.368 -0.128 486 HG1 THR 85 HG1 THR 85 -5.062 -14.885 0.281 487 1HG2 THR 85 1HG2 THR 85 -6.171 -13.526 2.082 488 2HG2 THR 85 2HG2 THR 85 -4.400 -13.661 2.016 489 3HG2 THR 85 3HG2 THR 85 -5.160 -12.079 2.140 490 H LEU 86 H LEU 86 -5.378 -10.104 -0.788 491 HA LEU 86 HA LEU 86 -5.993 -8.419 1.399 492 1HB LEU 86 1HB LEU 86 -4.172 -8.048 -0.269 493 2HB LEU 86 2HB LEU 86 -5.361 -7.615 -1.468 494 HG LEU 86 HG LEU 86 -6.123 -5.698 -0.094 495 1HD1 LEU 86 1HD1 LEU 86 -3.871 -6.559 1.768 496 2HD1 LEU 86 2HD1 LEU 86 -4.612 -4.944 1.796 497 3HD1 LEU 86 3HD1 LEU 86 -5.590 -6.367 2.170 498 1HD2 LEU 86 1HD2 LEU 86 -4.406 -5.439 -1.841 499 2HD2 LEU 86 2HD2 LEU 86 -4.188 -4.294 -0.511 500 3HD2 LEU 86 3HD2 LEU 86 -3.142 -5.735 -0.634 501 H ALA 87 H ALA 87 -7.421 -8.513 -1.829 502 HA ALA 87 HA ALA 87 -9.358 -6.503 -1.428 503 1HB ALA 87 1HB ALA 87 -8.773 -7.420 -3.640 504 2HB ALA 87 2HB ALA 87 -9.534 -8.964 -3.204 505 3HB ALA 87 3HB ALA 87 -10.525 -7.497 -3.334 506 H GLU 88 H GLU 88 -9.699 -10.056 -0.941 507 HA GLU 88 HA GLU 88 -12.411 -9.985 -0.012 508 1HB GLU 88 1HB GLU 88 -10.107 -11.891 0.042 509 2HB GLU 88 2HB GLU 88 -11.357 -12.194 1.228 510 1HG GLU 88 1HG GLU 88 -12.056 -11.782 -1.696 511 2HG GLU 88 2HG GLU 88 -11.483 -13.337 -1.112 512 H SER 89 H SER 89 -9.323 -9.380 1.669 513 HA SER 89 HA SER 89 -10.456 -9.512 4.292 514 1HB SER 89 1HB SER 89 -7.942 -9.570 3.314 515 2HB SER 89 2HB SER 89 -8.025 -7.855 3.691 516 HG SER 89 HG SER 89 -7.503 -8.651 5.666 517 H LEU 90 H LEU 90 -9.647 -6.879 2.042 518 HA LEU 90 HA LEU 90 -10.675 -4.703 3.580 519 1HB LEU 90 1HB LEU 90 -10.159 -5.180 0.632 520 2HB LEU 90 2HB LEU 90 -10.900 -3.695 1.180 521 HG LEU 90 HG LEU 90 -8.226 -4.663 2.271 522 1HD1 LEU 90 1HD1 LEU 90 -8.750 -2.784 -0.063 523 2HD1 LEU 90 2HD1 LEU 90 -7.161 -3.120 0.669 524 3HD1 LEU 90 3HD1 LEU 90 -8.048 -4.413 -0.147 525 1HD2 LEU 90 1HD2 LEU 90 -9.483 -1.870 2.196 526 2HD2 LEU 90 2HD2 LEU 90 -9.345 -2.892 3.640 527 3HD2 LEU 90 3HD2 LEU 90 -7.891 -2.283 2.863 528 H GLU 91 H GLU 91 -12.285 -6.934 1.287 529 HA GLU 91 HA GLU 91 -14.832 -5.605 1.426 530 1HB GLU 91 1HB GLU 91 -14.029 -8.499 0.798 531 2HB GLU 91 2HB GLU 91 -15.721 -8.014 0.868 532 1HG GLU 91 1HG GLU 91 -15.347 -6.318 -0.882 533 2HG GLU 91 2HG GLU 91 -13.666 -6.844 -0.997 534 H ARG 92 H ARG 92 -13.642 -8.403 3.468 535 HA ARG 92 HA ARG 92 -16.165 -8.326 4.830 536 1HB ARG 92 1HB ARG 92 -15.348 -9.798 6.420 537 2HB ARG 92 2HB ARG 92 -14.620 -10.285 4.896 538 1HG ARG 92 1HG ARG 92 -12.479 -9.287 5.572 539 2HG ARG 92 2HG ARG 92 -13.219 -8.622 7.023 540 1HD ARG 92 1HD ARG 92 -12.419 -10.503 8.032 541 2HD ARG 92 2HD ARG 92 -13.879 -11.227 7.398 542 HE ARG 92 HE ARG 92 -12.631 -12.458 5.898 543 1HH1 ARG 92 1HH1 ARG 92 -10.619 -9.980 7.346 544 2HH1 ARG 92 2HH1 ARG 92 -9.206 -10.318 6.405 545 1HH2 ARG 92 1HH2 ARG 92 -10.682 -13.168 4.797 546 2HH2 ARG 92 2HH2 ARG 92 -9.194 -12.358 5.136 547 H GLN 93 H GLN 93 -13.227 -6.391 5.204 548 HA GLN 93 HA GLN 93 -14.144 -5.054 7.612 549 1HB GLN 93 1HB GLN 93 -12.163 -4.192 5.467 550 2HB GLN 93 2HB GLN 93 -12.404 -3.352 6.991 551 1HG GLN 93 1HG GLN 93 -11.507 -6.257 6.905 552 2HG GLN 93 2HG GLN 93 -10.401 -4.901 6.760 553 1HE2 GLN 93 2HE2 GLN 93 -9.291 -5.456 8.700 554 2HE2 GLN 93 1HE2 GLN 93 -10.070 -5.404 10.290 555 H GLY 94 H GLY 94 -15.062 -4.696 4.164 556 1HA GLY 94 1HA GLY 94 -16.581 -3.233 3.261 557 2HA GLY 94 2HA GLY 94 -16.926 -2.588 4.876 558 H GLN 95 H GLN 95 -13.908 -2.828 3.014 559 HA GLN 95 HA GLN 95 -13.604 0.144 2.951 560 1HB GLN 95 1HB GLN 95 -11.550 -1.974 3.718 561 2HB GLN 95 2HB GLN 95 -11.168 -0.273 3.399 562 1HG GLN 95 1HG GLN 95 -12.640 0.417 5.260 563 2HG GLN 95 2HG GLN 95 -13.004 -1.289 5.582 564 1HE2 GLN 95 2HE2 GLN 95 -12.184 -0.759 7.759 565 2HE2 GLN 95 1HE2 GLN 95 -10.458 -0.810 8.066 566 H LEU 96 H LEU 96 -13.564 -2.816 1.143 567 HA LEU 96 HA LEU 96 -11.469 -2.295 -0.645 568 1HB LEU 96 1HB LEU 96 -12.666 -4.442 -0.548 569 2HB LEU 96 2HB LEU 96 -14.087 -3.685 -1.288 570 HG LEU 96 HG LEU 96 -12.803 -3.188 -3.333 571 1HD1 LEU 96 1HD1 LEU 96 -10.459 -4.429 -1.825 572 2HD1 LEU 96 2HD1 LEU 96 -10.493 -4.253 -3.586 573 3HD1 LEU 96 3HD1 LEU 96 -10.536 -2.816 -2.579 574 1HD2 LEU 96 1HD2 LEU 96 -13.896 -5.408 -3.050 575 2HD2 LEU 96 2HD2 LEU 96 -12.505 -5.436 -4.140 576 3HD2 LEU 96 3HD2 LEU 96 -12.329 -6.063 -2.499 577 H ASP 97 H ASP 97 -14.843 -1.167 -0.736 578 HA ASP 97 HA ASP 97 -14.778 0.281 -3.162 579 1HB ASP 97 1HB ASP 97 -16.729 1.302 -2.410 580 2HB ASP 97 2HB ASP 97 -16.768 -0.287 -1.646 581 H SER 98 H SER 98 -13.755 1.142 0.101 582 HA SER 98 HA SER 98 -13.404 3.940 -0.433 583 1HB SER 98 1HB SER 98 -12.638 2.207 1.954 584 2HB SER 98 2HB SER 98 -12.677 3.981 1.924 585 HG SER 98 HG SER 98 -14.902 2.232 1.413 586 H VAL 99 H VAL 99 -11.270 1.176 -0.800 587 HA VAL 99 HA VAL 99 -8.954 2.976 -1.019 588 HB VAL 99 HB VAL 99 -7.621 1.085 -1.583 589 1HG1 VAL 99 1HG1 VAL 99 -8.231 1.596 0.791 590 2HG1 VAL 99 2HG1 VAL 99 -9.430 0.306 0.748 591 3HG1 VAL 99 3HG1 VAL 99 -7.715 -0.083 0.516 592 1HG2 VAL 99 1HG2 VAL 99 -9.343 -0.257 -2.896 593 2HG2 VAL 99 2HG2 VAL 99 -8.354 -1.173 -1.756 594 3HG2 VAL 99 3HG2 VAL 99 -10.009 -0.753 -1.318 595 H GLY 100 H GLY 100 -11.586 2.184 -2.964 596 1HA GLY 100 1HA GLY 100 -11.764 3.476 -5.037 597 2HA GLY 100 2HA GLY 100 -10.129 2.988 -5.456 598 H GLY 101 H GLY 101 -11.805 0.396 -3.949 599 1HA GLY 101 1HA GLY 101 -13.153 -1.286 -4.719 600 2HA GLY 101 2HA GLY 101 -13.035 -0.687 -6.381 601 H PHE 102 H PHE 102 -12.709 -3.306 -6.045 602 HA PHE 102 HA PHE 102 -10.107 -4.392 -5.775 603 1HB PHE 102 1HB PHE 102 -12.360 -5.592 -6.316 604 2HB PHE 102 2HB PHE 102 -12.049 -5.170 -7.984 605 HD1 PHE 102 HD1 PHE 102 -9.792 -5.994 -9.055 606 HD2 PHE 102 HD2 PHE 102 -11.394 -7.513 -5.347 607 HE1 PHE 102 HE1 PHE 102 -8.281 -7.947 -9.196 608 HE2 PHE 102 HE2 PHE 102 -9.868 -9.461 -5.502 609 HZ PHE 102 HZ PHE 102 -8.300 -9.675 -7.400 610 H ALA 103 H ALA 103 -11.666 -2.689 -8.485 611 HA ALA 103 HA ALA 103 -9.687 -2.967 -10.419 612 1HB ALA 103 1HB ALA 103 -11.570 -0.620 -9.843 613 2HB ALA 103 2HB ALA 103 -10.707 -0.856 -11.365 614 3HB ALA 103 3HB ALA 103 -11.929 -2.035 -10.860 615 H TYR 104 H TYR 104 -9.670 -0.723 -7.621 616 HA TYR 104 HA TYR 104 -7.445 0.849 -8.625 617 1HB TYR 104 1HB TYR 104 -9.079 1.571 -6.866 618 2HB TYR 104 2HB TYR 104 -8.341 0.442 -5.741 619 HD1 TYR 104 HD1 TYR 104 -7.979 3.602 -7.593 620 HD2 TYR 104 HD2 TYR 104 -6.078 0.929 -4.795 621 HE1 TYR 104 HE1 TYR 104 -6.458 5.404 -6.934 622 HE2 TYR 104 HE2 TYR 104 -4.526 2.751 -4.124 623 HH TYR 104 HH TYR 104 -4.228 5.728 -5.861 624 H LEU 105 H LEU 105 -7.800 -1.959 -6.377 625 HA LEU 105 HA LEU 105 -4.982 -2.182 -5.830 626 1HB LEU 105 1HB LEU 105 -6.956 -4.478 -5.924 627 2HB LEU 105 2HB LEU 105 -5.420 -4.375 -5.058 628 HG LEU 105 HG LEU 105 -7.840 -2.712 -4.312 629 1HD1 LEU 105 1HD1 LEU 105 -8.184 -5.136 -3.932 630 2HD1 LEU 105 2HD1 LEU 105 -6.665 -5.217 -3.018 631 3HD1 LEU 105 3HD1 LEU 105 -8.024 -4.247 -2.411 632 1HD2 LEU 105 1HD2 LEU 105 -5.092 -3.161 -3.045 633 2HD2 LEU 105 2HD2 LEU 105 -5.729 -1.638 -3.697 634 3HD2 LEU 105 3HD2 LEU 105 -6.445 -2.346 -2.238 635 H ALA 106 H ALA 106 -7.070 -3.671 -8.358 636 HA ALA 106 HA ALA 106 -4.965 -5.255 -9.449 637 1HB ALA 106 1HB ALA 106 -7.521 -4.164 -10.697 638 2HB ALA 106 2HB ALA 106 -6.476 -5.433 -11.409 639 3HB ALA 106 3HB ALA 106 -7.317 -5.727 -9.881 640 H GLU 107 H GLU 107 -5.603 -1.810 -9.600 641 HA GLU 107 HA GLU 107 -4.115 -1.241 -12.001 642 1HB GLU 107 1HB GLU 107 -5.902 0.161 -10.645 643 2HB GLU 107 2HB GLU 107 -4.495 0.757 -9.764 644 1HG GLU 107 1HG GLU 107 -3.649 1.871 -11.603 645 2HG GLU 107 2HG GLU 107 -4.448 0.807 -12.772 646 H LEU 108 H LEU 108 -3.351 -0.822 -8.436 647 HA LEU 108 HA LEU 108 -0.603 -0.504 -8.570 648 1HB LEU 108 1HB LEU 108 -2.271 -2.148 -6.615 649 2HB LEU 108 2HB LEU 108 -0.547 -1.927 -6.482 650 HG LEU 108 HG LEU 108 -1.425 0.682 -6.853 651 1HD1 LEU 108 1HD1 LEU 108 -3.445 -0.717 -5.080 652 2HD1 LEU 108 2HD1 LEU 108 -3.134 1.031 -5.069 653 3HD1 LEU 108 3HD1 LEU 108 -3.739 0.275 -6.534 654 1HD2 LEU 108 1HD2 LEU 108 0.270 -0.187 -5.248 655 2HD2 LEU 108 2HD2 LEU 108 -0.850 0.936 -4.447 656 3HD2 LEU 108 3HD2 LEU 108 -1.024 -0.820 -4.225 657 H SER 109 H SER 109 -2.377 -3.591 -8.670 658 HA SER 109 HA SER 109 -0.097 -5.255 -8.711 659 1HB SER 109 1HB SER 109 -2.746 -5.639 -8.363 660 2HB SER 109 2HB SER 109 -2.636 -6.183 -10.041 661 HG SER 109 HG SER 109 -1.454 -7.840 -9.413 662 H LYS 110 H LYS 110 -2.127 -4.040 -11.441 663 HA LYS 110 HA LYS 110 -0.482 -5.439 -13.386 664 1HB LYS 110 1HB LYS 110 -1.810 -4.581 -15.074 665 2HB LYS 110 2HB LYS 110 -2.921 -4.724 -13.723 666 1HG LYS 110 1HG LYS 110 -2.552 -2.236 -13.303 667 2HG LYS 110 2HG LYS 110 -1.556 -2.191 -14.758 668 1HD LYS 110 1HD LYS 110 -3.717 -1.332 -15.260 669 2HD LYS 110 2HD LYS 110 -3.512 -2.870 -16.118 670 1HE LYS 110 1HE LYS 110 -4.913 -4.032 -14.525 671 2HE LYS 110 2HE LYS 110 -4.906 -2.652 -13.417 672 1HZ LYS 110 1HZ LYS 110 -6.128 -2.606 -16.113 673 2HZ LYS 110 2HZ LYS 110 -6.953 -2.813 -14.708 674 3HZ LYS 110 3HZ LYS 110 -6.181 -1.395 -15.009 675 H ASN 111 H ASN 111 -0.259 -2.382 -11.836 676 HA ASN 111 HA ASN 111 1.797 -1.369 -13.687 677 1HB ASN 111 1HB ASN 111 0.520 -0.124 -11.225 678 2HB ASN 111 2HB ASN 111 1.640 0.692 -12.309 679 1HD2 ASN 111 2HD2 ASN 111 -0.974 1.516 -11.599 680 2HD2 ASN 111 1HD2 ASN 111 -1.913 1.691 -13.082 681 H THR 112 H THR 112 2.254 -3.676 -11.921 682 HA THR 112 HA THR 112 4.467 -2.668 -10.204 683 HB THR 112 HB THR 112 3.205 -5.409 -10.204 684 HG1 THR 112 HG1 THR 112 1.975 -3.546 -9.294 685 1HG2 THR 112 1HG2 THR 112 5.256 -4.033 -8.397 686 2HG2 THR 112 2HG2 THR 112 4.585 -5.648 -8.145 687 3HG2 THR 112 3HG2 THR 112 5.617 -5.341 -9.541 688 HA PRO 113 HA PRO 113 6.897 -4.350 -13.745 689 1HB PRO 113 1HB PRO 113 9.210 -2.980 -13.319 690 2HB PRO 113 2HB PRO 113 7.743 -2.188 -13.955 691 1HG PRO 113 1HG PRO 113 8.664 -2.276 -11.061 692 2HG PRO 113 2HG PRO 113 8.235 -0.834 -12.047 693 1HD PRO 113 1HD PRO 113 6.412 -2.002 -10.432 694 2HD PRO 113 2HD PRO 113 5.942 -1.392 -12.039 695 H SER 114 H SER 114 6.326 -6.151 -11.928 696 HA SER 114 HA SER 114 6.962 -7.887 -10.605 697 1HB SER 114 1HB SER 114 9.456 -7.713 -12.341 698 2HB SER 114 2HB SER 114 8.878 -9.139 -11.461 699 HG SER 114 HG SER 114 7.527 -7.781 -13.575 700 H ALA 115 H ALA 115 7.283 -5.618 -9.166 701 HA ALA 115 HA ALA 115 8.031 -4.796 -7.273 702 1HB ALA 115 1HB ALA 115 8.126 -7.053 -6.385 703 2HB ALA 115 2HB ALA 115 9.797 -7.244 -6.962 704 3HB ALA 115 3HB ALA 115 9.422 -6.039 -5.725 705 H ALA 116 H ALA 116 10.959 -6.220 -8.728 706 HA ALA 116 HA ALA 116 13.049 -5.395 -9.053 707 1HB ALA 116 1HB ALA 116 11.298 -3.366 -10.500 708 2HB ALA 116 2HB ALA 116 13.033 -3.602 -10.799 709 3HB ALA 116 3HB ALA 116 11.900 -4.919 -11.117 710 H ASN 117 H ASN 117 12.415 -2.076 -9.256 711 HA ASN 117 HA ASN 117 14.339 -1.492 -7.186 712 1HB ASN 117 1HB ASN 117 12.619 0.315 -8.940 713 2HB ASN 117 2HB ASN 117 13.874 0.906 -7.864 714 1HD2 ASN 117 2HD2 ASN 117 16.073 0.914 -8.583 715 2HD2 ASN 117 1HD2 ASN 117 16.531 0.151 -10.082 716 H ILE 118 H ILE 118 11.845 -2.729 -6.185 717 HA ILE 118 HA ILE 118 9.986 -0.942 -5.139 718 HB ILE 118 HB ILE 118 9.961 -3.472 -5.351 719 1HG1 ILE 118 1HG1 ILE 118 8.885 -2.059 -2.913 720 2HG1 ILE 118 2HG1 ILE 118 8.106 -2.406 -4.468 721 1HG2 ILE 118 1HG2 ILE 118 12.077 -3.989 -4.169 722 2HG2 ILE 118 2HG2 ILE 118 11.208 -3.710 -2.633 723 3HG2 ILE 118 3HG2 ILE 118 10.694 -4.977 -3.758 724 1HD1 ILE 118 1HD1 ILE 118 8.163 -4.860 -3.868 725 2HD1 ILE 118 2HD1 ILE 118 8.762 -4.360 -2.267 726 3HD1 ILE 118 3HD1 ILE 118 7.163 -3.858 -2.788 727 H SER 119 H SER 119 12.737 -2.322 -3.424 728 HA SER 119 HA SER 119 12.472 -0.835 -1.086 729 1HB SER 119 1HB SER 119 15.150 -1.689 -2.222 730 2HB SER 119 2HB SER 119 14.653 -1.608 -0.518 731 HG SER 119 HG SER 119 14.598 -3.716 -1.281 732 H ALA 120 H ALA 120 13.767 0.222 -4.147 733 HA ALA 120 HA ALA 120 15.116 2.588 -3.094 734 1HB ALA 120 1HB ALA 120 15.842 1.533 -5.242 735 2HB ALA 120 2HB ALA 120 14.279 1.998 -5.964 736 3HB ALA 120 3HB ALA 120 15.391 3.244 -5.417 737 H TYR 121 H TYR 121 11.934 1.782 -4.682 738 HA TYR 121 HA TYR 121 10.953 4.484 -4.641 739 1HB TYR 121 1HB TYR 121 9.581 1.760 -4.639 740 2HB TYR 121 2HB TYR 121 8.722 3.282 -4.662 741 HD1 TYR 121 HD1 TYR 121 9.368 4.984 -6.577 742 HD2 TYR 121 HD2 TYR 121 9.971 0.718 -6.739 743 HE1 TYR 121 HE1 TYR 121 9.021 5.036 -9.014 744 HE2 TYR 121 HE2 TYR 121 9.723 0.770 -9.194 745 HH TYR 121 HH TYR 121 9.439 2.122 -11.044 746 H ALA 122 H ALA 122 10.809 1.740 -2.324 747 HA ALA 122 HA ALA 122 9.174 3.017 -0.409 748 1HB ALA 122 1HB ALA 122 9.719 0.576 -0.394 749 2HB ALA 122 2HB ALA 122 11.390 0.966 0.082 750 3HB ALA 122 3HB ALA 122 10.042 1.348 1.171 751 H ASP 123 H ASP 123 12.800 3.140 -0.741 752 HA ASP 123 HA ASP 123 13.009 4.792 1.589 753 1HB ASP 123 1HB ASP 123 14.869 3.574 0.117 754 2HB ASP 123 2HB ASP 123 15.054 5.196 -0.534 755 H ILE 124 H ILE 124 12.384 5.576 -1.797 756 HA ILE 124 HA ILE 124 12.542 8.443 -1.481 757 HB ILE 124 HB ILE 124 10.964 6.754 -3.449 758 1HG1 ILE 124 1HG1 ILE 124 13.405 8.533 -3.887 759 2HG1 ILE 124 2HG1 ILE 124 13.536 6.827 -3.490 760 1HG2 ILE 124 1HG2 ILE 124 9.762 8.906 -3.210 761 2HG2 ILE 124 2HG2 ILE 124 11.280 9.785 -3.494 762 3HG2 ILE 124 3HG2 ILE 124 10.550 8.794 -4.772 763 1HD1 ILE 124 1HD1 ILE 124 12.177 6.269 -5.532 764 2HD1 ILE 124 2HD1 ILE 124 12.270 7.987 -5.991 765 3HD1 ILE 124 3HD1 ILE 124 13.742 7.024 -5.865 766 H VAL 125 H VAL 125 9.824 6.155 -0.887 767 HA VAL 125 HA VAL 125 7.931 8.172 -0.078 768 HB VAL 125 HB VAL 125 8.122 5.177 0.449 769 1HG1 VAL 125 1HG1 VAL 125 5.770 7.043 0.989 770 2HG1 VAL 125 2HG1 VAL 125 5.719 5.271 1.043 771 3HG1 VAL 125 3HG1 VAL 125 6.703 6.155 2.209 772 1HG2 VAL 125 1HG2 VAL 125 7.811 5.814 -1.940 773 2HG2 VAL 125 2HG2 VAL 125 6.373 5.039 -1.283 774 3HG2 VAL 125 3HG2 VAL 125 6.432 6.810 -1.485 775 H ARG 126 H ARG 126 10.180 6.051 1.760 776 HA ARG 126 HA ARG 126 9.798 6.966 4.382 777 1HB ARG 126 1HB ARG 126 11.342 5.139 3.715 778 2HB ARG 126 2HB ARG 126 12.415 6.343 3.009 779 1HG ARG 126 1HG ARG 126 12.528 7.460 5.297 780 2HG ARG 126 2HG ARG 126 11.748 6.016 5.939 781 1HD ARG 126 1HD ARG 126 13.588 4.750 5.703 782 2HD ARG 126 2HD ARG 126 14.068 5.460 4.153 783 HE ARG 126 HE ARG 126 14.821 6.375 6.846 784 1HH1 ARG 126 1HH1 ARG 126 14.958 7.278 3.332 785 2HH1 ARG 126 2HH1 ARG 126 15.444 8.888 3.692 786 1HH2 ARG 126 1HH2 ARG 126 16.120 8.212 7.123 787 2HH2 ARG 126 2HH2 ARG 126 16.112 9.435 5.884 788 H GLU 127 H GLU 127 11.908 8.375 1.808 789 HA GLU 127 HA GLU 127 12.885 10.492 3.335 790 1HB GLU 127 1HB GLU 127 13.354 9.614 0.794 791 2HB GLU 127 2HB GLU 127 12.312 10.966 0.420 792 1HG GLU 127 1HG GLU 127 14.272 12.093 0.406 793 2HG GLU 127 2HG GLU 127 13.998 12.223 2.145 794 H ARG 128 H ARG 128 9.915 10.357 1.291 795 HA ARG 128 HA ARG 128 9.201 13.121 1.764 796 1HB ARG 128 1HB ARG 128 7.436 10.712 1.078 797 2HB ARG 128 2HB ARG 128 6.813 12.349 1.218 798 1HG ARG 128 1HG ARG 128 9.025 11.565 -0.684 799 2HG ARG 128 2HG ARG 128 7.343 11.544 -1.150 800 1HD ARG 128 1HD ARG 128 7.119 13.886 -1.085 801 2HD ARG 128 2HD ARG 128 8.456 14.097 0.041 802 HE ARG 128 HE ARG 128 9.683 13.038 -2.149 803 1HH1 ARG 128 1HH1 ARG 128 7.725 15.989 -1.594 804 2HH1 ARG 128 2HH1 ARG 128 8.668 16.969 -2.645 805 1HH2 ARG 128 1HH2 ARG 128 10.945 14.377 -3.546 806 2HH2 ARG 128 2HH2 ARG 128 10.625 16.080 -3.599 807 H ALA 129 H ALA 129 8.423 10.110 3.544 808 HA ALA 129 HA ALA 129 6.732 11.378 5.451 809 1HB ALA 129 1HB ALA 129 6.787 8.970 4.973 810 2HB ALA 129 2HB ALA 129 8.376 8.836 5.763 811 3HB ALA 129 3HB ALA 129 6.950 9.323 6.706 812 H VAL 130 H VAL 130 10.284 10.660 5.591 813 HA VAL 130 HA VAL 130 10.702 11.722 8.196 814 HB VAL 130 HB VAL 130 12.545 11.384 5.797 815 1HG1 VAL 130 1HG1 VAL 130 13.260 12.119 8.668 816 2HG1 VAL 130 2HG1 VAL 130 14.428 11.571 7.448 817 3HG1 VAL 130 3HG1 VAL 130 13.567 13.094 7.216 818 1HG2 VAL 130 1HG2 VAL 130 11.614 9.270 6.871 819 2HG2 VAL 130 2HG2 VAL 130 13.370 9.416 6.947 820 3HG2 VAL 130 3HG2 VAL 130 12.386 9.765 8.380 821 H VAL 131 H VAL 131 10.903 13.249 4.958 822 HA VAL 131 HA VAL 131 11.564 15.860 5.877 823 HB VAL 131 HB VAL 131 10.298 14.694 3.376 824 1HG1 VAL 131 1HG1 VAL 131 9.576 17.054 3.480 825 2HG1 VAL 131 2HG1 VAL 131 11.300 17.533 3.527 826 3HG1 VAL 131 3HG1 VAL 131 10.640 16.681 2.122 827 1HG2 VAL 131 1HG2 VAL 131 12.740 14.197 3.903 828 2HG2 VAL 131 2HG2 VAL 131 12.523 15.114 2.407 829 3HG2 VAL 131 3HG2 VAL 131 13.047 15.930 3.895 830 H ARG 132 H ARG 132 8.416 14.194 5.610 831 HA ARG 132 HA ARG 132 6.824 16.498 6.301 832 1HB ARG 132 1HB ARG 132 6.053 14.239 5.251 833 2HB ARG 132 2HB ARG 132 6.109 13.612 6.891 834 1HG ARG 132 1HG ARG 132 4.622 16.028 7.065 835 2HG ARG 132 2HG ARG 132 4.095 15.280 5.569 836 1HD ARG 132 1HD ARG 132 4.122 14.047 8.348 837 2HD ARG 132 2HD ARG 132 2.692 14.598 7.465 838 HE ARG 132 HE ARG 132 4.043 12.563 5.955 839 1HH1 ARG 132 1HH1 ARG 132 2.208 12.968 8.964 840 2HH1 ARG 132 2HH1 ARG 132 1.709 11.330 9.093 841 1HH2 ARG 132 1HH2 ARG 132 3.293 10.312 6.037 842 2HH2 ARG 132 2HH2 ARG 132 2.410 9.785 7.400 843 H GLU 133 H GLU 133 8.381 13.975 8.163 844 HA GLU 133 HA GLU 133 7.343 14.889 10.707 845 1HB GLU 133 1HB GLU 133 7.946 12.957 11.463 846 2HB GLU 133 2HB GLU 133 8.376 12.533 9.828 847 1HG GLU 133 1HG GLU 133 10.749 13.349 10.379 848 2HG GLU 133 2HG GLU 133 10.206 13.445 12.057 849 H MET 134 H MET 134 10.016 15.809 8.721 850 HA MET 134 HA MET 134 11.205 17.567 10.775 851 1HB MET 134 1HB MET 134 11.919 16.926 7.885 852 2HB MET 134 2HB MET 134 12.743 18.149 8.853 853 1HG MET 134 1HG MET 134 13.247 16.422 10.582 854 2HG MET 134 2HG MET 134 12.587 15.188 9.508 855 1HE MET 134 1HE MET 134 15.439 15.170 10.898 856 2HE MET 134 2HE MET 134 14.885 13.858 9.835 857 3HE MET 134 3HE MET 134 16.485 14.596 9.582 858 H ILE 135 H ILE 135 8.420 17.750 9.203 859 HA ILE 135 HA ILE 135 7.040 19.256 8.394 860 HB ILE 135 HB ILE 135 8.218 21.180 10.368 861 1HG1 ILE 135 1HG1 ILE 135 6.518 19.741 11.989 862 2HG1 ILE 135 2HG1 ILE 135 7.272 18.457 11.071 863 1HG2 ILE 135 1HG2 ILE 135 6.146 21.790 9.113 864 2HG2 ILE 135 2HG2 ILE 135 5.345 20.340 9.749 865 3HG2 ILE 135 3HG2 ILE 135 5.833 21.649 10.840 866 1HD1 ILE 135 1HD1 ILE 135 9.542 19.520 11.728 867 2HD1 ILE 135 2HD1 ILE 135 8.609 20.555 12.820 868 3HD1 ILE 135 3HD1 ILE 135 8.598 18.789 13.020 869 H SER 136 H SER 136 8.843 19.084 6.567 870 HA SER 136 HA SER 136 10.655 20.891 5.832 871 1HB SER 136 1HB SER 136 10.177 20.189 3.516 872 2HB SER 136 2HB SER 136 10.158 18.854 4.692 873 HG SER 136 HG SER 136 7.838 20.307 4.059 Start of MODEL 9 1 1H MET 23 1H MET 23 10.686 27.467 -2.398 2 2H MET 23 2H MET 23 9.102 27.426 -1.989 3 3H MET 23 3H MET 23 9.941 28.830 -1.841 4 HA MET 23 HA MET 23 11.369 27.793 -0.187 5 1HB MET 23 1HB MET 23 8.418 27.691 0.503 6 2HB MET 23 2HB MET 23 9.732 27.722 1.661 7 1HG MET 23 1HG MET 23 10.411 29.941 0.937 8 2HG MET 23 2HG MET 23 9.225 29.922 -0.372 9 1HE MET 23 1HE MET 23 8.169 32.195 0.218 10 2HE MET 23 2HE MET 23 7.672 32.665 1.859 11 3HE MET 23 3HE MET 23 9.392 32.387 1.499 12 H LYS 24 H LYS 24 8.539 25.604 0.369 13 HA LYS 24 HA LYS 24 9.934 23.413 -1.003 14 1HB LYS 24 1HB LYS 24 9.405 23.599 1.957 15 2HB LYS 24 2HB LYS 24 8.903 22.110 1.206 16 1HG LYS 24 1HG LYS 24 11.745 23.185 1.104 17 2HG LYS 24 2HG LYS 24 11.116 21.945 2.200 18 1HD LYS 24 1HD LYS 24 10.403 20.639 0.085 19 2HD LYS 24 2HD LYS 24 11.465 21.769 -0.792 20 1HE LYS 24 1HE LYS 24 13.370 21.086 0.606 21 2HE LYS 24 2HE LYS 24 12.336 19.967 1.510 22 1HZ LYS 24 1HZ LYS 24 12.809 19.775 -1.412 23 2HZ LYS 24 2HZ LYS 24 13.667 18.965 -0.288 24 3HZ LYS 24 3HZ LYS 24 12.095 18.625 -0.467 25 H VAL 25 H VAL 25 8.426 21.614 -1.392 26 HA VAL 25 HA VAL 25 5.571 22.142 -0.874 27 HB VAL 25 HB VAL 25 6.746 21.143 -3.512 28 1HG1 VAL 25 1HG1 VAL 25 3.832 21.602 -2.712 29 2HG1 VAL 25 2HG1 VAL 25 4.401 21.139 -4.326 30 3HG1 VAL 25 3HG1 VAL 25 4.597 20.025 -2.979 31 1HG2 VAL 25 1HG2 VAL 25 5.242 23.718 -2.951 32 2HG2 VAL 25 2HG2 VAL 25 6.954 23.597 -3.367 33 3HG2 VAL 25 3HG2 VAL 25 5.739 23.119 -4.551 34 HA PRO 26 HA PRO 26 6.481 17.901 0.625 35 1HB PRO 26 1HB PRO 26 3.891 16.966 0.795 36 2HB PRO 26 2HB PRO 26 4.706 17.941 2.052 37 1HG PRO 26 1HG PRO 26 2.753 18.843 -0.064 38 2HG PRO 26 2HG PRO 26 2.872 19.358 1.645 39 1HD PRO 26 1HD PRO 26 3.855 20.820 -0.452 40 2HD PRO 26 2HD PRO 26 4.599 20.857 1.173 41 HA PRO 27 HA PRO 27 6.323 17.084 -3.775 42 1HB PRO 27 1HB PRO 27 7.753 14.519 -3.288 43 2HB PRO 27 2HB PRO 27 8.228 15.905 -4.295 44 1HG PRO 27 1HG PRO 27 9.435 15.316 -1.880 45 2HG PRO 27 2HG PRO 27 9.255 16.986 -2.481 46 1HD PRO 27 1HD PRO 27 7.603 15.539 -0.433 47 2HD PRO 27 2HD PRO 27 8.129 17.244 -0.477 48 H HIS 28 H HIS 28 5.431 14.667 -1.397 49 HA HIS 28 HA HIS 28 4.062 12.903 -1.268 50 1HB HIS 28 1HB HIS 28 2.719 13.640 -3.882 51 2HB HIS 28 2HB HIS 28 2.129 12.588 -2.623 52 HD1 HIS 28 HD1 HIS 28 3.128 16.410 -2.504 53 HD2 HIS 28 HD2 HIS 28 0.062 13.668 -1.557 54 HE1 HIS 28 HE1 HIS 28 1.239 17.773 -1.618 55 H SER 29 H SER 29 3.735 10.611 -2.514 56 HA SER 29 HA SER 29 5.235 10.450 -5.011 57 1HB SER 29 1HB SER 29 6.252 9.228 -2.427 58 2HB SER 29 2HB SER 29 6.614 8.490 -3.990 59 HG SER 29 HG SER 29 6.860 11.243 -3.830 60 H ILE 30 H ILE 30 2.612 10.332 -4.487 61 HA ILE 30 HA ILE 30 1.186 8.151 -3.888 62 HB ILE 30 HB ILE 30 0.931 9.736 -6.492 63 1HG1 ILE 30 1HG1 ILE 30 1.150 11.360 -4.702 64 2HG1 ILE 30 2HG1 ILE 30 -0.461 11.382 -5.382 65 1HG2 ILE 30 1HG2 ILE 30 -0.640 7.848 -6.451 66 2HG2 ILE 30 2HG2 ILE 30 -1.319 8.426 -4.918 67 3HG2 ILE 30 3HG2 ILE 30 -1.478 9.396 -6.389 68 1HD1 ILE 30 1HD1 ILE 30 0.220 9.870 -2.827 69 2HD1 ILE 30 2HD1 ILE 30 -0.377 11.538 -2.866 70 3HD1 ILE 30 3HD1 ILE 30 -1.391 10.236 -3.500 71 H GLU 31 H GLU 31 2.726 8.564 -7.115 72 HA GLU 31 HA GLU 31 1.895 5.986 -7.973 73 1HB GLU 31 1HB GLU 31 3.848 8.021 -9.066 74 2HB GLU 31 2HB GLU 31 3.340 6.553 -9.914 75 1HG GLU 31 1HG GLU 31 0.909 7.231 -9.481 76 2HG GLU 31 2HG GLU 31 1.461 8.740 -8.805 77 H ALA 32 H ALA 32 4.967 7.006 -6.595 78 HA ALA 32 HA ALA 32 6.217 4.381 -6.887 79 1HB ALA 32 1HB ALA 32 7.626 6.354 -6.449 80 2HB ALA 32 2HB ALA 32 6.850 6.551 -4.853 81 3HB ALA 32 3HB ALA 32 7.826 5.117 -5.195 82 H GLU 33 H GLU 33 4.261 5.966 -4.340 83 HA GLU 33 HA GLU 33 4.266 3.900 -2.393 84 1HB GLU 33 1HB GLU 33 2.139 5.946 -3.130 85 2HB GLU 33 2HB GLU 33 2.039 4.934 -1.731 86 1HG GLU 33 1HG GLU 33 3.784 6.070 -0.636 87 2HG GLU 33 2HG GLU 33 4.385 6.804 -2.124 88 H GLN 34 H GLN 34 2.044 4.530 -5.138 89 HA GLN 34 HA GLN 34 0.389 2.298 -4.950 90 1HB GLN 34 1HB GLN 34 1.381 3.828 -7.394 91 2HB GLN 34 2HB GLN 34 0.274 2.495 -7.499 92 1HG GLN 34 1HG GLN 34 -1.323 3.750 -6.018 93 2HG GLN 34 2HG GLN 34 -0.295 5.159 -6.192 94 1HE2 GLN 34 2HE2 GLN 34 -2.791 3.339 -7.648 95 2HE2 GLN 34 1HE2 GLN 34 -2.716 3.996 -9.273 96 H SER 35 H SER 35 3.604 2.593 -6.621 97 HA SER 35 HA SER 35 3.566 -0.175 -7.446 98 1HB SER 35 1HB SER 35 5.742 1.946 -7.404 99 2HB SER 35 2HB SER 35 5.954 0.307 -8.037 100 HG SER 35 HG SER 35 3.926 0.840 -9.287 101 H VAL 36 H VAL 36 4.679 1.339 -4.461 102 HA VAL 36 HA VAL 36 6.203 -1.012 -3.652 103 HB VAL 36 HB VAL 36 4.774 1.129 -1.990 104 1HG1 VAL 36 1HG1 VAL 36 6.593 -1.132 -1.065 105 2HG1 VAL 36 2HG1 VAL 36 6.120 0.261 -0.068 106 3HG1 VAL 36 3HG1 VAL 36 4.893 -0.885 -0.612 107 1HG2 VAL 36 1HG2 VAL 36 6.775 1.913 -3.243 108 2HG2 VAL 36 2HG2 VAL 36 7.035 1.929 -1.503 109 3HG2 VAL 36 3HG2 VAL 36 7.738 0.627 -2.489 110 H LEU 37 H LEU 37 2.814 0.054 -3.159 111 HA LEU 37 HA LEU 37 1.964 -2.355 -1.877 112 1HB LEU 37 1HB LEU 37 0.371 -0.373 -3.551 113 2HB LEU 37 2HB LEU 37 -0.316 -1.577 -2.461 114 HG LEU 37 HG LEU 37 1.514 0.734 -1.628 115 1HD1 LEU 37 1HD1 LEU 37 -1.468 0.350 -1.323 116 2HD1 LEU 37 2HD1 LEU 37 -0.476 1.636 -0.586 117 3HD1 LEU 37 3HD1 LEU 37 -0.633 1.542 -2.349 118 1HD2 LEU 37 1HD2 LEU 37 0.226 -1.447 0.016 119 2HD2 LEU 37 2HD2 LEU 37 1.920 -0.953 -0.048 120 3HD2 LEU 37 3HD2 LEU 37 0.734 0.116 0.700 121 H GLY 38 H GLY 38 1.947 -1.411 -5.307 122 1HA GLY 38 1HA GLY 38 0.845 -3.724 -6.466 123 2HA GLY 38 2HA GLY 38 2.061 -2.660 -7.200 124 H GLY 39 H GLY 39 4.316 -2.956 -5.759 125 1HA GLY 39 1HA GLY 39 5.417 -5.385 -6.576 126 2HA GLY 39 2HA GLY 39 6.107 -4.255 -5.406 127 H LEU 40 H LEU 40 4.041 -4.436 -3.424 128 HA LEU 40 HA LEU 40 4.844 -6.793 -1.999 129 1HB LEU 40 1HB LEU 40 2.656 -4.716 -1.574 130 2HB LEU 40 2HB LEU 40 2.915 -6.044 -0.462 131 HG LEU 40 HG LEU 40 5.024 -3.944 -1.138 132 1HD1 LEU 40 1HD1 LEU 40 3.172 -4.257 1.252 133 2HD1 LEU 40 2HD1 LEU 40 4.540 -3.136 1.175 134 3HD1 LEU 40 3HD1 LEU 40 3.173 -2.942 0.069 135 1HD2 LEU 40 1HD2 LEU 40 5.005 -6.193 0.887 136 2HD2 LEU 40 2HD2 LEU 40 6.122 -5.986 -0.481 137 3HD2 LEU 40 3HD2 LEU 40 6.178 -4.850 0.857 138 H MET 41 H MET 41 1.804 -6.004 -3.785 139 HA MET 41 HA MET 41 0.623 -8.598 -3.219 140 1HB MET 41 1HB MET 41 0.159 -6.522 -5.412 141 2HB MET 41 2HB MET 41 -0.709 -8.064 -5.366 142 1HG MET 41 1HG MET 41 -1.642 -7.589 -3.211 143 2HG MET 41 2HG MET 41 -0.695 -6.113 -3.051 144 1HE MET 41 1HE MET 41 -1.427 -3.888 -3.668 145 2HE MET 41 2HE MET 41 -1.041 -4.233 -5.373 146 3HE MET 41 3HE MET 41 -2.598 -3.482 -4.938 147 H LEU 42 H LEU 42 2.967 -7.458 -5.593 148 HA LEU 42 HA LEU 42 2.944 -9.811 -7.232 149 1HB LEU 42 1HB LEU 42 4.403 -7.284 -7.076 150 2HB LEU 42 2HB LEU 42 5.460 -8.606 -7.536 151 HG LEU 42 HG LEU 42 2.747 -8.370 -8.869 152 1HD1 LEU 42 1HD1 LEU 42 5.157 -6.688 -9.613 153 2HD1 LEU 42 2HD1 LEU 42 3.688 -6.914 -10.603 154 3HD1 LEU 42 3HD1 LEU 42 3.578 -6.124 -9.022 155 1HD2 LEU 42 1HD2 LEU 42 4.188 -10.336 -9.263 156 2HD2 LEU 42 2HD2 LEU 42 3.975 -9.386 -10.748 157 3HD2 LEU 42 3HD2 LEU 42 5.495 -9.291 -9.828 158 H ASP 43 H ASP 43 5.163 -8.790 -4.684 159 HA ASP 43 HA ASP 43 6.048 -11.614 -4.244 160 1HB ASP 43 1HB ASP 43 7.601 -10.617 -5.759 161 2HB ASP 43 2HB ASP 43 7.861 -9.227 -4.693 162 H ASN 44 H ASN 44 4.651 -11.519 -2.622 163 HA ASN 44 HA ASN 44 4.370 -9.633 -0.652 164 1HB ASN 44 1HB ASN 44 3.412 -11.351 0.840 165 2HB ASN 44 2HB ASN 44 2.706 -11.263 -0.778 166 1HD2 ASN 44 2HD2 ASN 44 3.106 -12.949 -2.232 167 2HD2 ASN 44 1HD2 ASN 44 3.447 -14.549 -1.564 168 H GLU 45 H GLU 45 7.038 -11.880 -0.767 169 HA GLU 45 HA GLU 45 7.608 -11.703 2.114 170 1HB GLU 45 1HB GLU 45 9.660 -12.333 -0.004 171 2HB GLU 45 2HB GLU 45 9.613 -12.859 1.674 172 1HG GLU 45 1HG GLU 45 7.505 -14.197 1.053 173 2HG GLU 45 2HG GLU 45 7.889 -13.849 -0.639 174 H ARG 46 H ARG 46 8.038 -9.540 -0.559 175 HA ARG 46 HA ARG 46 10.264 -8.076 0.615 176 1HB ARG 46 1HB ARG 46 8.188 -7.345 -1.505 177 2HB ARG 46 2HB ARG 46 9.545 -6.319 -1.062 178 1HG ARG 46 1HG ARG 46 10.013 -9.191 -1.951 179 2HG ARG 46 2HG ARG 46 9.821 -7.886 -3.125 180 1HD ARG 46 1HD ARG 46 11.793 -6.810 -2.480 181 2HD ARG 46 2HD ARG 46 11.730 -7.426 -0.847 182 HE ARG 46 HE ARG 46 13.128 -8.997 -1.408 183 1HH1 ARG 46 1HH1 ARG 46 11.177 -9.260 -4.268 184 2HH1 ARG 46 2HH1 ARG 46 12.495 -9.446 -5.363 185 1HH2 ARG 46 1HH2 ARG 46 14.838 -9.582 -2.764 186 2HH2 ARG 46 2HH2 ARG 46 14.676 -9.628 -4.485 187 H TRP 47 H TRP 47 7.071 -8.520 1.655 188 HA TRP 47 HA TRP 47 6.295 -6.044 2.716 189 1HB TRP 47 1HB TRP 47 4.975 -8.093 3.013 190 2HB TRP 47 2HB TRP 47 6.243 -8.800 4.022 191 HD1 TRP 47 HD1 TRP 47 6.389 -8.005 6.518 192 HE1 TRP 47 HE1 TRP 47 5.079 -6.374 8.007 193 HE3 TRP 47 HE3 TRP 47 3.591 -5.733 2.922 194 HZ2 TRP 47 HZ2 TRP 47 3.175 -4.262 7.650 195 HZ3 TRP 47 HZ3 TRP 47 2.090 -3.835 3.504 196 HH2 TRP 47 HH2 TRP 47 1.853 -3.130 5.859 197 H ASP 48 H ASP 48 8.638 -8.388 4.093 198 HA ASP 48 HA ASP 48 9.248 -6.726 6.374 199 1HB ASP 48 1HB ASP 48 10.515 -9.097 4.948 200 2HB ASP 48 2HB ASP 48 11.406 -8.257 6.191 201 H ASP 49 H ASP 49 10.461 -6.633 3.159 202 HA ASP 49 HA ASP 49 12.981 -5.227 3.906 203 1HB ASP 49 1HB ASP 49 13.549 -6.342 2.008 204 2HB ASP 49 2HB ASP 49 11.883 -6.500 1.470 205 H VAL 50 H VAL 50 9.872 -4.549 2.321 206 HA VAL 50 HA VAL 50 10.136 -1.691 2.195 207 HB VAL 50 HB VAL 50 7.852 -3.700 2.246 208 1HG1 VAL 50 1HG1 VAL 50 7.699 -0.699 1.678 209 2HG1 VAL 50 2HG1 VAL 50 6.398 -1.873 1.382 210 3HG1 VAL 50 3HG1 VAL 50 6.934 -1.559 3.033 211 1HG2 VAL 50 1HG2 VAL 50 9.320 -3.777 0.232 212 2HG2 VAL 50 2HG2 VAL 50 7.705 -3.194 -0.175 213 3HG2 VAL 50 3HG2 VAL 50 9.060 -2.050 -0.033 214 H ALA 51 H ALA 51 8.719 -3.893 4.735 215 HA ALA 51 HA ALA 51 7.905 -1.781 6.391 216 1HB ALA 51 1HB ALA 51 6.985 -4.057 6.579 217 2HB ALA 51 2HB ALA 51 8.559 -4.645 7.175 218 3HB ALA 51 3HB ALA 51 7.612 -3.492 8.136 219 H GLU 52 H GLU 52 11.068 -3.084 5.929 220 HA GLU 52 HA GLU 52 12.255 -2.045 8.303 221 1HB GLU 52 1HB GLU 52 13.015 -3.468 5.908 222 2HB GLU 52 2HB GLU 52 14.065 -2.073 6.011 223 1HG GLU 52 1HG GLU 52 13.608 -3.847 8.431 224 2HG GLU 52 2HG GLU 52 14.668 -4.350 7.121 225 H ARG 53 H ARG 53 11.288 -0.695 5.202 226 HA ARG 53 HA ARG 53 12.871 1.806 5.561 227 1HB ARG 53 1HB ARG 53 11.222 0.651 3.282 228 2HB ARG 53 2HB ARG 53 11.644 2.352 3.313 229 1HG ARG 53 1HG ARG 53 13.099 0.874 1.894 230 2HG ARG 53 2HG ARG 53 13.941 1.953 3.006 231 1HD ARG 53 1HD ARG 53 14.535 0.205 4.473 232 2HD ARG 53 2HD ARG 53 13.336 -0.897 3.790 233 HE ARG 53 HE ARG 53 14.837 -0.638 1.647 234 1HH1 ARG 53 1HH1 ARG 53 15.674 -1.409 4.999 235 2HH1 ARG 53 2HH1 ARG 53 17.028 -2.398 4.593 236 1HH2 ARG 53 1HH2 ARG 53 16.563 -1.971 1.096 237 2HH2 ARG 53 2HH2 ARG 53 17.678 -2.559 2.317 238 H VAL 54 H VAL 54 9.479 0.611 5.559 239 HA VAL 54 HA VAL 54 8.624 3.243 6.607 240 HB VAL 54 HB VAL 54 6.726 2.987 5.030 241 1HG1 VAL 54 1HG1 VAL 54 8.637 4.508 4.545 242 2HG1 VAL 54 2HG1 VAL 54 9.363 3.223 3.550 243 3HG1 VAL 54 3HG1 VAL 54 7.806 3.924 3.088 244 1HG2 VAL 54 1HG2 VAL 54 6.978 0.566 4.452 245 2HG2 VAL 54 2HG2 VAL 54 6.748 1.650 3.069 246 3HG2 VAL 54 3HG2 VAL 54 8.358 1.026 3.428 247 H VAL 55 H VAL 55 6.360 3.158 7.383 248 HA VAL 55 HA VAL 55 5.250 0.497 7.996 249 HB VAL 55 HB VAL 55 4.542 1.320 10.241 250 1HG1 VAL 55 1HG1 VAL 55 6.499 -0.204 9.968 251 2HG1 VAL 55 2HG1 VAL 55 7.573 1.206 9.921 252 3HG1 VAL 55 3HG1 VAL 55 6.646 0.853 11.385 253 1HG2 VAL 55 1HG2 VAL 55 4.835 3.764 9.899 254 2HG2 VAL 55 2HG2 VAL 55 5.667 3.153 11.340 255 3HG2 VAL 55 3HG2 VAL 55 6.592 3.522 9.877 256 H ALA 56 H ALA 56 2.831 0.925 8.712 257 HA ALA 56 HA ALA 56 1.498 2.029 6.573 258 1HB ALA 56 1HB ALA 56 0.429 0.538 8.256 259 2HB ALA 56 2HB ALA 56 0.468 1.866 9.436 260 3HB ALA 56 3HB ALA 56 -0.525 2.009 7.971 261 H ASP 57 H ASP 57 2.500 3.806 9.492 262 HA ASP 57 HA ASP 57 0.798 6.047 9.116 263 1HB ASP 57 1HB ASP 57 2.229 5.403 11.159 264 2HB ASP 57 2HB ASP 57 3.572 6.204 10.356 265 H ASP 58 H ASP 58 3.858 5.228 7.613 266 HA ASP 58 HA ASP 58 4.658 7.824 6.748 267 1HB ASP 58 1HB ASP 58 5.338 5.026 5.743 268 2HB ASP 58 2HB ASP 58 6.125 6.492 5.219 269 H PHE 59 H PHE 59 2.334 5.484 5.514 270 HA PHE 59 HA PHE 59 2.182 6.713 2.849 271 1HB PHE 59 1HB PHE 59 0.593 4.509 4.212 272 2HB PHE 59 2HB PHE 59 0.289 5.105 2.593 273 HD1 PHE 59 HD1 PHE 59 2.692 3.246 4.725 274 HD2 PHE 59 HD2 PHE 59 1.786 4.552 0.714 275 HE1 PHE 59 HE1 PHE 59 4.362 1.673 3.837 276 HE2 PHE 59 HE2 PHE 59 3.396 2.892 -0.186 277 HZ PHE 59 HZ PHE 59 4.703 1.459 1.380 278 H TYR 60 H TYR 60 1.845 8.849 3.830 279 HA TYR 60 HA TYR 60 -0.344 9.815 5.243 280 1HB TYR 60 1HB TYR 60 1.332 11.333 4.528 281 2HB TYR 60 2HB TYR 60 1.203 10.841 2.846 282 HD1 TYR 60 HD1 TYR 60 -0.792 12.488 5.548 283 HD2 TYR 60 HD2 TYR 60 -0.118 12.084 1.307 284 HE1 TYR 60 HE1 TYR 60 -2.297 14.424 5.138 285 HE2 TYR 60 HE2 TYR 60 -1.611 14.007 0.889 286 HH TYR 60 HH TYR 60 -3.156 15.430 1.824 287 H THR 61 H THR 61 -0.303 8.623 1.911 288 HA THR 61 HA THR 61 -2.669 9.759 0.978 289 HB THR 61 HB THR 61 -1.279 7.512 -0.082 290 HG1 THR 61 HG1 THR 61 0.383 8.728 -0.593 291 1HG2 THR 61 1HG2 THR 61 -3.359 8.306 -1.212 292 2HG2 THR 61 2HG2 THR 61 -2.594 9.902 -1.395 293 3HG2 THR 61 3HG2 THR 61 -1.924 8.472 -2.229 294 H ARG 62 H ARG 62 -4.685 9.193 1.746 295 HA ARG 62 HA ARG 62 -5.299 7.222 3.497 296 1HB ARG 62 1HB ARG 62 -6.952 8.666 1.442 297 2HB ARG 62 2HB ARG 62 -7.679 7.320 2.321 298 1HG ARG 62 1HG ARG 62 -7.264 8.349 4.457 299 2HG ARG 62 2HG ARG 62 -6.320 9.657 3.725 300 1HD ARG 62 1HD ARG 62 -8.762 10.195 4.356 301 2HD ARG 62 2HD ARG 62 -8.197 10.665 2.752 302 HE ARG 62 HE ARG 62 -9.706 9.341 1.784 303 1HH1 ARG 62 1HH1 ARG 62 -9.634 8.234 5.236 304 2HH1 ARG 62 2HH1 ARG 62 -10.881 7.068 4.917 305 1HH2 ARG 62 1HH2 ARG 62 -10.934 7.458 1.443 306 2HH2 ARG 62 2HH2 ARG 62 -11.779 6.758 2.794 307 HA PRO 63 HA PRO 63 -6.822 3.851 0.524 308 1HB PRO 63 1HB PRO 63 -5.918 3.750 -2.088 309 2HB PRO 63 2HB PRO 63 -7.422 4.590 -1.600 310 1HG PRO 63 1HG PRO 63 -4.695 5.824 -2.029 311 2HG PRO 63 2HG PRO 63 -6.282 6.357 -2.669 312 1HD PRO 63 1HD PRO 63 -5.247 7.497 -0.459 313 2HD PRO 63 2HD PRO 63 -6.989 7.126 -0.529 314 H HIS 64 H HIS 64 -3.532 5.207 -0.005 315 HA HIS 64 HA HIS 64 -2.294 2.630 -0.199 316 1HB HIS 64 1HB HIS 64 -1.055 5.328 0.534 317 2HB HIS 64 2HB HIS 64 -0.203 3.887 0.014 318 HD1 HIS 64 HD1 HIS 64 0.221 6.468 -1.665 319 HD2 HIS 64 HD2 HIS 64 -2.654 3.468 -2.433 320 HE1 HIS 64 HE1 HIS 64 -0.378 6.608 -4.181 321 H ARG 65 H ARG 65 -2.969 4.905 2.449 322 HA ARG 65 HA ARG 65 -1.601 3.559 4.531 323 1HB ARG 65 1HB ARG 65 -2.864 5.935 4.317 324 2HB ARG 65 2HB ARG 65 -4.187 5.051 5.064 325 1HG ARG 65 1HG ARG 65 -2.775 4.459 6.972 326 2HG ARG 65 2HG ARG 65 -1.341 5.081 6.151 327 1HD ARG 65 1HD ARG 65 -2.106 6.639 7.855 328 2HD ARG 65 2HD ARG 65 -2.153 7.355 6.241 329 HE ARG 65 HE ARG 65 -4.702 6.221 6.811 330 1HH1 ARG 65 1HH1 ARG 65 -2.659 8.840 8.003 331 2HH1 ARG 65 2HH1 ARG 65 -3.955 9.788 8.599 332 1HH2 ARG 65 1HH2 ARG 65 -6.446 7.525 7.436 333 2HH2 ARG 65 2HH2 ARG 65 -6.188 9.086 8.159 334 H HIS 66 H HIS 66 -5.080 3.410 3.558 335 HA HIS 66 HA HIS 66 -5.933 1.368 5.188 336 1HB HIS 66 1HB HIS 66 -6.499 2.146 2.269 337 2HB HIS 66 2HB HIS 66 -7.348 0.820 3.025 338 HD1 HIS 66 HD1 HIS 66 -7.974 4.313 2.375 339 HD2 HIS 66 HD2 HIS 66 -8.529 1.484 5.384 340 HE1 HIS 66 HE1 HIS 66 -9.989 5.143 3.718 341 H ILE 67 H ILE 67 -4.562 0.940 1.888 342 HA ILE 67 HA ILE 67 -4.681 -1.865 1.964 343 HB ILE 67 HB ILE 67 -2.878 0.041 0.437 344 1HG1 ILE 67 1HG1 ILE 67 -5.222 -1.635 -0.572 345 2HG1 ILE 67 2HG1 ILE 67 -5.462 -0.028 0.084 346 1HG2 ILE 67 1HG2 ILE 67 -3.220 -2.976 0.149 347 2HG2 ILE 67 2HG2 ILE 67 -2.432 -1.958 -1.081 348 3HG2 ILE 67 3HG2 ILE 67 -1.740 -2.125 0.532 349 1HD1 ILE 67 1HD1 ILE 67 -3.909 0.926 -1.617 350 2HD1 ILE 67 2HD1 ILE 67 -3.779 -0.690 -2.346 351 3HD1 ILE 67 3HD1 ILE 67 -5.339 0.148 -2.316 352 H PHE 68 H PHE 68 -1.835 0.281 2.784 353 HA PHE 68 HA PHE 68 -0.192 -1.882 3.489 354 1HB PHE 68 1HB PHE 68 0.372 0.624 3.120 355 2HB PHE 68 2HB PHE 68 0.011 0.825 4.827 356 HD1 PHE 68 HD1 PHE 68 1.501 -0.334 6.540 357 HD2 PHE 68 HD2 PHE 68 2.315 -0.602 2.321 358 HE1 PHE 68 HE1 PHE 68 3.814 -1.055 7.032 359 HE2 PHE 68 HE2 PHE 68 4.603 -1.366 2.819 360 HZ PHE 68 HZ PHE 68 5.381 -1.568 5.180 361 H THR 69 H THR 69 -2.695 -0.190 5.514 362 HA THR 69 HA THR 69 -1.805 -1.500 7.972 363 HB THR 69 HB THR 69 -4.442 -0.221 7.122 364 HG1 THR 69 HG1 THR 69 -2.800 1.219 6.991 365 1HG2 THR 69 1HG2 THR 69 -3.374 -0.848 9.902 366 2HG2 THR 69 2HG2 THR 69 -4.808 0.163 9.564 367 3HG2 THR 69 3HG2 THR 69 -4.802 -1.550 9.123 368 H GLU 70 H GLU 70 -4.041 -2.443 5.284 369 HA GLU 70 HA GLU 70 -5.129 -4.565 6.919 370 1HB GLU 70 1HB GLU 70 -5.943 -3.029 4.733 371 2HB GLU 70 2HB GLU 70 -5.480 -4.523 3.966 372 1HG GLU 70 1HG GLU 70 -7.470 -4.001 6.207 373 2HG GLU 70 2HG GLU 70 -7.867 -4.557 4.592 374 H MET 71 H MET 71 -2.739 -4.151 4.300 375 HA MET 71 HA MET 71 -1.888 -6.827 3.936 376 1HB MET 71 1HB MET 71 -0.387 -4.174 3.824 377 2HB MET 71 2HB MET 71 0.352 -5.723 3.438 378 1HG MET 71 1HG MET 71 -1.327 -6.078 1.652 379 2HG MET 71 2HG MET 71 -1.965 -4.466 1.940 380 1HE MET 71 1HE MET 71 -0.554 -5.999 -0.689 381 2HE MET 71 2HE MET 71 -1.336 -4.411 -0.917 382 3HE MET 71 3HE MET 71 0.332 -4.664 -1.453 383 H ALA 72 H ALA 72 -0.714 -4.305 6.262 384 HA ALA 72 HA ALA 72 1.133 -5.908 7.619 385 1HB ALA 72 1HB ALA 72 0.874 -3.431 7.950 386 2HB ALA 72 2HB ALA 72 -0.645 -3.721 8.818 387 3HB ALA 72 3HB ALA 72 0.885 -4.322 9.474 388 H ARG 73 H ARG 73 -2.339 -5.386 8.388 389 HA ARG 73 HA ARG 73 -2.387 -7.243 10.559 390 1HB ARG 73 1HB ARG 73 -4.529 -6.175 8.656 391 2HB ARG 73 2HB ARG 73 -4.928 -7.465 9.783 392 1HG ARG 73 1HG ARG 73 -4.086 -6.083 11.671 393 2HG ARG 73 2HG ARG 73 -3.841 -4.727 10.548 394 1HD ARG 73 1HD ARG 73 -6.209 -4.596 10.073 395 2HD ARG 73 2HD ARG 73 -6.511 -6.161 10.841 396 HE ARG 73 HE ARG 73 -6.323 -5.278 12.948 397 1HH1 ARG 73 1HH1 ARG 73 -6.098 -2.617 10.597 398 2HH1 ARG 73 2HH1 ARG 73 -5.545 -1.457 11.768 399 1HH2 ARG 73 1HH2 ARG 73 -5.758 -3.731 14.505 400 2HH2 ARG 73 2HH2 ARG 73 -5.565 -2.065 14.070 401 H LEU 74 H LEU 74 -2.939 -7.929 7.064 402 HA LEU 74 HA LEU 74 -3.608 -10.664 7.500 403 1HB LEU 74 1HB LEU 74 -2.488 -8.943 5.219 404 2HB LEU 74 2HB LEU 74 -2.609 -10.658 4.992 405 HG LEU 74 HG LEU 74 -5.023 -8.985 5.746 406 1HD1 LEU 74 1HD1 LEU 74 -3.992 -9.686 2.949 407 2HD1 LEU 74 2HD1 LEU 74 -5.559 -8.926 3.331 408 3HD1 LEU 74 3HD1 LEU 74 -4.069 -8.059 3.677 409 1HD2 LEU 74 1HD2 LEU 74 -4.719 -11.678 4.329 410 2HD2 LEU 74 2HD2 LEU 74 -5.252 -11.442 6.014 411 3HD2 LEU 74 3HD2 LEU 74 -6.250 -10.869 4.674 412 H GLN 75 H GLN 75 -0.489 -9.120 6.625 413 HA GLN 75 HA GLN 75 0.946 -11.531 6.555 414 1HB GLN 75 1HB GLN 75 1.650 -9.139 5.838 415 2HB GLN 75 2HB GLN 75 1.975 -8.790 7.518 416 1HG GLN 75 1HG GLN 75 4.039 -9.430 6.312 417 2HG GLN 75 2HG GLN 75 3.682 -10.537 7.634 418 1HE2 GLN 75 2HE2 GLN 75 3.505 -10.174 4.046 419 2HE2 GLN 75 1HE2 GLN 75 3.420 -11.922 3.781 420 H GLU 76 H GLU 76 0.298 -9.271 9.209 421 HA GLU 76 HA GLU 76 1.788 -10.643 11.153 422 1HB GLU 76 1HB GLU 76 0.767 -8.300 11.302 423 2HB GLU 76 2HB GLU 76 -0.770 -9.081 11.706 424 1HG GLU 76 1HG GLU 76 0.327 -8.394 13.735 425 2HG GLU 76 2HG GLU 76 0.407 -10.160 13.668 426 H SER 77 H SER 77 -1.541 -11.271 10.004 427 HA SER 77 HA SER 77 -1.791 -13.513 11.909 428 1HB SER 77 1HB SER 77 -3.641 -12.189 10.076 429 2HB SER 77 2HB SER 77 -4.033 -13.756 10.817 430 HG SER 77 HG SER 77 -4.752 -12.062 12.144 431 H GLY 78 H GLY 78 0.012 -13.207 9.185 432 1HA GLY 78 1HA GLY 78 1.173 -14.831 8.114 433 2HA GLY 78 2HA GLY 78 0.309 -16.071 9.039 434 H SER 79 H SER 79 -1.047 -13.515 6.977 435 HA SER 79 HA SER 79 -2.158 -15.559 5.110 436 1HB SER 79 1HB SER 79 -3.238 -12.818 5.862 437 2HB SER 79 2HB SER 79 -4.005 -13.976 4.762 438 HG SER 79 HG SER 79 -4.692 -15.124 6.420 439 HA PRO 80 HA PRO 80 0.511 -13.339 2.342 440 1HB PRO 80 1HB PRO 80 -0.655 -13.780 -0.126 441 2HB PRO 80 2HB PRO 80 0.306 -14.985 0.754 442 1HG PRO 80 1HG PRO 80 -2.705 -14.670 0.655 443 2HG PRO 80 2HG PRO 80 -1.763 -16.171 0.512 444 1HD PRO 80 1HD PRO 80 -2.955 -15.418 2.852 445 2HD PRO 80 2HD PRO 80 -1.376 -16.262 2.832 446 H ILE 81 H ILE 81 0.604 -11.402 1.330 447 HA ILE 81 HA ILE 81 -1.818 -9.703 1.318 448 HB ILE 81 HB ILE 81 -0.254 -7.841 1.174 449 1HG1 ILE 81 1HG1 ILE 81 1.941 -9.924 1.378 450 2HG1 ILE 81 2HG1 ILE 81 1.596 -8.937 -0.054 451 1HG2 ILE 81 1HG2 ILE 81 -1.028 -8.859 3.354 452 2HG2 ILE 81 2HG2 ILE 81 0.476 -9.786 3.430 453 3HG2 ILE 81 3HG2 ILE 81 0.522 -8.024 3.493 454 1HD1 ILE 81 1HD1 ILE 81 2.053 -6.901 1.412 455 2HD1 ILE 81 2HD1 ILE 81 2.656 -8.031 2.644 456 3HD1 ILE 81 3HD1 ILE 81 3.453 -7.951 1.064 457 H ASP 82 H ASP 82 -1.282 -11.886 -0.627 458 HA ASP 82 HA ASP 82 -0.828 -10.686 -3.209 459 1HB ASP 82 1HB ASP 82 -1.011 -13.243 -2.449 460 2HB ASP 82 2HB ASP 82 -2.699 -13.035 -2.915 461 H LEU 83 H LEU 83 -2.395 -10.286 -4.788 462 HA LEU 83 HA LEU 83 -4.043 -8.168 -4.098 463 1HB LEU 83 1HB LEU 83 -3.109 -8.183 -6.181 464 2HB LEU 83 2HB LEU 83 -3.555 -9.814 -6.556 465 HG LEU 83 HG LEU 83 -4.636 -7.761 -7.800 466 1HD1 LEU 83 1HD1 LEU 83 -4.993 -10.060 -8.303 467 2HD1 LEU 83 2HD1 LEU 83 -6.272 -10.112 -7.073 468 3HD1 LEU 83 3HD1 LEU 83 -6.417 -9.054 -8.503 469 1HD2 LEU 83 1HD2 LEU 83 -5.504 -6.782 -5.605 470 2HD2 LEU 83 2HD2 LEU 83 -6.525 -6.760 -7.058 471 3HD2 LEU 83 3HD2 LEU 83 -6.828 -7.949 -5.789 472 H ILE 84 H ILE 84 -5.400 -11.503 -5.153 473 HA ILE 84 HA ILE 84 -7.952 -10.724 -4.654 474 HB ILE 84 HB ILE 84 -6.782 -13.518 -4.348 475 1HG1 ILE 84 1HG1 ILE 84 -7.001 -13.795 -6.735 476 2HG1 ILE 84 2HG1 ILE 84 -7.233 -12.101 -7.026 477 1HG2 ILE 84 1HG2 ILE 84 -9.236 -13.179 -4.031 478 2HG2 ILE 84 2HG2 ILE 84 -9.335 -12.434 -5.639 479 3HG2 ILE 84 3HG2 ILE 84 -8.901 -14.146 -5.474 480 1HD1 ILE 84 1HD1 ILE 84 -4.719 -13.457 -5.913 481 2HD1 ILE 84 2HD1 ILE 84 -5.039 -13.213 -7.646 482 3HD1 ILE 84 3HD1 ILE 84 -4.803 -11.823 -6.615 483 H THR 85 H THR 85 -5.513 -12.082 -2.429 484 HA THR 85 HA THR 85 -7.228 -12.752 -0.342 485 HB THR 85 HB THR 85 -4.418 -11.753 0.159 486 HG1 THR 85 HG1 THR 85 -3.814 -12.998 -1.327 487 1HG2 THR 85 1HG2 THR 85 -6.054 -14.087 1.276 488 2HG2 THR 85 2HG2 THR 85 -4.418 -13.635 1.782 489 3HG2 THR 85 3HG2 THR 85 -5.761 -12.533 2.081 490 H LEU 86 H LEU 86 -5.295 -9.905 -0.950 491 HA LEU 86 HA LEU 86 -5.975 -8.279 1.255 492 1HB LEU 86 1HB LEU 86 -4.104 -7.858 -0.345 493 2HB LEU 86 2HB LEU 86 -5.234 -7.619 -1.640 494 HG LEU 86 HG LEU 86 -6.180 -5.602 -0.466 495 1HD1 LEU 86 1HD1 LEU 86 -3.785 -6.013 1.377 496 2HD1 LEU 86 2HD1 LEU 86 -4.775 -4.538 1.297 497 3HD1 LEU 86 3HD1 LEU 86 -5.493 -6.055 1.848 498 1HD2 LEU 86 1HD2 LEU 86 -4.544 -5.527 -2.306 499 2HD2 LEU 86 2HD2 LEU 86 -4.418 -4.160 -1.209 500 3HD2 LEU 86 3HD2 LEU 86 -3.230 -5.498 -1.121 501 H ALA 87 H ALA 87 -7.304 -8.330 -2.004 502 HA ALA 87 HA ALA 87 -9.158 -6.236 -1.666 503 1HB ALA 87 1HB ALA 87 -8.571 -7.245 -3.868 504 2HB ALA 87 2HB ALA 87 -9.489 -8.699 -3.430 505 3HB ALA 87 3HB ALA 87 -10.326 -7.139 -3.609 506 H GLU 88 H GLU 88 -9.735 -9.757 -1.337 507 HA GLU 88 HA GLU 88 -12.440 -9.443 -0.400 508 1HB GLU 88 1HB GLU 88 -10.492 -11.768 -0.213 509 2HB GLU 88 2HB GLU 88 -12.204 -11.842 0.244 510 1HG GLU 88 1HG GLU 88 -12.866 -11.262 -2.064 511 2HG GLU 88 2HG GLU 88 -11.179 -11.165 -2.558 512 H SER 89 H SER 89 -9.313 -9.321 1.299 513 HA SER 89 HA SER 89 -10.455 -9.643 3.911 514 1HB SER 89 1HB SER 89 -8.090 -10.122 3.238 515 2HB SER 89 2HB SER 89 -7.825 -8.376 3.074 516 HG SER 89 HG SER 89 -7.527 -8.290 5.071 517 H LEU 90 H LEU 90 -9.485 -6.843 1.920 518 HA LEU 90 HA LEU 90 -10.382 -4.789 3.692 519 1HB LEU 90 1HB LEU 90 -9.911 -4.991 0.717 520 2HB LEU 90 2HB LEU 90 -10.752 -3.597 1.357 521 HG LEU 90 HG LEU 90 -8.033 -4.432 2.402 522 1HD1 LEU 90 1HD1 LEU 90 -8.689 -2.483 0.170 523 2HD1 LEU 90 2HD1 LEU 90 -7.078 -2.727 0.898 524 3HD1 LEU 90 3HD1 LEU 90 -7.857 -4.043 0.007 525 1HD2 LEU 90 1HD2 LEU 90 -9.314 -2.793 3.854 526 2HD2 LEU 90 2HD2 LEU 90 -7.886 -2.050 3.139 527 3HD2 LEU 90 3HD2 LEU 90 -9.486 -1.715 2.459 528 H GLU 91 H GLU 91 -12.165 -6.821 1.333 529 HA GLU 91 HA GLU 91 -14.662 -5.438 1.736 530 1HB GLU 91 1HB GLU 91 -14.102 -8.342 0.962 531 2HB GLU 91 2HB GLU 91 -15.717 -7.675 1.111 532 1HG GLU 91 1HG GLU 91 -15.146 -5.940 -0.590 533 2HG GLU 91 2HG GLU 91 -13.576 -6.732 -0.801 534 H ARG 92 H ARG 92 -13.186 -8.163 3.634 535 HA ARG 92 HA ARG 92 -15.420 -8.287 5.436 536 1HB ARG 92 1HB ARG 92 -12.488 -9.038 5.810 537 2HB ARG 92 2HB ARG 92 -13.727 -9.249 7.051 538 1HG ARG 92 1HG ARG 92 -15.079 -10.606 5.464 539 2HG ARG 92 2HG ARG 92 -13.789 -10.513 4.271 540 1HD ARG 92 1HD ARG 92 -13.311 -11.582 7.085 541 2HD ARG 92 2HD ARG 92 -13.908 -12.623 5.806 542 HE ARG 92 HE ARG 92 -11.225 -11.597 6.155 543 1HH1 ARG 92 1HH1 ARG 92 -13.458 -13.095 3.798 544 2HH1 ARG 92 2HH1 ARG 92 -12.187 -13.522 2.696 545 1HH2 ARG 92 1HH2 ARG 92 -9.612 -12.162 4.734 546 2HH2 ARG 92 2HH2 ARG 92 -9.922 -12.921 3.199 547 H GLN 93 H GLN 93 -12.582 -6.150 5.293 548 HA GLN 93 HA GLN 93 -13.282 -4.737 7.739 549 1HB GLN 93 1HB GLN 93 -11.684 -3.777 5.332 550 2HB GLN 93 2HB GLN 93 -11.764 -2.960 6.876 551 1HG GLN 93 1HG GLN 93 -10.669 -5.789 6.613 552 2HG GLN 93 2HG GLN 93 -9.707 -4.344 6.346 553 1HE2 GLN 93 2HE2 GLN 93 -8.436 -5.362 8.129 554 2HE2 GLN 93 1HE2 GLN 93 -8.942 -5.166 9.785 555 H GLY 94 H GLY 94 -14.734 -4.722 4.519 556 1HA GLY 94 1HA GLY 94 -16.475 -3.488 3.698 557 2HA GLY 94 2HA GLY 94 -16.614 -2.648 5.249 558 H GLN 95 H GLN 95 -13.538 -2.770 3.571 559 HA GLN 95 HA GLN 95 -13.647 0.186 3.131 560 1HB GLN 95 1HB GLN 95 -11.421 -1.544 4.250 561 2HB GLN 95 2HB GLN 95 -11.220 0.143 3.751 562 1HG GLN 95 1HG GLN 95 -13.056 0.797 5.313 563 2HG GLN 95 2HG GLN 95 -13.085 -0.852 5.930 564 1HE2 GLN 95 2HE2 GLN 95 -12.314 1.876 7.073 565 2HE2 GLN 95 1HE2 GLN 95 -10.719 1.643 7.803 566 H LEU 96 H LEU 96 -13.451 -2.687 1.391 567 HA LEU 96 HA LEU 96 -11.289 -2.312 -0.355 568 1HB LEU 96 1HB LEU 96 -12.576 -4.350 -0.371 569 2HB LEU 96 2HB LEU 96 -13.998 -3.492 -0.993 570 HG LEU 96 HG LEU 96 -12.832 -2.962 -3.075 571 1HD1 LEU 96 1HD1 LEU 96 -10.433 -4.384 -1.853 572 2HD1 LEU 96 2HD1 LEU 96 -10.600 -4.020 -3.586 573 3HD1 LEU 96 3HD1 LEU 96 -10.495 -2.705 -2.430 574 1HD2 LEU 96 1HD2 LEU 96 -13.974 -5.141 -2.844 575 2HD2 LEU 96 2HD2 LEU 96 -12.658 -5.142 -4.029 576 3HD2 LEU 96 3HD2 LEU 96 -12.397 -5.880 -2.439 577 H ASP 97 H ASP 97 -14.667 -1.000 -0.805 578 HA ASP 97 HA ASP 97 -13.841 0.317 -3.205 579 1HB ASP 97 1HB ASP 97 -16.226 -0.291 -2.352 580 2HB ASP 97 2HB ASP 97 -16.169 1.301 -1.589 581 H SER 98 H SER 98 -13.670 1.277 0.190 582 HA SER 98 HA SER 98 -13.039 4.034 -0.260 583 1HB SER 98 1HB SER 98 -13.860 3.071 1.921 584 2HB SER 98 2HB SER 98 -12.267 2.319 2.132 585 HG SER 98 HG SER 98 -11.460 4.512 1.744 586 H VAL 99 H VAL 99 -11.109 1.218 -1.032 587 HA VAL 99 HA VAL 99 -8.725 2.993 -0.999 588 HB VAL 99 HB VAL 99 -7.295 1.256 -1.161 589 1HG1 VAL 99 1HG1 VAL 99 -8.452 1.598 1.054 590 2HG1 VAL 99 2HG1 VAL 99 -9.409 0.154 0.715 591 3HG1 VAL 99 3HG1 VAL 99 -7.654 0.017 0.848 592 1HG2 VAL 99 1HG2 VAL 99 -8.468 -0.216 -2.833 593 2HG2 VAL 99 2HG2 VAL 99 -7.710 -1.064 -1.483 594 3HG2 VAL 99 3HG2 VAL 99 -9.454 -0.838 -1.489 595 H GLY 100 H GLY 100 -11.267 2.424 -2.991 596 1HA GLY 100 1HA GLY 100 -11.284 3.414 -5.170 597 2HA GLY 100 2HA GLY 100 -9.663 2.782 -5.486 598 H GLY 101 H GLY 101 -11.319 0.351 -3.796 599 1HA GLY 101 1HA GLY 101 -12.710 -1.355 -4.420 600 2HA GLY 101 2HA GLY 101 -12.919 -0.632 -6.017 601 H PHE 102 H PHE 102 -12.699 -3.169 -6.236 602 HA PHE 102 HA PHE 102 -10.129 -4.382 -6.102 603 1HB PHE 102 1HB PHE 102 -12.433 -5.512 -6.403 604 2HB PHE 102 2HB PHE 102 -12.261 -5.169 -8.120 605 HD1 PHE 102 HD1 PHE 102 -9.969 -5.995 -9.234 606 HD2 PHE 102 HD2 PHE 102 -11.531 -7.498 -5.514 607 HE1 PHE 102 HE1 PHE 102 -8.310 -7.820 -9.270 608 HE2 PHE 102 HE2 PHE 102 -9.939 -9.392 -5.617 609 HZ PHE 102 HZ PHE 102 -8.240 -9.491 -7.433 610 H ALA 103 H ALA 103 -11.764 -2.551 -8.744 611 HA ALA 103 HA ALA 103 -9.912 -3.100 -10.766 612 1HB ALA 103 1HB ALA 103 -12.062 -1.912 -11.140 613 2HB ALA 103 2HB ALA 103 -11.442 -0.493 -10.262 614 3HB ALA 103 3HB ALA 103 -10.704 -0.982 -11.800 615 H TYR 104 H TYR 104 -9.674 -0.587 -8.210 616 HA TYR 104 HA TYR 104 -7.245 0.533 -9.257 617 1HB TYR 104 1HB TYR 104 -8.839 1.611 -7.606 618 2HB TYR 104 2HB TYR 104 -8.278 0.488 -6.377 619 HD1 TYR 104 HD1 TYR 104 -7.234 3.243 -8.667 620 HD2 TYR 104 HD2 TYR 104 -6.275 0.996 -5.113 621 HE1 TYR 104 HE1 TYR 104 -5.548 4.938 -8.069 622 HE2 TYR 104 HE2 TYR 104 -4.565 2.697 -4.510 623 HH TYR 104 HH TYR 104 -4.039 5.676 -6.434 624 H LEU 105 H LEU 105 -7.886 -1.987 -6.751 625 HA LEU 105 HA LEU 105 -5.125 -2.478 -6.186 626 1HB LEU 105 1HB LEU 105 -7.455 -4.436 -6.062 627 2HB LEU 105 2HB LEU 105 -5.849 -4.671 -5.372 628 HG LEU 105 HG LEU 105 -7.848 -2.575 -4.462 629 1HD1 LEU 105 1HD1 LEU 105 -8.421 -4.890 -3.849 630 2HD1 LEU 105 2HD1 LEU 105 -6.810 -5.132 -3.153 631 3HD1 LEU 105 3HD1 LEU 105 -7.932 -3.959 -2.425 632 1HD2 LEU 105 1HD2 LEU 105 -5.005 -3.213 -3.562 633 2HD2 LEU 105 2HD2 LEU 105 -5.671 -1.650 -4.109 634 3HD2 LEU 105 3HD2 LEU 105 -6.173 -2.332 -2.563 635 H ALA 106 H ALA 106 -7.249 -3.779 -8.758 636 HA ALA 106 HA ALA 106 -5.446 -5.789 -9.653 637 1HB ALA 106 1HB ALA 106 -7.852 -5.706 -10.253 638 2HB ALA 106 2HB ALA 106 -7.555 -4.238 -11.220 639 3HB ALA 106 3HB ALA 106 -6.823 -5.784 -11.695 640 H GLU 107 H GLU 107 -5.773 -2.325 -10.384 641 HA GLU 107 HA GLU 107 -3.754 -2.368 -12.486 642 1HB GLU 107 1HB GLU 107 -5.594 -0.721 -12.418 643 2HB GLU 107 2HB GLU 107 -5.005 -0.072 -10.884 644 1HG GLU 107 1HG GLU 107 -3.035 0.834 -11.918 645 2HG GLU 107 2HG GLU 107 -3.300 -0.097 -13.399 646 H LEU 108 H LEU 108 -3.780 -1.465 -9.012 647 HA LEU 108 HA LEU 108 -1.087 -0.719 -8.728 648 1HB LEU 108 1HB LEU 108 -2.770 -2.363 -6.802 649 2HB LEU 108 2HB LEU 108 -1.195 -1.682 -6.419 650 HG LEU 108 HG LEU 108 -3.766 -0.145 -6.916 651 1HD1 LEU 108 1HD1 LEU 108 -3.484 -1.283 -4.720 652 2HD1 LEU 108 2HD1 LEU 108 -1.964 -0.403 -4.477 653 3HD1 LEU 108 3HD1 LEU 108 -3.501 0.482 -4.582 654 1HD2 LEU 108 1HD2 LEU 108 -0.971 0.885 -6.393 655 2HD2 LEU 108 2HD2 LEU 108 -1.949 1.172 -7.857 656 3HD2 LEU 108 3HD2 LEU 108 -2.464 1.852 -6.301 657 H SER 109 H SER 109 -2.468 -3.990 -8.491 658 HA SER 109 HA SER 109 -0.082 -5.265 -7.691 659 1HB SER 109 1HB SER 109 -2.393 -6.143 -7.365 660 2HB SER 109 2HB SER 109 -2.500 -6.461 -9.103 661 HG SER 109 HG SER 109 -0.314 -7.611 -8.497 662 H LYS 110 H LYS 110 -0.903 -4.087 -10.836 663 HA LYS 110 HA LYS 110 1.432 -5.652 -11.879 664 1HB LYS 110 1HB LYS 110 -1.161 -5.238 -13.406 665 2HB LYS 110 2HB LYS 110 0.356 -5.840 -14.080 666 1HG LYS 110 1HG LYS 110 -0.562 -7.857 -13.667 667 2HG LYS 110 2HG LYS 110 0.229 -7.621 -12.125 668 1HD LYS 110 1HD LYS 110 -1.882 -8.271 -11.402 669 2HD LYS 110 2HD LYS 110 -2.136 -6.522 -11.462 670 1HE LYS 110 1HE LYS 110 -2.746 -7.089 -14.017 671 2HE LYS 110 2HE LYS 110 -3.063 -8.688 -13.341 672 1HZ LYS 110 1HZ LYS 110 -4.318 -6.168 -12.486 673 2HZ LYS 110 2HZ LYS 110 -5.012 -7.370 -13.406 674 3HZ LYS 110 3HZ LYS 110 -4.677 -7.669 -11.853 675 H ASN 111 H ASN 111 0.723 -2.639 -10.954 676 HA ASN 111 HA ASN 111 1.768 -1.360 -13.362 677 1HB ASN 111 1HB ASN 111 1.513 0.746 -12.246 678 2HB ASN 111 2HB ASN 111 0.092 -0.190 -11.805 679 1HD2 ASN 111 2HD2 ASN 111 -0.034 1.436 -10.015 680 2HD2 ASN 111 1HD2 ASN 111 0.900 1.081 -8.552 681 H THR 112 H THR 112 3.137 -3.154 -11.449 682 HA THR 112 HA THR 112 5.579 -1.547 -10.812 683 HB THR 112 HB THR 112 4.640 -4.117 -9.482 684 HG1 THR 112 HG1 THR 112 3.495 -1.855 -9.242 685 1HG2 THR 112 1HG2 THR 112 6.739 -2.072 -8.634 686 2HG2 THR 112 2HG2 THR 112 6.244 -3.482 -7.706 687 3HG2 THR 112 3HG2 THR 112 7.088 -3.719 -9.234 688 HA PRO 113 HA PRO 113 7.639 -4.399 -13.673 689 1HB PRO 113 1HB PRO 113 10.218 -3.613 -13.300 690 2HB PRO 113 2HB PRO 113 9.012 -2.586 -14.141 691 1HG PRO 113 1HG PRO 113 9.893 -2.424 -11.243 692 2HG PRO 113 2HG PRO 113 9.770 -1.095 -12.443 693 1HD PRO 113 1HD PRO 113 7.810 -1.673 -10.633 694 2HD PRO 113 2HD PRO 113 7.439 -1.057 -12.261 695 H SER 114 H SER 114 6.808 -6.065 -12.181 696 HA SER 114 HA SER 114 6.876 -7.755 -10.701 697 1HB SER 114 1HB SER 114 9.769 -7.993 -11.582 698 2HB SER 114 2HB SER 114 8.735 -9.269 -10.907 699 HG SER 114 HG SER 114 8.573 -7.928 -13.407 700 H ALA 115 H ALA 115 10.260 -7.240 -9.897 701 HA ALA 115 HA ALA 115 9.581 -5.868 -7.373 702 1HB ALA 115 1HB ALA 115 9.540 -8.354 -6.962 703 2HB ALA 115 2HB ALA 115 11.220 -8.438 -7.518 704 3HB ALA 115 3HB ALA 115 10.785 -7.495 -6.060 705 H ALA 116 H ALA 116 10.903 -5.129 -9.954 706 HA ALA 116 HA ALA 116 13.541 -5.323 -10.184 707 1HB ALA 116 1HB ALA 116 12.086 -4.143 -11.780 708 2HB ALA 116 2HB ALA 116 12.018 -2.737 -10.682 709 3HB ALA 116 3HB ALA 116 13.546 -3.213 -11.428 710 H ASN 117 H ASN 117 12.189 -2.516 -8.363 711 HA ASN 117 HA ASN 117 14.521 -2.579 -6.546 712 1HB ASN 117 1HB ASN 117 13.744 -0.016 -7.989 713 2HB ASN 117 2HB ASN 117 15.019 -0.236 -6.798 714 1HD2 ASN 117 2HD2 ASN 117 16.630 -2.247 -7.613 715 2HD2 ASN 117 1HD2 ASN 117 17.260 -1.884 -9.207 716 H ILE 118 H ILE 118 12.054 -3.467 -5.765 717 HA ILE 118 HA ILE 118 10.144 -1.491 -5.068 718 HB ILE 118 HB ILE 118 9.891 -3.983 -5.132 719 1HG1 ILE 118 1HG1 ILE 118 8.775 -2.354 -2.806 720 2HG1 ILE 118 2HG1 ILE 118 8.077 -2.549 -4.413 721 1HG2 ILE 118 1HG2 ILE 118 11.792 -4.595 -3.639 722 2HG2 ILE 118 2HG2 ILE 118 10.771 -4.101 -2.268 723 3HG2 ILE 118 3HG2 ILE 118 10.259 -5.410 -3.339 724 1HD1 ILE 118 1HD1 ILE 118 7.724 -5.000 -3.857 725 2HD1 ILE 118 2HD1 ILE 118 8.233 -4.630 -2.198 726 3HD1 ILE 118 3HD1 ILE 118 6.795 -3.857 -2.868 727 H SER 119 H SER 119 12.629 -2.886 -3.112 728 HA SER 119 HA SER 119 12.445 -1.434 -0.781 729 1HB SER 119 1HB SER 119 14.233 -3.178 -1.511 730 2HB SER 119 2HB SER 119 15.173 -1.781 -2.073 731 HG SER 119 HG SER 119 14.400 -2.639 0.451 732 H ALA 120 H ALA 120 13.801 -0.282 -3.791 733 HA ALA 120 HA ALA 120 14.687 2.297 -2.712 734 1HB ALA 120 1HB ALA 120 15.810 1.115 -4.651 735 2HB ALA 120 2HB ALA 120 14.373 1.511 -5.628 736 3HB ALA 120 3HB ALA 120 15.361 2.809 -4.957 737 H TYR 121 H TYR 121 11.660 1.053 -4.299 738 HA TYR 121 HA TYR 121 10.578 3.718 -4.681 739 1HB TYR 121 1HB TYR 121 9.232 1.011 -4.319 740 2HB TYR 121 2HB TYR 121 8.433 2.509 -4.697 741 HD1 TYR 121 HD1 TYR 121 10.246 3.629 -6.893 742 HD2 TYR 121 HD2 TYR 121 8.567 -0.286 -6.151 743 HE1 TYR 121 HE1 TYR 121 10.260 3.165 -9.311 744 HE2 TYR 121 HE2 TYR 121 8.597 -0.751 -8.571 745 HH TYR 121 HH TYR 121 9.845 1.537 -11.012 746 H ALA 122 H ALA 122 10.477 1.180 -2.117 747 HA ALA 122 HA ALA 122 8.872 2.657 -0.303 748 1HB ALA 122 1HB ALA 122 9.347 0.255 -0.067 749 2HB ALA 122 2HB ALA 122 11.037 0.616 0.349 750 3HB ALA 122 3HB ALA 122 9.724 1.151 1.414 751 H ASP 123 H ASP 123 12.414 2.795 -0.821 752 HA ASP 123 HA ASP 123 13.023 4.568 1.294 753 1HB ASP 123 1HB ASP 123 14.502 3.249 -0.435 754 2HB ASP 123 2HB ASP 123 14.410 4.709 -1.393 755 H ILE 124 H ILE 124 11.726 5.218 -1.930 756 HA ILE 124 HA ILE 124 11.815 8.124 -1.728 757 HB ILE 124 HB ILE 124 9.836 6.478 -3.345 758 1HG1 ILE 124 1HG1 ILE 124 12.348 7.881 -4.368 759 2HG1 ILE 124 2HG1 ILE 124 12.316 6.174 -3.973 760 1HG2 ILE 124 1HG2 ILE 124 9.158 8.843 -2.869 761 2HG2 ILE 124 2HG2 ILE 124 10.664 9.391 -3.626 762 3HG2 ILE 124 3HG2 ILE 124 9.428 8.539 -4.577 763 1HD1 ILE 124 1HD1 ILE 124 10.447 5.840 -5.624 764 2HD1 ILE 124 2HD1 ILE 124 10.656 7.534 -6.124 765 3HD1 ILE 124 3HD1 ILE 124 11.975 6.386 -6.339 766 H VAL 125 H VAL 125 9.237 5.692 -1.017 767 HA VAL 125 HA VAL 125 7.321 7.526 -0.048 768 HB VAL 125 HB VAL 125 7.750 4.648 0.877 769 1HG1 VAL 125 1HG1 VAL 125 5.307 6.471 1.024 770 2HG1 VAL 125 2HG1 VAL 125 5.313 4.731 1.399 771 3HG1 VAL 125 3HG1 VAL 125 6.239 5.844 2.394 772 1HG2 VAL 125 1HG2 VAL 125 6.210 5.789 -1.472 773 2HG2 VAL 125 2HG2 VAL 125 7.480 4.570 -1.499 774 3HG2 VAL 125 3HG2 VAL 125 5.919 4.162 -0.805 775 H ARG 126 H ARG 126 9.846 5.727 1.758 776 HA ARG 126 HA ARG 126 9.398 6.771 4.316 777 1HB ARG 126 1HB ARG 126 11.048 4.958 3.759 778 2HB ARG 126 2HB ARG 126 12.109 6.185 3.046 779 1HG ARG 126 1HG ARG 126 12.079 7.407 5.269 780 2HG ARG 126 2HG ARG 126 11.119 6.079 5.936 781 1HD ARG 126 1HD ARG 126 13.027 4.534 5.427 782 2HD ARG 126 2HD ARG 126 13.871 5.884 4.678 783 HE ARG 126 HE ARG 126 14.533 6.627 6.704 784 1HH1 ARG 126 1HH1 ARG 126 11.787 4.404 7.240 785 2HH1 ARG 126 2HH1 ARG 126 11.813 4.530 8.958 786 1HH2 ARG 126 1HH2 ARG 126 14.649 6.700 9.077 787 2HH2 ARG 126 2HH2 ARG 126 13.503 5.784 9.978 788 H GLU 127 H GLU 127 11.551 8.149 1.710 789 HA GLU 127 HA GLU 127 12.315 10.285 3.349 790 1HB GLU 127 1HB GLU 127 13.100 9.456 0.968 791 2HB GLU 127 2HB GLU 127 12.082 10.748 0.396 792 1HG GLU 127 1HG GLU 127 13.294 12.190 2.290 793 2HG GLU 127 2HG GLU 127 14.503 10.912 2.239 794 H ARG 128 H ARG 128 9.555 9.956 1.254 795 HA ARG 128 HA ARG 128 8.614 12.725 1.563 796 1HB ARG 128 1HB ARG 128 6.800 10.299 1.244 797 2HB ARG 128 2HB ARG 128 6.349 11.986 1.027 798 1HG ARG 128 1HG ARG 128 8.261 10.402 -0.701 799 2HG ARG 128 2HG ARG 128 6.625 10.894 -1.100 800 1HD ARG 128 1HD ARG 128 7.202 13.021 -1.630 801 2HD ARG 128 2HD ARG 128 8.441 13.157 -0.409 802 HE ARG 128 HE ARG 128 8.725 11.799 -3.044 803 1HH1 ARG 128 1HH1 ARG 128 10.335 12.888 -0.057 804 2HH1 ARG 128 2HH1 ARG 128 11.928 12.751 -0.721 805 1HH2 ARG 128 1HH2 ARG 128 10.843 11.733 -3.941 806 2HH2 ARG 128 2HH2 ARG 128 12.202 11.853 -2.874 807 H ALA 129 H ALA 129 8.090 9.843 3.636 808 HA ALA 129 HA ALA 129 6.519 11.326 5.545 809 1HB ALA 129 1HB ALA 129 6.432 8.868 5.316 810 2HB ALA 129 2HB ALA 129 8.093 8.762 5.951 811 3HB ALA 129 3HB ALA 129 6.794 9.411 6.967 812 H VAL 130 H VAL 130 10.019 10.687 5.183 813 HA VAL 130 HA VAL 130 10.890 11.904 7.574 814 HB VAL 130 HB VAL 130 12.228 11.706 4.868 815 1HG1 VAL 130 1HG1 VAL 130 13.400 12.689 7.472 816 2HG1 VAL 130 2HG1 VAL 130 14.361 12.191 6.050 817 3HG1 VAL 130 3HG1 VAL 130 13.280 13.579 5.942 818 1HG2 VAL 130 1HG2 VAL 130 11.810 9.545 6.136 819 2HG2 VAL 130 2HG2 VAL 130 13.520 9.889 5.845 820 3HG2 VAL 130 3HG2 VAL 130 12.794 10.176 7.444 821 H VAL 131 H VAL 131 10.314 13.377 4.350 822 HA VAL 131 HA VAL 131 10.714 16.084 5.258 823 HB VAL 131 HB VAL 131 9.227 14.895 2.883 824 1HG1 VAL 131 1HG1 VAL 131 9.864 17.832 3.400 825 2HG1 VAL 131 2HG1 VAL 131 9.338 17.156 1.837 826 3HG1 VAL 131 3HG1 VAL 131 8.250 17.107 3.226 827 1HG2 VAL 131 1HG2 VAL 131 11.722 14.596 2.924 828 2HG2 VAL 131 2HG2 VAL 131 11.194 15.645 1.609 829 3HG2 VAL 131 3HG2 VAL 131 11.907 16.345 3.078 830 H ARG 132 H ARG 132 7.943 13.883 5.484 831 HA ARG 132 HA ARG 132 6.085 15.916 6.214 832 1HB ARG 132 1HB ARG 132 5.566 13.482 5.442 833 2HB ARG 132 2HB ARG 132 5.919 13.009 7.103 834 1HG ARG 132 1HG ARG 132 3.589 13.197 6.966 835 2HG ARG 132 2HG ARG 132 4.133 14.611 7.873 836 1HD ARG 132 1HD ARG 132 4.162 15.404 5.146 837 2HD ARG 132 2HD ARG 132 2.711 14.425 5.308 838 HE ARG 132 HE ARG 132 3.305 17.040 6.433 839 1HH1 ARG 132 1HH1 ARG 132 1.105 14.239 6.672 840 2HH1 ARG 132 2HH1 ARG 132 -0.097 15.102 7.553 841 1HH2 ARG 132 1HH2 ARG 132 1.738 18.144 7.681 842 2HH2 ARG 132 2HH2 ARG 132 0.194 17.446 7.969 843 H GLU 133 H GLU 133 8.238 13.989 8.201 844 HA GLU 133 HA GLU 133 7.338 15.371 10.641 845 1HB GLU 133 1HB GLU 133 9.188 14.278 11.791 846 2HB GLU 133 2HB GLU 133 8.083 13.176 10.980 847 1HG GLU 133 1HG GLU 133 9.691 12.838 9.166 848 2HG GLU 133 2HG GLU 133 10.830 13.927 9.967 849 H MET 134 H MET 134 10.247 15.430 8.609 850 HA MET 134 HA MET 134 11.266 17.907 9.767 851 1HB MET 134 1HB MET 134 12.303 16.376 7.352 852 2HB MET 134 2HB MET 134 13.133 17.601 8.289 853 1HG MET 134 1HG MET 134 12.537 14.738 9.000 854 2HG MET 134 2HG MET 134 14.077 15.551 8.933 855 1HE MET 134 1HE MET 134 13.128 13.508 11.177 856 2HE MET 134 2HE MET 134 14.741 14.251 11.164 857 3HE MET 134 3HE MET 134 13.756 14.278 12.645 858 H ILE 135 H ILE 135 8.771 18.494 8.932 859 HA ILE 135 HA ILE 135 8.338 19.574 6.420 860 HB ILE 135 HB ILE 135 7.685 20.826 9.110 861 1HG1 ILE 135 1HG1 ILE 135 6.650 18.648 8.870 862 2HG1 ILE 135 2HG1 ILE 135 5.466 19.934 8.893 863 1HG2 ILE 135 1HG2 ILE 135 6.627 21.548 6.348 864 2HG2 ILE 135 2HG2 ILE 135 5.890 22.076 7.884 865 3HG2 ILE 135 3HG2 ILE 135 7.528 22.584 7.477 866 1HD1 ILE 135 1HD1 ILE 135 6.357 18.475 6.370 867 2HD1 ILE 135 2HD1 ILE 135 4.848 18.218 7.258 868 3HD1 ILE 135 3HD1 ILE 135 5.134 19.762 6.452 869 H SER 136 H SER 136 9.738 20.594 5.229 870 HA SER 136 HA SER 136 11.799 22.344 6.425 871 1HB SER 136 1HB SER 136 12.661 21.561 3.897 872 2HB SER 136 2HB SER 136 13.184 20.921 5.450 873 HG SER 136 HG SER 136 11.564 19.323 5.320 Start of MODEL 10 1 1H MET 23 1H MET 23 7.647 27.912 2.644 2 2H MET 23 2H MET 23 9.094 28.648 2.479 3 3H MET 23 3H MET 23 7.706 29.415 1.958 4 HA MET 23 HA MET 23 7.374 27.908 0.228 5 1HB MET 23 1HB MET 23 10.262 28.850 0.399 6 2HB MET 23 2HB MET 23 9.579 28.056 -1.025 7 1HG MET 23 1HG MET 23 7.892 29.803 -1.263 8 2HG MET 23 2HG MET 23 8.443 30.583 0.219 9 1HE MET 23 1HE MET 23 9.252 29.700 -3.489 10 2HE MET 23 2HE MET 23 10.769 30.575 -3.794 11 3HE MET 23 3HE MET 23 10.776 29.133 -2.764 12 H LYS 24 H LYS 24 6.778 25.837 0.901 13 HA LYS 24 HA LYS 24 8.870 23.954 0.295 14 1HB LYS 24 1HB LYS 24 8.441 24.295 2.996 15 2HB LYS 24 2HB LYS 24 7.162 23.154 2.640 16 1HG LYS 24 1HG LYS 24 10.162 22.827 2.399 17 2HG LYS 24 2HG LYS 24 9.012 21.901 3.369 18 1HD LYS 24 1HD LYS 24 8.079 20.899 1.312 19 2HD LYS 24 2HD LYS 24 9.317 21.758 0.355 20 1HE LYS 24 1HE LYS 24 11.098 20.620 1.590 21 2HE LYS 24 2HE LYS 24 9.892 19.740 2.545 22 1HZ LYS 24 1HZ LYS 24 9.076 18.804 0.450 23 2HZ LYS 24 2HZ LYS 24 10.268 19.545 -0.390 24 3HZ LYS 24 3HZ LYS 24 10.667 18.411 0.696 25 H VAL 25 H VAL 25 7.905 22.226 -0.856 26 HA VAL 25 HA VAL 25 5.013 21.808 -0.702 27 HB VAL 25 HB VAL 25 6.678 22.120 -3.229 28 1HG1 VAL 25 1HG1 VAL 25 3.828 21.082 -3.003 29 2HG1 VAL 25 2HG1 VAL 25 4.635 21.588 -4.497 30 3HG1 VAL 25 3HG1 VAL 25 5.248 20.198 -3.607 31 1HG2 VAL 25 1HG2 VAL 25 4.213 23.569 -2.157 32 2HG2 VAL 25 2HG2 VAL 25 5.841 24.248 -2.366 33 3HG2 VAL 25 3HG2 VAL 25 4.894 23.786 -3.774 34 HA PRO 26 HA PRO 26 6.912 17.747 -0.186 35 1HB PRO 26 1HB PRO 26 4.401 16.397 -0.857 36 2HB PRO 26 2HB PRO 26 5.230 16.476 0.715 37 1HG PRO 26 1HG PRO 26 2.828 17.794 0.181 38 2HG PRO 26 2HG PRO 26 4.028 18.333 1.395 39 1HD PRO 26 1HD PRO 26 3.624 19.313 -1.428 40 2HD PRO 26 2HD PRO 26 3.917 20.233 0.074 41 HA PRO 27 HA PRO 27 7.204 17.002 -4.697 42 1HB PRO 27 1HB PRO 27 9.151 15.061 -4.694 43 2HB PRO 27 2HB PRO 27 9.462 16.818 -4.509 44 1HG PRO 27 1HG PRO 27 9.242 14.727 -2.363 45 2HG PRO 27 2HG PRO 27 10.485 15.996 -2.530 46 1HD PRO 27 1HD PRO 27 8.348 16.233 -0.856 47 2HD PRO 27 2HD PRO 27 9.028 17.645 -1.725 48 H HIS 28 H HIS 28 6.097 14.964 -2.220 49 HA HIS 28 HA HIS 28 4.877 13.122 -2.016 50 1HB HIS 28 1HB HIS 28 3.864 13.940 -4.759 51 2HB HIS 28 2HB HIS 28 3.110 12.722 -3.741 52 HD1 HIS 28 HD1 HIS 28 3.188 16.486 -4.147 53 HD2 HIS 28 HD2 HIS 28 2.055 13.540 -1.339 54 HE1 HIS 28 HE1 HIS 28 1.803 17.666 -2.410 55 H SER 29 H SER 29 4.143 10.959 -3.146 56 HA SER 29 HA SER 29 6.351 9.676 -4.603 57 1HB SER 29 1HB SER 29 6.397 8.017 -2.546 58 2HB SER 29 2HB SER 29 7.329 9.500 -2.556 59 HG SER 29 HG SER 29 4.825 9.034 -1.263 60 H ILE 30 H ILE 30 3.274 10.112 -4.879 61 HA ILE 30 HA ILE 30 1.798 7.894 -4.109 62 HB ILE 30 HB ILE 30 1.530 9.494 -6.714 63 1HG1 ILE 30 1HG1 ILE 30 1.607 11.160 -5.038 64 2HG1 ILE 30 2HG1 ILE 30 -0.088 10.940 -5.441 65 1HG2 ILE 30 1HG2 ILE 30 0.040 7.520 -6.679 66 2HG2 ILE 30 2HG2 ILE 30 -0.722 8.139 -5.190 67 3HG2 ILE 30 3HG2 ILE 30 -0.827 9.049 -6.692 68 1HD1 ILE 30 1HD1 ILE 30 -0.253 9.377 -3.430 69 2HD1 ILE 30 2HD1 ILE 30 1.367 9.906 -2.972 70 3HD1 ILE 30 3HD1 ILE 30 0.038 11.083 -3.049 71 H GLU 31 H GLU 31 3.478 8.325 -7.237 72 HA GLU 31 HA GLU 31 2.770 5.715 -8.162 73 1HB GLU 31 1HB GLU 31 4.752 7.801 -9.090 74 2HB GLU 31 2HB GLU 31 4.403 6.294 -9.947 75 1HG GLU 31 1HG GLU 31 1.934 6.875 -9.913 76 2HG GLU 31 2HG GLU 31 2.271 8.340 -9.052 77 H ALA 32 H ALA 32 5.658 6.838 -6.489 78 HA ALA 32 HA ALA 32 7.105 4.358 -6.557 79 1HB ALA 32 1HB ALA 32 8.115 6.509 -5.792 80 2HB ALA 32 2HB ALA 32 7.073 6.488 -4.359 81 3HB ALA 32 3HB ALA 32 8.286 5.229 -4.571 82 H GLU 33 H GLU 33 4.766 5.690 -4.225 83 HA GLU 33 HA GLU 33 4.555 3.521 -2.432 84 1HB GLU 33 1HB GLU 33 2.602 5.688 -3.293 85 2HB GLU 33 2HB GLU 33 2.231 4.545 -2.030 86 1HG GLU 33 1HG GLU 33 3.909 5.427 -0.597 87 2HG GLU 33 2HG GLU 33 4.674 6.328 -1.904 88 H GLN 34 H GLN 34 2.712 4.233 -5.451 89 HA GLN 34 HA GLN 34 1.045 1.986 -5.389 90 1HB GLN 34 1HB GLN 34 2.241 3.389 -7.812 91 2HB GLN 34 2HB GLN 34 1.035 2.131 -7.913 92 1HG GLN 34 1HG GLN 34 0.271 4.380 -6.150 93 2HG GLN 34 2HG GLN 34 0.557 4.853 -7.812 94 1HE2 GLN 34 2HE2 GLN 34 -1.946 4.281 -5.910 95 2HE2 GLN 34 1HE2 GLN 34 -3.059 3.574 -7.098 96 H SER 35 H SER 35 4.263 2.399 -6.894 97 HA SER 35 HA SER 35 4.495 -0.171 -8.032 98 1HB SER 35 1HB SER 35 6.699 1.715 -7.077 99 2HB SER 35 2HB SER 35 6.880 0.402 -8.244 100 HG SER 35 HG SER 35 5.387 2.812 -8.496 101 H VAL 36 H VAL 36 5.431 1.008 -4.794 102 HA VAL 36 HA VAL 36 6.679 -1.462 -3.968 103 HB VAL 36 HB VAL 36 5.541 0.957 -2.482 104 1HG1 VAL 36 1HG1 VAL 36 7.069 -1.393 -1.298 105 2HG1 VAL 36 2HG1 VAL 36 6.758 0.149 -0.465 106 3HG1 VAL 36 3HG1 VAL 36 5.409 -0.905 -0.898 107 1HG2 VAL 36 1HG2 VAL 36 7.624 1.263 -3.852 108 2HG2 VAL 36 2HG2 VAL 36 7.850 1.566 -2.128 109 3HG2 VAL 36 3HG2 VAL 36 8.427 0.043 -2.853 110 H LEU 37 H LEU 37 3.423 -0.048 -3.362 111 HA LEU 37 HA LEU 37 2.580 -2.285 -1.805 112 1HB LEU 37 1HB LEU 37 1.002 -0.198 -3.347 113 2HB LEU 37 2HB LEU 37 0.262 -1.389 -2.277 114 HG LEU 37 HG LEU 37 2.282 0.745 -1.431 115 1HD1 LEU 37 1HD1 LEU 37 -0.708 0.467 -0.983 116 2HD1 LEU 37 2HD1 LEU 37 0.348 1.666 -0.212 117 3HD1 LEU 37 3HD1 LEU 37 0.122 1.694 -1.976 118 1HD2 LEU 37 1HD2 LEU 37 0.895 -1.382 0.223 119 2HD2 LEU 37 2HD2 LEU 37 2.639 -1.079 0.038 120 3HD2 LEU 37 3HD2 LEU 37 1.645 0.090 0.888 121 H GLY 38 H GLY 38 2.235 -1.657 -5.317 122 1HA GLY 38 1HA GLY 38 0.815 -4.046 -5.975 123 2HA GLY 38 2HA GLY 38 1.946 -3.153 -7.021 124 H GLY 39 H GLY 39 4.360 -3.311 -5.696 125 1HA GLY 39 1HA GLY 39 5.307 -5.825 -6.457 126 2HA GLY 39 2HA GLY 39 6.159 -4.627 -5.478 127 H LEU 40 H LEU 40 4.103 -4.771 -3.295 128 HA LEU 40 HA LEU 40 5.111 -7.016 -1.785 129 1HB LEU 40 1HB LEU 40 2.744 -5.140 -1.384 130 2HB LEU 40 2HB LEU 40 3.200 -6.361 -0.212 131 HG LEU 40 HG LEU 40 5.000 -4.063 -1.096 132 1HD1 LEU 40 1HD1 LEU 40 2.985 -3.358 0.184 133 2HD1 LEU 40 2HD1 LEU 40 3.448 -4.455 1.488 134 3HD1 LEU 40 3HD1 LEU 40 4.494 -3.084 1.066 135 1HD2 LEU 40 1HD2 LEU 40 5.303 -6.289 0.930 136 2HD2 LEU 40 2HD2 LEU 40 6.394 -5.862 -0.403 137 3HD2 LEU 40 3HD2 LEU 40 6.269 -4.790 0.991 138 H MET 41 H MET 41 2.053 -6.471 -3.573 139 HA MET 41 HA MET 41 0.877 -9.024 -2.816 140 1HB MET 41 1HB MET 41 0.382 -7.472 -5.402 141 2HB MET 41 2HB MET 41 -0.693 -8.638 -4.632 142 1HG MET 41 1HG MET 41 -1.116 -7.068 -2.792 143 2HG MET 41 2HG MET 41 0.073 -5.944 -3.467 144 1HE MET 41 1HE MET 41 -2.057 -4.247 -2.948 145 2HE MET 41 2HE MET 41 -0.920 -3.766 -4.228 146 3HE MET 41 3HE MET 41 -2.671 -3.605 -4.491 147 H LEU 42 H LEU 42 2.949 -7.843 -5.424 148 HA LEU 42 HA LEU 42 3.052 -10.316 -6.855 149 1HB LEU 42 1HB LEU 42 3.532 -7.784 -7.495 150 2HB LEU 42 2HB LEU 42 5.176 -8.174 -7.072 151 HG LEU 42 HG LEU 42 3.870 -10.175 -8.871 152 1HD1 LEU 42 1HD1 LEU 42 2.796 -8.021 -9.644 153 2HD1 LEU 42 2HD1 LEU 42 4.418 -7.402 -9.987 154 3HD1 LEU 42 3HD1 LEU 42 3.818 -8.808 -10.861 155 1HD2 LEU 42 1HD2 LEU 42 6.440 -8.536 -9.118 156 2HD2 LEU 42 2HD2 LEU 42 6.303 -10.165 -8.415 157 3HD2 LEU 42 3HD2 LEU 42 5.968 -9.915 -10.130 158 H ASP 43 H ASP 43 4.893 -9.128 -4.106 159 HA ASP 43 HA ASP 43 6.328 -11.673 -3.843 160 1HB ASP 43 1HB ASP 43 7.673 -10.324 -5.404 161 2HB ASP 43 2HB ASP 43 7.841 -9.071 -4.160 162 H ASN 44 H ASN 44 5.380 -11.915 -2.003 163 HA ASN 44 HA ASN 44 4.973 -10.051 0.119 164 1HB ASN 44 1HB ASN 44 4.702 -12.233 1.516 165 2HB ASN 44 2HB ASN 44 3.566 -11.930 0.222 166 1HD2 ASN 44 2HD2 ASN 44 3.603 -13.182 -1.658 167 2HD2 ASN 44 1HD2 ASN 44 4.695 -14.567 -1.853 168 H GLU 45 H GLU 45 7.983 -11.890 -0.652 169 HA GLU 45 HA GLU 45 8.952 -11.554 2.060 170 1HB GLU 45 1HB GLU 45 9.862 -12.713 -0.478 171 2HB GLU 45 2HB GLU 45 11.167 -11.869 0.360 172 1HG GLU 45 1HG GLU 45 9.308 -13.766 1.853 173 2HG GLU 45 2HG GLU 45 10.653 -14.340 0.895 174 H ARG 46 H ARG 46 8.532 -9.298 -0.582 175 HA ARG 46 HA ARG 46 10.547 -7.478 0.493 176 1HB ARG 46 1HB ARG 46 8.174 -7.034 -1.360 177 2HB ARG 46 2HB ARG 46 9.386 -5.813 -0.963 178 1HG ARG 46 1HG ARG 46 10.107 -8.518 -2.182 179 2HG ARG 46 2HG ARG 46 9.705 -7.118 -3.139 180 1HD ARG 46 1HD ARG 46 11.621 -5.910 -2.441 181 2HD ARG 46 2HD ARG 46 11.874 -6.910 -1.013 182 HE ARG 46 HE ARG 46 12.325 -8.808 -2.607 183 1HH1 ARG 46 1HH1 ARG 46 13.536 -5.527 -3.240 184 2HH1 ARG 46 2HH1 ARG 46 14.332 -6.035 -4.733 185 1HH2 ARG 46 1HH2 ARG 46 13.730 -9.452 -4.108 186 2HH2 ARG 46 2HH2 ARG 46 14.839 -8.337 -4.903 187 H TRP 47 H TRP 47 7.503 -8.596 1.689 188 HA TRP 47 HA TRP 47 6.382 -6.267 2.786 189 1HB TRP 47 1HB TRP 47 5.248 -8.427 2.968 190 2HB TRP 47 2HB TRP 47 6.540 -9.049 4.011 191 HD1 TRP 47 HD1 TRP 47 6.477 -8.459 6.532 192 HE1 TRP 47 HE1 TRP 47 5.108 -6.951 8.044 193 HE3 TRP 47 HE3 TRP 47 3.645 -6.174 2.957 194 HZ2 TRP 47 HZ2 TRP 47 3.172 -4.806 7.719 195 HZ3 TRP 47 HZ3 TRP 47 2.169 -4.268 3.568 196 HH2 TRP 47 HH2 TRP 47 1.937 -3.573 5.929 197 H ASP 48 H ASP 48 8.727 -8.400 4.430 198 HA ASP 48 HA ASP 48 9.091 -6.666 6.651 199 1HB ASP 48 1HB ASP 48 10.585 -8.979 5.353 200 2HB ASP 48 2HB ASP 48 11.319 -8.096 6.655 201 H ASP 49 H ASP 49 10.429 -6.468 3.598 202 HA ASP 49 HA ASP 49 12.917 -4.979 4.362 203 1HB ASP 49 1HB ASP 49 13.528 -6.006 2.424 204 2HB ASP 49 2HB ASP 49 11.878 -6.249 1.900 205 H VAL 50 H VAL 50 9.862 -4.433 2.602 206 HA VAL 50 HA VAL 50 10.012 -1.588 2.519 207 HB VAL 50 HB VAL 50 7.800 -3.664 2.373 208 1HG1 VAL 50 1HG1 VAL 50 7.619 -0.668 1.750 209 2HG1 VAL 50 2HG1 VAL 50 6.370 -1.867 1.355 210 3HG1 VAL 50 3HG1 VAL 50 6.754 -1.518 3.045 211 1HG2 VAL 50 1HG2 VAL 50 9.477 -3.663 0.500 212 2HG2 VAL 50 2HG2 VAL 50 7.864 -3.222 -0.051 213 3HG2 VAL 50 3HG2 VAL 50 9.107 -1.967 0.183 214 H ALA 51 H ALA 51 8.490 -3.880 4.897 215 HA ALA 51 HA ALA 51 7.474 -1.827 6.548 216 1HB ALA 51 1HB ALA 51 8.174 -4.718 7.195 217 2HB ALA 51 2HB ALA 51 7.198 -3.663 8.224 218 3HB ALA 51 3HB ALA 51 6.599 -4.125 6.618 219 H GLU 52 H GLU 52 10.831 -2.972 6.305 220 HA GLU 52 HA GLU 52 11.622 -1.933 8.825 221 1HB GLU 52 1HB GLU 52 12.915 -3.675 8.116 222 2HB GLU 52 2HB GLU 52 12.783 -3.286 6.406 223 1HG GLU 52 1HG GLU 52 14.545 -1.909 6.391 224 2HG GLU 52 2HG GLU 52 14.074 -1.218 7.918 225 H ARG 53 H ARG 53 10.928 -0.798 5.530 226 HA ARG 53 HA ARG 53 12.550 1.654 5.915 227 1HB ARG 53 1HB ARG 53 10.875 0.627 3.583 228 2HB ARG 53 2HB ARG 53 11.696 2.176 3.571 229 1HG ARG 53 1HG ARG 53 13.319 -0.335 4.129 230 2HG ARG 53 2HG ARG 53 12.788 0.013 2.488 231 1HD ARG 53 1HD ARG 53 15.049 0.867 2.886 232 2HD ARG 53 2HD ARG 53 13.902 2.149 2.474 233 HE ARG 53 HE ARG 53 14.384 1.661 5.344 234 1HH1 ARG 53 1HH1 ARG 53 15.470 3.560 2.526 235 2HH1 ARG 53 2HH1 ARG 53 15.944 4.920 3.509 236 1HH2 ARG 53 1HH2 ARG 53 15.020 3.447 6.572 237 2HH2 ARG 53 2HH2 ARG 53 15.821 4.803 5.822 238 H VAL 54 H VAL 54 9.122 0.634 5.689 239 HA VAL 54 HA VAL 54 8.327 3.320 6.640 240 HB VAL 54 HB VAL 54 6.451 3.052 4.996 241 1HG1 VAL 54 1HG1 VAL 54 8.365 4.620 4.664 242 2HG1 VAL 54 2HG1 VAL 54 9.186 3.358 3.712 243 3HG1 VAL 54 3HG1 VAL 54 7.653 4.040 3.147 244 1HG2 VAL 54 1HG2 VAL 54 6.805 0.635 4.413 245 2HG2 VAL 54 2HG2 VAL 54 6.621 1.728 3.028 246 3HG2 VAL 54 3HG2 VAL 54 8.229 1.141 3.473 247 H VAL 55 H VAL 55 6.093 3.351 7.330 248 HA VAL 55 HA VAL 55 5.035 0.838 8.486 249 HB VAL 55 HB VAL 55 4.304 2.370 10.414 250 1HG1 VAL 55 1HG1 VAL 55 7.276 1.796 10.047 251 2HG1 VAL 55 2HG1 VAL 55 6.483 2.143 11.596 252 3HG1 VAL 55 3HG1 VAL 55 6.049 0.689 10.698 253 1HG2 VAL 55 1HG2 VAL 55 4.899 4.554 9.265 254 2HG2 VAL 55 2HG2 VAL 55 5.555 4.370 10.895 255 3HG2 VAL 55 3HG2 VAL 55 6.608 4.151 9.500 256 H ALA 56 H ALA 56 2.569 1.222 8.967 257 HA ALA 56 HA ALA 56 1.313 2.206 6.590 258 1HB ALA 56 1HB ALA 56 0.181 0.637 8.179 259 2HB ALA 56 2HB ALA 56 0.038 1.966 9.347 260 3HB ALA 56 3HB ALA 56 -0.800 2.061 7.797 261 H ASP 57 H ASP 57 2.097 3.769 9.666 262 HA ASP 57 HA ASP 57 0.761 6.211 9.315 263 1HB ASP 57 1HB ASP 57 3.446 5.700 10.663 264 2HB ASP 57 2HB ASP 57 2.478 7.139 10.883 265 H ASP 58 H ASP 58 3.602 5.091 7.589 266 HA ASP 58 HA ASP 58 4.610 7.754 6.880 267 1HB ASP 58 1HB ASP 58 5.467 4.906 6.317 268 2HB ASP 58 2HB ASP 58 6.078 6.230 5.366 269 H PHE 59 H PHE 59 2.327 5.396 5.599 270 HA PHE 59 HA PHE 59 2.433 6.457 2.859 271 1HB PHE 59 1HB PHE 59 0.708 4.378 4.230 272 2HB PHE 59 2HB PHE 59 0.352 5.004 2.633 273 HD1 PHE 59 HD1 PHE 59 1.900 4.624 0.694 274 HD2 PHE 59 HD2 PHE 59 2.565 2.824 4.555 275 HE1 PHE 59 HE1 PHE 59 3.391 2.927 -0.340 276 HE2 PHE 59 HE2 PHE 59 4.096 1.174 3.529 277 HZ PHE 59 HZ PHE 59 4.504 1.211 1.073 278 H TYR 60 H TYR 60 2.197 8.624 3.633 279 HA TYR 60 HA TYR 60 0.072 9.916 4.820 280 1HB TYR 60 1HB TYR 60 1.975 11.097 4.006 281 2HB TYR 60 2HB TYR 60 1.712 10.540 2.363 282 HD1 TYR 60 HD1 TYR 60 0.536 12.914 4.954 283 HD2 TYR 60 HD2 TYR 60 0.203 11.677 0.833 284 HE1 TYR 60 HE1 TYR 60 -0.508 15.080 4.399 285 HE2 TYR 60 HE2 TYR 60 -0.806 13.861 0.253 286 HH TYR 60 HH TYR 60 -1.250 16.448 2.704 287 H THR 61 H THR 61 0.054 8.519 1.504 288 HA THR 61 HA THR 61 -2.406 9.700 0.743 289 HB THR 61 HB THR 61 -1.354 7.398 -0.555 290 HG1 THR 61 HG1 THR 61 0.565 8.242 -0.781 291 1HG2 THR 61 1HG2 THR 61 -3.342 8.735 -1.379 292 2HG2 THR 61 2HG2 THR 61 -2.218 10.067 -1.687 293 3HG2 THR 61 3HG2 THR 61 -2.051 8.518 -2.556 294 H ARG 62 H ARG 62 -4.284 9.216 1.779 295 HA ARG 62 HA ARG 62 -5.015 7.277 3.380 296 1HB ARG 62 1HB ARG 62 -6.500 8.940 1.424 297 2HB ARG 62 2HB ARG 62 -7.400 7.529 1.951 298 1HG ARG 62 1HG ARG 62 -6.100 9.457 3.908 299 2HG ARG 62 2HG ARG 62 -7.759 9.624 3.313 300 1HD ARG 62 1HD ARG 62 -8.267 7.320 4.169 301 2HD ARG 62 2HD ARG 62 -6.619 7.252 4.833 302 HE ARG 62 HE ARG 62 -8.305 9.534 5.642 303 1HH1 ARG 62 1HH1 ARG 62 -7.234 6.275 6.545 304 2HH1 ARG 62 2HH1 ARG 62 -7.500 6.517 8.231 305 1HH2 ARG 62 1HH2 ARG 62 -8.639 9.874 7.774 306 2HH2 ARG 62 2HH2 ARG 62 -8.331 8.640 8.967 307 HA PRO 63 HA PRO 63 -6.563 3.900 0.405 308 1HB PRO 63 1HB PRO 63 -5.755 3.827 -2.221 309 2HB PRO 63 2HB PRO 63 -7.232 4.675 -1.679 310 1HG PRO 63 1HG PRO 63 -4.472 5.852 -2.125 311 2HG PRO 63 2HG PRO 63 -6.033 6.467 -2.745 312 1HD PRO 63 1HD PRO 63 -4.930 7.522 -0.549 313 2HD PRO 63 2HD PRO 63 -6.683 7.217 -0.583 314 H HIS 64 H HIS 64 -3.277 5.194 -0.370 315 HA HIS 64 HA HIS 64 -2.070 2.596 -0.623 316 1HB HIS 64 1HB HIS 64 -0.846 5.281 0.135 317 2HB HIS 64 2HB HIS 64 0.035 3.842 -0.313 318 HD1 HIS 64 HD1 HIS 64 0.629 6.210 -2.007 319 HD2 HIS 64 HD2 HIS 64 -2.440 3.457 -2.832 320 HE1 HIS 64 HE1 HIS 64 0.217 6.293 -4.608 321 H ARG 65 H ARG 65 -2.749 4.782 2.143 322 HA ARG 65 HA ARG 65 -1.462 3.121 4.056 323 1HB ARG 65 1HB ARG 65 -2.777 5.583 4.223 324 2HB ARG 65 2HB ARG 65 -3.899 4.516 5.063 325 1HG ARG 65 1HG ARG 65 -1.430 3.689 6.084 326 2HG ARG 65 2HG ARG 65 -1.173 5.399 5.799 327 1HD ARG 65 1HD ARG 65 -1.797 5.192 8.028 328 2HD ARG 65 2HD ARG 65 -3.226 5.849 7.225 329 HE ARG 65 HE ARG 65 -3.186 2.935 7.324 330 1HH1 ARG 65 1HH1 ARG 65 -3.673 5.588 9.598 331 2HH1 ARG 65 2HH1 ARG 65 -4.854 4.730 10.530 332 1HH2 ARG 65 1HH2 ARG 65 -4.492 1.781 8.605 333 2HH2 ARG 65 2HH2 ARG 65 -5.360 2.496 9.946 334 H HIS 66 H HIS 66 -4.920 3.195 2.962 335 HA HIS 66 HA HIS 66 -5.897 1.160 4.545 336 1HB HIS 66 1HB HIS 66 -6.480 1.861 1.620 337 2HB HIS 66 2HB HIS 66 -7.356 0.628 2.486 338 HD1 HIS 66 HD1 HIS 66 -7.968 4.152 1.641 339 HD2 HIS 66 HD2 HIS 66 -8.447 1.465 4.827 340 HE1 HIS 66 HE1 HIS 66 -9.826 5.083 3.011 341 H ILE 67 H ILE 67 -4.443 0.580 1.248 342 HA ILE 67 HA ILE 67 -4.429 -2.200 1.442 343 HB ILE 67 HB ILE 67 -2.649 -0.219 -0.017 344 1HG1 ILE 67 1HG1 ILE 67 -3.940 -1.809 -1.883 345 2HG1 ILE 67 2HG1 ILE 67 -5.121 -1.801 -0.570 346 1HG2 ILE 67 1HG2 ILE 67 -2.493 -3.257 -0.126 347 2HG2 ILE 67 2HG2 ILE 67 -1.779 -2.172 -1.344 348 3HG2 ILE 67 3HG2 ILE 67 -1.207 -2.139 0.320 349 1HD1 ILE 67 1HD1 ILE 67 -3.987 0.765 -1.703 350 2HD1 ILE 67 2HD1 ILE 67 -5.393 -0.064 -2.400 351 3HD1 ILE 67 3HD1 ILE 67 -5.470 0.500 -0.736 352 H PHE 68 H PHE 68 -1.658 -0.003 2.444 353 HA PHE 68 HA PHE 68 -0.135 -2.194 3.332 354 1HB PHE 68 1HB PHE 68 0.567 0.251 2.925 355 2HB PHE 68 2HB PHE 68 0.039 0.567 4.568 356 HD1 PHE 68 HD1 PHE 68 2.372 -1.524 2.488 357 HD2 PHE 68 HD2 PHE 68 1.462 -0.090 6.445 358 HE1 PHE 68 HE1 PHE 68 4.581 -2.294 3.286 359 HE2 PHE 68 HE2 PHE 68 3.702 -0.829 7.218 360 HZ PHE 68 HZ PHE 68 5.266 -1.915 5.639 361 H THR 69 H THR 69 -2.701 -0.415 5.066 362 HA THR 69 HA THR 69 -2.105 -1.514 7.682 363 HB THR 69 HB THR 69 -4.780 -0.572 6.534 364 HG1 THR 69 HG1 THR 69 -3.192 0.990 6.255 365 1HG2 THR 69 1HG2 THR 69 -4.818 -1.688 8.807 366 2HG2 THR 69 2HG2 THR 69 -3.815 -0.358 9.410 367 3HG2 THR 69 3HG2 THR 69 -5.448 -0.041 8.767 368 H GLU 70 H GLU 70 -4.154 -2.588 4.907 369 HA GLU 70 HA GLU 70 -5.180 -4.751 6.537 370 1HB GLU 70 1HB GLU 70 -6.292 -3.497 4.457 371 2HB GLU 70 2HB GLU 70 -5.418 -4.691 3.531 372 1HG GLU 70 1HG GLU 70 -7.711 -5.456 4.052 373 2HG GLU 70 2HG GLU 70 -6.510 -6.501 4.802 374 H MET 71 H MET 71 -2.574 -4.366 4.161 375 HA MET 71 HA MET 71 -1.844 -7.125 3.936 376 1HB MET 71 1HB MET 71 -0.191 -4.569 3.831 377 2HB MET 71 2HB MET 71 0.449 -6.189 3.502 378 1HG MET 71 1HG MET 71 -1.141 -6.474 1.665 379 2HG MET 71 2HG MET 71 -1.789 -4.861 1.933 380 1HE MET 71 1HE MET 71 -0.194 -6.553 -0.571 381 2HE MET 71 2HE MET 71 -1.139 -5.074 -0.880 382 3HE MET 71 3HE MET 71 0.542 -5.175 -1.411 383 H ALA 72 H ALA 72 -0.678 -4.554 6.232 384 HA ALA 72 HA ALA 72 0.904 -6.267 7.808 385 1HB ALA 72 1HB ALA 72 -0.682 -3.804 8.630 386 2HB ALA 72 2HB ALA 72 0.647 -4.534 9.560 387 3HB ALA 72 3HB ALA 72 0.957 -3.806 7.974 388 H ARG 73 H ARG 73 -2.568 -5.394 8.212 389 HA ARG 73 HA ARG 73 -3.021 -7.033 10.524 390 1HB ARG 73 1HB ARG 73 -4.866 -6.179 8.263 391 2HB ARG 73 2HB ARG 73 -5.433 -7.138 9.630 392 1HG ARG 73 1HG ARG 73 -5.044 -5.463 11.207 393 2HG ARG 73 2HG ARG 73 -4.031 -4.504 10.111 394 1HD ARG 73 1HD ARG 73 -5.931 -4.092 8.636 395 2HD ARG 73 2HD ARG 73 -6.983 -5.093 9.656 396 HE ARG 73 HE ARG 73 -6.075 -3.238 11.419 397 1HH1 ARG 73 1HH1 ARG 73 -7.665 -2.997 8.220 398 2HH1 ARG 73 2HH1 ARG 73 -8.231 -1.378 8.495 399 1HH2 ARG 73 1HH2 ARG 73 -7.000 -1.086 11.802 400 2HH2 ARG 73 2HH2 ARG 73 -8.038 -0.397 10.625 401 H LEU 74 H LEU 74 -3.139 -7.977 7.006 402 HA LEU 74 HA LEU 74 -4.079 -10.613 7.542 403 1HB LEU 74 1HB LEU 74 -2.648 -9.162 5.268 404 2HB LEU 74 2HB LEU 74 -2.873 -10.883 5.182 405 HG LEU 74 HG LEU 74 -5.204 -8.990 5.634 406 1HD1 LEU 74 1HD1 LEU 74 -4.138 -10.019 2.973 407 2HD1 LEU 74 2HD1 LEU 74 -5.663 -9.145 3.217 408 3HD1 LEU 74 3HD1 LEU 74 -4.120 -8.335 3.535 409 1HD2 LEU 74 1HD2 LEU 74 -5.617 -11.378 6.162 410 2HD2 LEU 74 2HD2 LEU 74 -6.535 -10.860 4.740 411 3HD2 LEU 74 3HD2 LEU 74 -5.053 -11.818 4.526 412 H GLN 75 H GLN 75 -0.786 -9.273 7.014 413 HA GLN 75 HA GLN 75 0.553 -11.717 7.275 414 1HB GLN 75 1HB GLN 75 1.298 -9.203 6.619 415 2HB GLN 75 2HB GLN 75 1.671 -9.071 8.323 416 1HG GLN 75 1HG GLN 75 3.710 -9.695 7.373 417 2HG GLN 75 2HG GLN 75 3.096 -11.243 7.952 418 1HE2 GLN 75 2HE2 GLN 75 3.944 -9.337 5.132 419 2HE2 GLN 75 1HE2 GLN 75 3.662 -10.620 3.958 420 H GLU 76 H GLU 76 -0.459 -9.382 9.775 421 HA GLU 76 HA GLU 76 0.625 -10.619 12.047 422 1HB GLU 76 1HB GLU 76 -0.759 -8.400 11.715 423 2HB GLU 76 2HB GLU 76 -2.158 -9.416 12.003 424 1HG GLU 76 1HG GLU 76 -1.716 -8.656 14.131 425 2HG GLU 76 2HG GLU 76 -0.783 -10.156 14.169 426 H SER 77 H SER 77 -2.389 -11.333 10.271 427 HA SER 77 HA SER 77 -3.106 -13.567 12.018 428 1HB SER 77 1HB SER 77 -4.320 -12.639 9.523 429 2HB SER 77 2HB SER 77 -5.024 -13.785 10.671 430 HG SER 77 HG SER 77 -5.671 -11.458 10.772 431 H GLY 78 H GLY 78 -0.624 -13.301 9.891 432 1HA GLY 78 1HA GLY 78 0.748 -14.850 8.986 433 2HA GLY 78 2HA GLY 78 -0.275 -16.143 9.625 434 H SER 79 H SER 79 -1.579 -13.574 7.621 435 HA SER 79 HA SER 79 -2.554 -15.698 5.768 436 1HB SER 79 1HB SER 79 -3.565 -12.873 6.224 437 2HB SER 79 2HB SER 79 -4.340 -14.117 5.233 438 HG SER 79 HG SER 79 -3.697 -14.576 7.940 439 HA PRO 80 HA PRO 80 -0.032 -13.987 2.486 440 1HB PRO 80 1HB PRO 80 -2.390 -14.325 0.664 441 2HB PRO 80 2HB PRO 80 -0.731 -14.958 0.492 442 1HG PRO 80 1HG PRO 80 -2.808 -16.581 1.216 443 2HG PRO 80 2HG PRO 80 -1.166 -16.782 1.903 444 1HD PRO 80 1HD PRO 80 -3.554 -15.457 3.157 445 2HD PRO 80 2HD PRO 80 -2.332 -16.546 3.878 446 H ILE 81 H ILE 81 -0.043 -12.194 0.899 447 HA ILE 81 HA ILE 81 -2.025 -10.051 1.478 448 HB ILE 81 HB ILE 81 -0.259 -8.411 1.383 449 1HG1 ILE 81 1HG1 ILE 81 1.775 -10.683 1.381 450 2HG1 ILE 81 2HG1 ILE 81 1.383 -9.678 -0.019 451 1HG2 ILE 81 1HG2 ILE 81 -1.023 -9.453 3.545 452 2HG2 ILE 81 2HG2 ILE 81 0.391 -10.515 3.497 453 3HG2 ILE 81 3HG2 ILE 81 0.598 -8.760 3.629 454 1HD1 ILE 81 1HD1 ILE 81 2.039 -7.642 1.331 455 2HD1 ILE 81 2HD1 ILE 81 2.659 -8.746 2.577 456 3HD1 ILE 81 3HD1 ILE 81 3.365 -8.759 0.955 457 H ASP 82 H ASP 82 -1.821 -12.137 -0.584 458 HA ASP 82 HA ASP 82 -1.087 -11.011 -3.115 459 1HB ASP 82 1HB ASP 82 -1.692 -13.522 -2.178 460 2HB ASP 82 2HB ASP 82 -3.212 -13.121 -2.960 461 H LEU 83 H LEU 83 -2.826 -10.871 -4.868 462 HA LEU 83 HA LEU 83 -4.297 -8.547 -4.414 463 1HB LEU 83 1HB LEU 83 -3.519 -9.781 -6.616 464 2HB LEU 83 2HB LEU 83 -5.046 -10.600 -6.551 465 HG LEU 83 HG LEU 83 -5.344 -8.831 -8.043 466 1HD1 LEU 83 1HD1 LEU 83 -7.197 -8.866 -6.330 467 2HD1 LEU 83 2HD1 LEU 83 -6.397 -7.522 -5.499 468 3HD1 LEU 83 3HD1 LEU 83 -6.976 -7.313 -7.159 469 1HD2 LEU 83 1HD2 LEU 83 -3.235 -7.688 -7.318 470 2HD2 LEU 83 2HD2 LEU 83 -4.555 -6.613 -7.768 471 3HD2 LEU 83 3HD2 LEU 83 -4.172 -6.860 -6.055 472 H ILE 84 H ILE 84 -5.951 -11.773 -5.060 473 HA ILE 84 HA ILE 84 -8.364 -10.904 -4.267 474 HB ILE 84 HB ILE 84 -7.293 -13.739 -4.071 475 1HG1 ILE 84 1HG1 ILE 84 -8.064 -13.604 -6.634 476 2HG1 ILE 84 2HG1 ILE 84 -7.538 -11.966 -6.524 477 1HG2 ILE 84 1HG2 ILE 84 -9.696 -13.357 -3.501 478 2HG2 ILE 84 2HG2 ILE 84 -9.943 -12.583 -5.079 479 3HG2 ILE 84 3HG2 ILE 84 -9.535 -14.306 -4.986 480 1HD1 ILE 84 1HD1 ILE 84 -5.919 -14.504 -5.991 481 2HD1 ILE 84 2HD1 ILE 84 -5.880 -13.521 -7.463 482 3HD1 ILE 84 3HD1 ILE 84 -5.226 -12.876 -5.954 483 H THR 85 H THR 85 -5.792 -12.350 -2.240 484 HA THR 85 HA THR 85 -7.335 -12.806 0.028 485 HB THR 85 HB THR 85 -4.463 -11.898 0.224 486 HG1 THR 85 HG1 THR 85 -5.289 -14.390 -0.861 487 1HG2 THR 85 1HG2 THR 85 -6.029 -14.222 1.459 488 2HG2 THR 85 2HG2 THR 85 -4.346 -13.796 1.817 489 3HG2 THR 85 3HG2 THR 85 -5.640 -12.681 2.260 490 H LEU 86 H LEU 86 -5.482 -10.010 -0.972 491 HA LEU 86 HA LEU 86 -5.979 -8.276 1.243 492 1HB LEU 86 1HB LEU 86 -4.178 -8.037 -0.472 493 2HB LEU 86 2HB LEU 86 -5.376 -7.708 -1.694 494 HG LEU 86 HG LEU 86 -6.066 -5.632 -0.483 495 1HD1 LEU 86 1HD1 LEU 86 -3.664 -6.311 1.278 496 2HD1 LEU 86 2HD1 LEU 86 -4.490 -4.736 1.247 497 3HD1 LEU 86 3HD1 LEU 86 -5.354 -6.180 1.799 498 1HD2 LEU 86 1HD2 LEU 86 -4.450 -5.658 -2.355 499 2HD2 LEU 86 2HD2 LEU 86 -4.096 -4.370 -1.193 500 3HD2 LEU 86 3HD2 LEU 86 -3.125 -5.871 -1.208 501 H ALA 87 H ALA 87 -7.458 -8.571 -1.927 502 HA ALA 87 HA ALA 87 -9.441 -6.565 -1.677 503 1HB ALA 87 1HB ALA 87 -8.799 -7.769 -3.818 504 2HB ALA 87 2HB ALA 87 -9.745 -9.157 -3.254 505 3HB ALA 87 3HB ALA 87 -10.544 -7.593 -3.532 506 H GLU 88 H GLU 88 -9.690 -10.069 -0.971 507 HA GLU 88 HA GLU 88 -12.338 -10.125 0.008 508 1HB GLU 88 1HB GLU 88 -9.853 -11.768 0.569 509 2HB GLU 88 2HB GLU 88 -11.359 -12.083 1.411 510 1HG GLU 88 1HG GLU 88 -11.795 -11.968 -1.494 511 2HG GLU 88 2HG GLU 88 -10.545 -13.141 -1.069 512 H SER 89 H SER 89 -9.233 -9.459 1.636 513 HA SER 89 HA SER 89 -10.403 -9.346 4.232 514 1HB SER 89 1HB SER 89 -7.937 -9.587 3.546 515 2HB SER 89 2HB SER 89 -7.903 -7.825 3.392 516 HG SER 89 HG SER 89 -8.317 -7.660 5.590 517 H LEU 90 H LEU 90 -9.786 -6.862 1.764 518 HA LEU 90 HA LEU 90 -10.711 -4.669 3.366 519 1HB LEU 90 1HB LEU 90 -10.198 -5.116 0.432 520 2HB LEU 90 2HB LEU 90 -11.029 -3.662 0.958 521 HG LEU 90 HG LEU 90 -8.345 -4.512 2.122 522 1HD1 LEU 90 1HD1 LEU 90 -8.868 -2.684 -0.240 523 2HD1 LEU 90 2HD1 LEU 90 -7.297 -2.900 0.578 524 3HD1 LEU 90 3HD1 LEU 90 -8.050 -4.265 -0.251 525 1HD2 LEU 90 1HD2 LEU 90 -9.752 -1.796 2.073 526 2HD2 LEU 90 2HD2 LEU 90 -9.532 -2.828 3.500 527 3HD2 LEU 90 3HD2 LEU 90 -8.130 -2.106 2.720 528 H GLU 91 H GLU 91 -12.518 -6.853 1.050 529 HA GLU 91 HA GLU 91 -14.956 -5.342 1.595 530 1HB GLU 91 1HB GLU 91 -16.240 -7.153 0.658 531 2HB GLU 91 2HB GLU 91 -14.953 -6.640 -0.423 532 1HG GLU 91 1HG GLU 91 -13.663 -8.581 0.063 533 2HG GLU 91 2HG GLU 91 -14.736 -9.074 1.385 534 H ARG 92 H ARG 92 -13.385 -8.086 3.298 535 HA ARG 92 HA ARG 92 -15.566 -8.470 5.123 536 1HB ARG 92 1HB ARG 92 -12.569 -8.899 5.520 537 2HB ARG 92 2HB ARG 92 -13.792 -9.313 6.702 538 1HG ARG 92 1HG ARG 92 -14.724 -10.508 4.292 539 2HG ARG 92 2HG ARG 92 -12.978 -10.750 4.274 540 1HD ARG 92 1HD ARG 92 -14.032 -12.640 5.339 541 2HD ARG 92 2HD ARG 92 -13.076 -11.755 6.524 542 HE ARG 92 HE ARG 92 -16.042 -11.430 6.213 543 1HH1 ARG 92 1HH1 ARG 92 -13.268 -11.905 8.459 544 2HH1 ARG 92 2HH1 ARG 92 -14.287 -11.993 9.841 545 1HH2 ARG 92 1HH2 ARG 92 -17.296 -11.358 8.105 546 2HH2 ARG 92 2HH2 ARG 92 -16.629 -11.946 9.599 547 H GLN 93 H GLN 93 -12.887 -6.124 5.150 548 HA GLN 93 HA GLN 93 -13.746 -4.886 7.645 549 1HB GLN 93 1HB GLN 93 -12.123 -3.741 5.336 550 2HB GLN 93 2HB GLN 93 -12.301 -2.978 6.908 551 1HG GLN 93 1HG GLN 93 -10.985 -5.683 6.531 552 2HG GLN 93 2HG GLN 93 -10.149 -4.140 6.445 553 1HE2 GLN 93 2HE2 GLN 93 -8.839 -4.954 8.125 554 2HE2 GLN 93 1HE2 GLN 93 -9.367 -5.009 9.818 555 H GLY 94 H GLY 94 -15.112 -4.796 4.409 556 1HA GLY 94 1HA GLY 94 -16.676 -3.449 3.459 557 2HA GLY 94 2HA GLY 94 -17.032 -2.758 5.050 558 H GLN 95 H GLN 95 -13.896 -2.851 3.359 559 HA GLN 95 HA GLN 95 -13.857 0.111 3.097 560 1HB GLN 95 1HB GLN 95 -11.701 -1.666 4.270 561 2HB GLN 95 2HB GLN 95 -11.438 0.000 3.737 562 1HG GLN 95 1HG GLN 95 -13.241 0.783 5.267 563 2HG GLN 95 2HG GLN 95 -13.428 -0.861 5.873 564 1HE2 GLN 95 2HE2 GLN 95 -12.684 -0.701 8.016 565 2HE2 GLN 95 1HE2 GLN 95 -11.189 0.067 8.452 566 H LEU 96 H LEU 96 -14.172 -2.474 1.237 567 HA LEU 96 HA LEU 96 -11.903 -2.364 -0.526 568 1HB LEU 96 1HB LEU 96 -13.488 -4.281 -0.329 569 2HB LEU 96 2HB LEU 96 -14.713 -3.303 -1.149 570 HG LEU 96 HG LEU 96 -13.229 -3.136 -3.140 571 1HD1 LEU 96 1HD1 LEU 96 -11.359 -4.954 -1.565 572 2HD1 LEU 96 2HD1 LEU 96 -11.252 -4.687 -3.311 573 3HD1 LEU 96 3HD1 LEU 96 -10.978 -3.338 -2.216 574 1HD2 LEU 96 1HD2 LEU 96 -14.879 -4.961 -2.890 575 2HD2 LEU 96 2HD2 LEU 96 -13.481 -5.440 -3.864 576 3HD2 LEU 96 3HD2 LEU 96 -13.608 -5.983 -2.170 577 H ASP 97 H ASP 97 -15.177 -0.870 -0.720 578 HA ASP 97 HA ASP 97 -14.652 0.655 -3.079 579 1HB ASP 97 1HB ASP 97 -16.424 1.499 -0.745 580 2HB ASP 97 2HB ASP 97 -16.417 2.196 -2.355 581 H SER 98 H SER 98 -13.874 1.178 0.322 582 HA SER 98 HA SER 98 -13.057 3.892 0.106 583 1HB SER 98 1HB SER 98 -12.164 1.857 2.185 584 2HB SER 98 2HB SER 98 -12.072 3.609 2.302 585 HG SER 98 HG SER 98 -14.424 1.996 2.144 586 H VAL 99 H VAL 99 -11.378 1.106 -1.132 587 HA VAL 99 HA VAL 99 -8.941 2.825 -1.280 588 HB VAL 99 HB VAL 99 -7.657 0.985 -1.887 589 1HG1 VAL 99 1HG1 VAL 99 -8.370 1.360 0.522 590 2HG1 VAL 99 2HG1 VAL 99 -9.429 -0.036 0.369 591 3HG1 VAL 99 3HG1 VAL 99 -7.677 -0.243 0.160 592 1HG2 VAL 99 1HG2 VAL 99 -9.331 -0.306 -3.290 593 2HG2 VAL 99 2HG2 VAL 99 -8.346 -1.275 -2.197 594 3HG2 VAL 99 3HG2 VAL 99 -10.016 -0.923 -1.769 595 H GLY 100 H GLY 100 -11.687 2.005 -3.051 596 1HA GLY 100 1HA GLY 100 -11.962 3.176 -5.236 597 2HA GLY 100 2HA GLY 100 -10.354 2.612 -5.667 598 H GLY 101 H GLY 101 -11.986 0.153 -3.880 599 1HA GLY 101 1HA GLY 101 -13.372 -1.571 -4.556 600 2HA GLY 101 2HA GLY 101 -13.236 -1.091 -6.247 601 H PHE 102 H PHE 102 -12.886 -3.628 -6.000 602 HA PHE 102 HA PHE 102 -10.270 -4.694 -5.482 603 1HB PHE 102 1HB PHE 102 -12.404 -5.960 -5.890 604 2HB PHE 102 2HB PHE 102 -12.326 -5.509 -7.574 605 HD1 PHE 102 HD1 PHE 102 -9.955 -6.253 -8.806 606 HD2 PHE 102 HD2 PHE 102 -11.720 -8.083 -5.321 607 HE1 PHE 102 HE1 PHE 102 -8.665 -8.307 -9.214 608 HE2 PHE 102 HE2 PHE 102 -10.378 -10.115 -5.714 609 HZ PHE 102 HZ PHE 102 -8.877 -10.269 -7.679 610 H ALA 103 H ALA 103 -11.728 -2.911 -8.157 611 HA ALA 103 HA ALA 103 -9.851 -3.187 -10.170 612 1HB ALA 103 1HB ALA 103 -11.419 -0.688 -9.325 613 2HB ALA 103 2HB ALA 103 -10.657 -0.932 -10.902 614 3HB ALA 103 3HB ALA 103 -12.002 -1.971 -10.413 615 H TYR 104 H TYR 104 -9.669 -0.905 -7.382 616 HA TYR 104 HA TYR 104 -7.324 0.398 -8.375 617 1HB TYR 104 1HB TYR 104 -9.051 0.969 -6.422 618 2HB TYR 104 2HB TYR 104 -7.892 0.134 -5.410 619 HD1 TYR 104 HD1 TYR 104 -8.388 2.906 -7.825 620 HD2 TYR 104 HD2 TYR 104 -5.844 1.316 -4.733 621 HE1 TYR 104 HE1 TYR 104 -7.321 5.115 -7.567 622 HE2 TYR 104 HE2 TYR 104 -4.733 3.530 -4.500 623 HH TYR 104 HH TYR 104 -4.747 5.863 -5.234 624 H LEU 105 H LEU 105 -7.818 -2.570 -6.573 625 HA LEU 105 HA LEU 105 -5.050 -2.858 -5.690 626 1HB LEU 105 1HB LEU 105 -7.205 -4.996 -5.919 627 2HB LEU 105 2HB LEU 105 -5.701 -5.091 -5.017 628 HG LEU 105 HG LEU 105 -8.019 -3.193 -4.404 629 1HD1 LEU 105 1HD1 LEU 105 -8.521 -5.532 -3.959 630 2HD1 LEU 105 2HD1 LEU 105 -7.062 -5.686 -2.954 631 3HD1 LEU 105 3HD1 LEU 105 -8.394 -4.601 -2.467 632 1HD2 LEU 105 1HD2 LEU 105 -5.314 -3.596 -3.081 633 2HD2 LEU 105 2HD2 LEU 105 -6.039 -2.090 -3.671 634 3HD2 LEU 105 3HD2 LEU 105 -6.696 -2.878 -2.228 635 H ALA 106 H ALA 106 -7.136 -4.127 -8.350 636 HA ALA 106 HA ALA 106 -5.140 -5.709 -9.623 637 1HB ALA 106 1HB ALA 106 -7.541 -5.832 -10.194 638 2HB ALA 106 2HB ALA 106 -7.465 -4.188 -10.870 639 3HB ALA 106 3HB ALA 106 -6.541 -5.497 -11.623 640 H GLU 107 H GLU 107 -6.047 -2.295 -10.001 641 HA GLU 107 HA GLU 107 -4.143 -1.660 -11.966 642 1HB GLU 107 1HB GLU 107 -6.211 -0.314 -10.833 643 2HB GLU 107 2HB GLU 107 -4.905 0.426 -9.925 644 1HG GLU 107 1HG GLU 107 -5.296 1.806 -11.823 645 2HG GLU 107 2HG GLU 107 -3.806 0.931 -12.193 646 H LEU 108 H LEU 108 -3.877 -1.366 -8.397 647 HA LEU 108 HA LEU 108 -1.241 -0.326 -8.257 648 1HB LEU 108 1HB LEU 108 -2.967 -2.050 -6.443 649 2HB LEU 108 2HB LEU 108 -1.291 -1.789 -6.010 650 HG LEU 108 HG LEU 108 -3.132 0.566 -6.565 651 1HD1 LEU 108 1HD1 LEU 108 -2.623 -0.837 -3.897 652 2HD1 LEU 108 2HD1 LEU 108 -3.468 0.715 -4.121 653 3HD1 LEU 108 3HD1 LEU 108 -4.169 -0.773 -4.775 654 1HD2 LEU 108 1HD2 LEU 108 -0.571 0.207 -4.942 655 2HD2 LEU 108 2HD2 LEU 108 -0.694 0.968 -6.531 656 3HD2 LEU 108 3HD2 LEU 108 -1.475 1.725 -5.128 657 H SER 109 H SER 109 -2.338 -3.722 -8.234 658 HA SER 109 HA SER 109 0.245 -4.897 -8.052 659 1HB SER 109 1HB SER 109 -1.870 -6.024 -7.580 660 2HB SER 109 2HB SER 109 -2.329 -5.948 -9.290 661 HG SER 109 HG SER 109 -0.118 -7.371 -8.174 662 H LYS 110 H LYS 110 -1.753 -4.004 -10.934 663 HA LYS 110 HA LYS 110 0.272 -4.862 -12.825 664 1HB LYS 110 1HB LYS 110 -2.195 -3.098 -13.070 665 2HB LYS 110 2HB LYS 110 -1.155 -3.566 -14.434 666 1HG LYS 110 1HG LYS 110 -1.503 -5.925 -13.986 667 2HG LYS 110 2HG LYS 110 -2.505 -5.585 -12.580 668 1HD LYS 110 1HD LYS 110 -4.148 -4.405 -14.005 669 2HD LYS 110 2HD LYS 110 -3.179 -4.780 -15.441 670 1HE LYS 110 1HE LYS 110 -4.492 -6.794 -13.550 671 2HE LYS 110 2HE LYS 110 -5.030 -6.351 -15.175 672 1HZ LYS 110 1HZ LYS 110 -2.741 -7.171 -15.898 673 2HZ LYS 110 2HZ LYS 110 -2.607 -7.856 -14.430 674 3HZ LYS 110 3HZ LYS 110 -3.824 -8.325 -15.442 675 H ASN 111 H ASN 111 0.051 -2.110 -10.807 676 HA ASN 111 HA ASN 111 1.915 -0.545 -12.419 677 1HB ASN 111 1HB ASN 111 -0.083 0.318 -10.897 678 2HB ASN 111 2HB ASN 111 1.064 0.092 -9.569 679 1HD2 ASN 111 2HD2 ASN 111 0.001 2.594 -9.963 680 2HD2 ASN 111 1HD2 ASN 111 1.225 3.608 -10.736 681 H THR 112 H THR 112 2.473 -3.155 -11.158 682 HA THR 112 HA THR 112 4.821 -2.591 -9.445 683 HB THR 112 HB THR 112 4.047 -5.266 -10.602 684 HG1 THR 112 HG1 THR 112 2.460 -4.710 -9.283 685 1HG2 THR 112 1HG2 THR 112 5.962 -4.341 -8.396 686 2HG2 THR 112 2HG2 THR 112 5.495 -6.027 -8.653 687 3HG2 THR 112 3HG2 THR 112 6.381 -5.181 -9.915 688 HA PRO 113 HA PRO 113 6.988 -2.301 -13.492 689 1HB PRO 113 1HB PRO 113 9.207 -0.975 -12.715 690 2HB PRO 113 2HB PRO 113 7.604 -0.192 -12.678 691 1HG PRO 113 1HG PRO 113 9.066 -1.480 -10.351 692 2HG PRO 113 2HG PRO 113 8.304 0.148 -10.442 693 1HD PRO 113 1HD PRO 113 7.014 -2.057 -9.412 694 2HD PRO 113 2HD PRO 113 6.177 -0.703 -10.223 695 H SER 114 H SER 114 6.791 -4.826 -12.481 696 HA SER 114 HA SER 114 7.714 -6.753 -11.730 697 1HB SER 114 1HB SER 114 10.001 -5.886 -13.529 698 2HB SER 114 2HB SER 114 9.647 -7.531 -12.978 699 HG SER 114 HG SER 114 8.799 -7.355 -14.933 700 H ALA 115 H ALA 115 8.260 -4.437 -10.023 701 HA ALA 115 HA ALA 115 9.450 -3.724 -8.256 702 1HB ALA 115 1HB ALA 115 10.036 -6.695 -8.038 703 2HB ALA 115 2HB ALA 115 10.295 -5.524 -6.744 704 3HB ALA 115 3HB ALA 115 8.662 -5.784 -7.364 705 H ALA 116 H ALA 116 10.940 -3.857 -10.914 706 HA ALA 116 HA ALA 116 13.490 -4.696 -10.746 707 1HB ALA 116 1HB ALA 116 12.333 -3.851 -12.769 708 2HB ALA 116 2HB ALA 116 12.569 -2.177 -12.195 709 3HB ALA 116 3HB ALA 116 13.963 -3.206 -12.604 710 H ASN 117 H ASN 117 12.327 -1.787 -9.192 711 HA ASN 117 HA ASN 117 14.712 -1.766 -7.565 712 1HB ASN 117 1HB ASN 117 15.233 -0.225 -9.594 713 2HB ASN 117 2HB ASN 117 14.233 0.941 -8.726 714 1HD2 ASN 117 2HD2 ASN 117 16.816 1.649 -9.011 715 2HD2 ASN 117 1HD2 ASN 117 17.763 1.326 -7.567 716 H ILE 118 H ILE 118 12.472 -2.689 -6.807 717 HA ILE 118 HA ILE 118 10.528 -0.892 -5.778 718 HB ILE 118 HB ILE 118 10.365 -3.337 -6.098 719 1HG1 ILE 118 1HG1 ILE 118 9.542 -2.298 -3.356 720 2HG1 ILE 118 2HG1 ILE 118 8.671 -2.059 -4.874 721 1HG2 ILE 118 1HG2 ILE 118 12.484 -4.056 -5.035 722 2HG2 ILE 118 2HG2 ILE 118 11.705 -3.776 -3.449 723 3HG2 ILE 118 3HG2 ILE 118 11.074 -4.991 -4.567 724 1HD1 ILE 118 1HD1 ILE 118 8.371 -4.567 -5.017 725 2HD1 ILE 118 2HD1 ILE 118 9.055 -4.680 -3.378 726 3HD1 ILE 118 3HD1 ILE 118 7.552 -3.791 -3.642 727 H SER 119 H SER 119 13.272 -2.325 -4.281 728 HA SER 119 HA SER 119 13.369 -1.164 -1.784 729 1HB SER 119 1HB SER 119 15.110 -2.705 -2.751 730 2HB SER 119 2HB SER 119 15.744 -1.358 -3.689 731 HG SER 119 HG SER 119 15.552 -1.369 -0.843 732 H ALA 120 H ALA 120 14.409 0.379 -4.751 733 HA ALA 120 HA ALA 120 15.244 2.861 -3.531 734 1HB ALA 120 1HB ALA 120 14.598 2.090 -6.397 735 2HB ALA 120 2HB ALA 120 15.314 3.635 -5.939 736 3HB ALA 120 3HB ALA 120 16.187 2.121 -5.623 737 H TYR 121 H TYR 121 12.142 1.705 -4.899 738 HA TYR 121 HA TYR 121 10.867 4.302 -4.737 739 1HB TYR 121 1HB TYR 121 9.814 1.473 -5.055 740 2HB TYR 121 2HB TYR 121 8.791 2.880 -4.907 741 HD1 TYR 121 HD1 TYR 121 9.700 4.962 -6.567 742 HD2 TYR 121 HD2 TYR 121 10.024 0.717 -7.288 743 HE1 TYR 121 HE1 TYR 121 9.708 5.384 -8.985 744 HE2 TYR 121 HE2 TYR 121 10.140 1.165 -9.733 745 HH TYR 121 HH TYR 121 9.760 4.446 -11.100 746 H ALA 122 H ALA 122 11.087 1.417 -2.581 747 HA ALA 122 HA ALA 122 9.411 2.473 -0.515 748 1HB ALA 122 1HB ALA 122 10.148 0.096 -0.636 749 2HB ALA 122 2HB ALA 122 11.805 0.598 -0.236 750 3HB ALA 122 3HB ALA 122 10.499 0.835 0.939 751 H ASP 123 H ASP 123 12.929 2.814 -1.101 752 HA ASP 123 HA ASP 123 13.554 4.488 1.085 753 1HB ASP 123 1HB ASP 123 14.661 4.568 -1.752 754 2HB ASP 123 2HB ASP 123 15.304 5.506 -0.418 755 H ILE 124 H ILE 124 12.131 5.320 -2.109 756 HA ILE 124 HA ILE 124 12.080 8.153 -1.657 757 HB ILE 124 HB ILE 124 10.674 6.307 -3.599 758 1HG1 ILE 124 1HG1 ILE 124 12.565 8.609 -4.153 759 2HG1 ILE 124 2HG1 ILE 124 13.173 7.015 -3.731 760 1HG2 ILE 124 1HG2 ILE 124 10.245 9.294 -3.348 761 2HG2 ILE 124 2HG2 ILE 124 9.810 8.341 -4.782 762 3HG2 ILE 124 3HG2 ILE 124 9.019 8.016 -3.246 763 1HD1 ILE 124 1HD1 ILE 124 11.892 6.040 -5.667 764 2HD1 ILE 124 2HD1 ILE 124 11.477 7.699 -6.154 765 3HD1 ILE 124 3HD1 ILE 124 13.166 7.171 -6.124 766 H VAL 125 H VAL 125 9.555 5.593 -1.064 767 HA VAL 125 HA VAL 125 7.601 7.427 -0.108 768 HB VAL 125 HB VAL 125 7.990 4.576 0.907 769 1HG1 VAL 125 1HG1 VAL 125 5.547 6.408 0.778 770 2HG1 VAL 125 2HG1 VAL 125 5.530 4.705 1.301 771 3HG1 VAL 125 3HG1 VAL 125 6.398 5.907 2.247 772 1HG2 VAL 125 1HG2 VAL 125 6.726 5.583 -1.649 773 2HG2 VAL 125 2HG2 VAL 125 7.800 4.203 -1.387 774 3HG2 VAL 125 3HG2 VAL 125 6.144 4.097 -0.852 775 H ARG 126 H ARG 126 10.171 5.634 1.678 776 HA ARG 126 HA ARG 126 9.575 6.806 4.203 777 1HB ARG 126 1HB ARG 126 10.971 4.799 3.974 778 2HB ARG 126 2HB ARG 126 12.216 5.717 3.129 779 1HG ARG 126 1HG ARG 126 12.736 5.261 5.517 780 2HG ARG 126 2HG ARG 126 12.748 6.980 5.118 781 1HD ARG 126 1HD ARG 126 10.591 7.318 6.207 782 2HD ARG 126 2HD ARG 126 10.371 5.584 6.403 783 HE ARG 126 HE ARG 126 12.785 6.706 7.620 784 1HH1 ARG 126 1HH1 ARG 126 9.301 5.903 8.177 785 2HH1 ARG 126 2HH1 ARG 126 9.532 5.651 9.870 786 1HH2 ARG 126 1HH2 ARG 126 12.979 6.505 9.908 787 2HH2 ARG 126 2HH2 ARG 126 11.678 5.907 10.862 788 H GLU 127 H GLU 127 11.708 7.946 1.536 789 HA GLU 127 HA GLU 127 12.853 10.128 2.886 790 1HB GLU 127 1HB GLU 127 13.208 9.253 0.393 791 2HB GLU 127 2HB GLU 127 11.892 10.331 -0.014 792 1HG GLU 127 1HG GLU 127 13.878 11.550 -0.403 793 2HG GLU 127 2HG GLU 127 13.211 12.211 1.093 794 H ARG 128 H ARG 128 9.783 9.962 1.032 795 HA ARG 128 HA ARG 128 9.149 12.712 1.638 796 1HB ARG 128 1HB ARG 128 7.092 10.588 0.969 797 2HB ARG 128 2HB ARG 128 6.959 12.332 0.782 798 1HG ARG 128 1HG ARG 128 8.387 10.327 -0.907 799 2HG ARG 128 2HG ARG 128 7.278 11.612 -1.359 800 1HD ARG 128 1HD ARG 128 9.129 13.257 -0.869 801 2HD ARG 128 2HD ARG 128 10.210 11.882 -0.654 802 HE ARG 128 HE ARG 128 8.637 12.154 -3.173 803 1HH1 ARG 128 1HH1 ARG 128 11.858 12.138 -1.668 804 2HH1 ARG 128 2HH1 ARG 128 12.665 11.557 -3.101 805 1HH2 ARG 128 1HH2 ARG 128 9.784 11.945 -5.165 806 2HH2 ARG 128 2HH2 ARG 128 11.497 11.861 -5.159 807 H ALA 129 H ALA 129 8.617 9.683 3.426 808 HA ALA 129 HA ALA 129 6.783 10.806 5.321 809 1HB ALA 129 1HB ALA 129 7.060 8.376 5.023 810 2HB ALA 129 2HB ALA 129 8.687 8.476 5.728 811 3HB ALA 129 3HB ALA 129 7.279 8.899 6.703 812 H VAL 130 H VAL 130 10.433 10.515 5.326 813 HA VAL 130 HA VAL 130 10.718 11.833 7.859 814 HB VAL 130 HB VAL 130 12.647 11.612 5.509 815 1HG1 VAL 130 1HG1 VAL 130 13.173 12.366 8.421 816 2HG1 VAL 130 2HG1 VAL 130 14.417 12.071 7.177 817 3HG1 VAL 130 3HG1 VAL 130 13.326 13.451 7.029 818 1HG2 VAL 130 1HG2 VAL 130 12.368 9.975 8.075 819 2HG2 VAL 130 2HG2 VAL 130 12.037 9.398 6.439 820 3HG2 VAL 130 3HG2 VAL 130 13.685 9.825 6.893 821 H VAL 131 H VAL 131 10.567 13.073 4.501 822 HA VAL 131 HA VAL 131 10.965 15.826 5.193 823 HB VAL 131 HB VAL 131 9.493 14.424 2.934 824 1HG1 VAL 131 1HG1 VAL 131 10.161 17.376 3.054 825 2HG1 VAL 131 2HG1 VAL 131 9.570 16.486 1.624 826 3HG1 VAL 131 3HG1 VAL 131 8.533 16.653 3.040 827 1HG2 VAL 131 1HG2 VAL 131 12.038 14.165 3.096 828 2HG2 VAL 131 2HG2 VAL 131 11.420 14.826 1.593 829 3HG2 VAL 131 3HG2 VAL 131 12.145 15.907 2.794 830 H ARG 132 H ARG 132 8.097 13.726 5.350 831 HA ARG 132 HA ARG 132 6.227 15.824 5.964 832 1HB ARG 132 1HB ARG 132 6.063 13.033 5.376 833 2HB ARG 132 2HB ARG 132 5.607 13.143 7.049 834 1HG ARG 132 1HG ARG 132 3.607 13.282 5.712 835 2HG ARG 132 2HG ARG 132 3.891 14.871 6.453 836 1HD ARG 132 1HD ARG 132 3.908 15.794 4.397 837 2HD ARG 132 2HD ARG 132 5.384 14.923 4.013 838 HE ARG 132 HE ARG 132 2.879 14.631 2.832 839 1HH1 ARG 132 1HH1 ARG 132 5.529 12.416 3.748 840 2HH1 ARG 132 2HH1 ARG 132 5.010 11.176 2.669 841 1HH2 ARG 132 1HH2 ARG 132 2.477 13.303 1.260 842 2HH2 ARG 132 2HH2 ARG 132 3.256 11.774 1.001 843 H GLU 133 H GLU 133 8.360 13.828 7.888 844 HA GLU 133 HA GLU 133 7.306 14.637 10.423 845 1HB GLU 133 1HB GLU 133 8.759 13.279 11.347 846 2HB GLU 133 2HB GLU 133 9.121 12.745 9.714 847 1HG GLU 133 1HG GLU 133 11.118 14.299 9.736 848 2HG GLU 133 2HG GLU 133 10.664 14.818 11.347 849 H MET 134 H MET 134 9.819 15.904 8.305 850 HA MET 134 HA MET 134 10.500 18.167 9.967 851 1HB MET 134 1HB MET 134 11.125 17.490 7.063 852 2HB MET 134 2HB MET 134 11.821 18.845 7.971 853 1HG MET 134 1HG MET 134 12.665 17.219 9.675 854 2HG MET 134 2HG MET 134 12.176 15.905 8.607 855 1HE MET 134 1HE MET 134 15.095 16.604 9.858 856 2HE MET 134 2HE MET 134 16.193 17.490 8.784 857 3HE MET 134 3HE MET 134 14.862 18.346 9.600 858 H ILE 135 H ILE 135 7.705 18.133 9.661 859 HA ILE 135 HA ILE 135 7.259 20.699 8.212 860 HB ILE 135 HB ILE 135 5.274 18.494 8.843 861 1HG1 ILE 135 1HG1 ILE 135 6.266 19.692 6.210 862 2HG1 ILE 135 2HG1 ILE 135 6.698 18.110 6.837 863 1HG2 ILE 135 1HG2 ILE 135 4.236 20.705 9.237 864 2HG2 ILE 135 2HG2 ILE 135 4.746 21.241 7.617 865 3HG2 ILE 135 3HG2 ILE 135 3.557 19.933 7.821 866 1HD1 ILE 135 1HD1 ILE 135 4.280 17.430 6.658 867 2HD1 ILE 135 2HD1 ILE 135 3.984 18.973 5.817 868 3HD1 ILE 135 3HD1 ILE 135 5.090 17.792 5.117 869 H SER 136 H SER 136 6.689 22.359 9.420 870 HA SER 136 HA SER 136 6.717 23.709 11.226 871 1HB SER 136 1HB SER 136 4.460 22.526 11.472 872 2HB SER 136 2HB SER 136 5.229 21.504 12.691 873 HG SER 136 HG SER 136 5.531 23.224 13.986 Start of MODEL 11 1 1H MET 23 1H MET 23 8.732 28.510 2.490 2 2H MET 23 2H MET 23 8.714 29.032 0.931 3 3H MET 23 3H MET 23 7.804 29.804 2.075 4 HA MET 23 HA MET 23 6.389 27.998 2.361 5 1HB MET 23 1HB MET 23 6.881 28.662 -0.561 6 2HB MET 23 2HB MET 23 5.586 27.574 -0.027 7 1HG MET 23 1HG MET 23 4.702 29.368 1.450 8 2HG MET 23 2HG MET 23 5.960 30.457 0.849 9 1HE MET 23 1HE MET 23 2.739 28.451 0.089 10 2HE MET 23 2HE MET 23 2.314 28.941 -1.568 11 3HE MET 23 3HE MET 23 3.678 27.843 -1.287 12 H LYS 24 H LYS 24 6.137 25.837 2.519 13 HA LYS 24 HA LYS 24 7.658 24.066 0.723 14 1HB LYS 24 1HB LYS 24 9.084 24.371 2.760 15 2HB LYS 24 2HB LYS 24 7.736 23.849 3.771 16 1HG LYS 24 1HG LYS 24 9.299 22.061 3.530 17 2HG LYS 24 2HG LYS 24 7.821 21.601 2.708 18 1HD LYS 24 1HD LYS 24 8.805 21.451 0.671 19 2HD LYS 24 2HD LYS 24 9.794 22.908 0.917 20 1HE LYS 24 1HE LYS 24 11.261 21.614 2.484 21 2HE LYS 24 2HE LYS 24 10.332 20.154 2.130 22 1HZ LYS 24 1HZ LYS 24 11.862 21.714 0.127 23 2HZ LYS 24 2HZ LYS 24 12.353 20.307 0.838 24 3HZ LYS 24 3HZ LYS 24 11.083 20.288 -0.158 25 H VAL 25 H VAL 25 6.576 22.037 0.481 26 HA VAL 25 HA VAL 25 4.122 21.546 2.007 27 HB VAL 25 HB VAL 25 4.385 21.593 -1.027 28 1HG1 VAL 25 1HG1 VAL 25 2.821 19.818 -0.250 29 2HG1 VAL 25 2HG1 VAL 25 1.894 21.026 0.662 30 3HG1 VAL 25 3HG1 VAL 25 1.963 21.081 -1.108 31 1HG2 VAL 25 1HG2 VAL 25 2.714 23.422 0.742 32 2HG2 VAL 25 2HG2 VAL 25 4.099 23.900 -0.280 33 3HG2 VAL 25 3HG2 VAL 25 2.614 23.348 -1.030 34 HA PRO 26 HA PRO 26 6.163 17.494 1.448 35 1HB PRO 26 1HB PRO 26 4.015 15.807 1.903 36 2HB PRO 26 2HB PRO 26 4.945 16.615 3.192 37 1HG PRO 26 1HG PRO 26 2.305 17.472 2.022 38 2HG PRO 26 2HG PRO 26 2.823 17.430 3.736 39 1HD PRO 26 1HD PRO 26 2.843 19.709 2.253 40 2HD PRO 26 2HD PRO 26 4.077 19.395 3.505 41 HA PRO 27 HA PRO 27 4.518 17.364 -2.819 42 1HB PRO 27 1HB PRO 27 6.455 15.922 -4.046 43 2HB PRO 27 2HB PRO 27 6.688 17.636 -3.584 44 1HG PRO 27 1HG PRO 27 7.579 15.166 -2.066 45 2HG PRO 27 2HG PRO 27 8.541 16.628 -2.454 46 1HD PRO 27 1HD PRO 27 7.312 16.292 -0.034 47 2HD PRO 27 2HD PRO 27 7.454 17.902 -0.805 48 H HIS 28 H HIS 28 5.269 14.782 -0.641 49 HA HIS 28 HA HIS 28 4.654 12.678 -0.320 50 1HB HIS 28 1HB HIS 28 2.388 13.061 -2.301 51 2HB HIS 28 2HB HIS 28 2.555 11.786 -1.093 52 HD1 HIS 28 HD1 HIS 28 1.506 15.403 -1.408 53 HD2 HIS 28 HD2 HIS 28 2.156 12.450 1.499 54 HE1 HIS 28 HE1 HIS 28 0.599 16.354 0.783 55 H SER 29 H SER 29 3.998 10.566 -1.911 56 HA SER 29 HA SER 29 6.055 10.515 -4.045 57 1HB SER 29 1HB SER 29 6.601 8.236 -2.672 58 2HB SER 29 2HB SER 29 7.397 9.760 -2.386 59 HG SER 29 HG SER 29 5.073 8.997 -0.953 60 H ILE 30 H ILE 30 3.079 10.472 -4.121 61 HA ILE 30 HA ILE 30 1.758 8.176 -3.878 62 HB ILE 30 HB ILE 30 1.451 10.564 -5.576 63 1HG1 ILE 30 1HG1 ILE 30 -0.700 10.733 -4.579 64 2HG1 ILE 30 2HG1 ILE 30 -0.706 9.050 -4.063 65 1HG2 ILE 30 1HG2 ILE 30 -0.226 8.140 -6.330 66 2HG2 ILE 30 2HG2 ILE 30 -0.574 9.820 -6.771 67 3HG2 ILE 30 3HG2 ILE 30 0.879 9.048 -7.380 68 1HD1 ILE 30 1HD1 ILE 30 1.301 11.061 -3.020 69 2HD1 ILE 30 2HD1 ILE 30 -0.290 10.789 -2.283 70 3HD1 ILE 30 3HD1 ILE 30 0.887 9.467 -2.339 71 H GLU 31 H GLU 31 3.530 8.855 -6.942 72 HA GLU 31 HA GLU 31 2.692 6.274 -7.961 73 1HB GLU 31 1HB GLU 31 4.753 8.284 -8.895 74 2HB GLU 31 2HB GLU 31 4.443 6.741 -9.715 75 1HG GLU 31 1HG GLU 31 1.944 7.318 -9.693 76 2HG GLU 31 2HG GLU 31 2.362 8.876 -9.019 77 H ALA 32 H ALA 32 5.564 7.264 -6.216 78 HA ALA 32 HA ALA 32 6.906 4.705 -6.550 79 1HB ALA 32 1HB ALA 32 8.167 6.783 -5.944 80 2HB ALA 32 2HB ALA 32 7.314 6.822 -4.385 81 3HB ALA 32 3HB ALA 32 8.399 5.475 -4.759 82 H GLU 33 H GLU 33 4.741 6.154 -4.141 83 HA GLU 33 HA GLU 33 4.657 4.019 -2.255 84 1HB GLU 33 1HB GLU 33 2.580 6.077 -3.104 85 2HB GLU 33 2HB GLU 33 2.349 4.981 -1.760 86 1HG GLU 33 1HG GLU 33 4.144 5.986 -0.521 87 2HG GLU 33 2HG GLU 33 4.692 6.902 -1.932 88 H GLN 34 H GLN 34 2.674 4.714 -5.173 89 HA GLN 34 HA GLN 34 1.009 2.501 -4.988 90 1HB GLN 34 1HB GLN 34 1.955 4.076 -7.395 91 2HB GLN 34 2HB GLN 34 0.947 2.646 -7.566 92 1HG GLN 34 1HG GLN 34 -0.449 3.955 -5.649 93 2HG GLN 34 2HG GLN 34 0.231 5.344 -6.500 94 1HE2 GLN 34 2HE2 GLN 34 -2.565 4.699 -6.285 95 2HE2 GLN 34 1HE2 GLN 34 -3.174 4.283 -7.882 96 H SER 35 H SER 35 4.193 2.890 -6.687 97 HA SER 35 HA SER 35 4.317 0.279 -7.691 98 1HB SER 35 1HB SER 35 6.538 2.228 -7.012 99 2HB SER 35 2HB SER 35 6.759 0.733 -7.936 100 HG SER 35 HG SER 35 5.033 1.589 -9.349 101 H VAL 36 H VAL 36 5.474 1.559 -4.507 102 HA VAL 36 HA VAL 36 6.736 -0.886 -3.697 103 HB VAL 36 HB VAL 36 5.366 1.322 -2.071 104 1HG1 VAL 36 1HG1 VAL 36 6.995 -1.036 -1.050 105 2HG1 VAL 36 2HG1 VAL 36 6.571 0.394 -0.083 106 3HG1 VAL 36 3HG1 VAL 36 5.299 -0.679 -0.670 107 1HG2 VAL 36 1HG2 VAL 36 8.311 0.638 -2.469 108 2HG2 VAL 36 2HG2 VAL 36 7.444 1.999 -3.204 109 3HG2 VAL 36 3HG2 VAL 36 7.655 1.958 -1.465 110 H LEU 37 H LEU 37 3.388 0.273 -3.178 111 HA LEU 37 HA LEU 37 2.558 -2.073 -1.770 112 1HB LEU 37 1HB LEU 37 0.981 -0.004 -3.339 113 2HB LEU 37 2HB LEU 37 0.261 -1.188 -2.249 114 HG LEU 37 HG LEU 37 2.369 0.848 -1.358 115 1HD1 LEU 37 1HD1 LEU 37 0.388 2.018 -2.158 116 2HD1 LEU 37 2HD1 LEU 37 -0.635 1.009 -1.102 117 3HD1 LEU 37 3HD1 LEU 37 0.554 2.120 -0.394 118 1HD2 LEU 37 1HD2 LEU 37 0.553 -0.964 0.250 119 2HD2 LEU 37 2HD2 LEU 37 2.323 -0.992 0.179 120 3HD2 LEU 37 3HD2 LEU 37 1.498 0.380 0.915 121 H GLY 38 H GLY 38 2.196 -1.239 -5.273 122 1HA GLY 38 1HA GLY 38 1.024 -3.683 -6.097 123 2HA GLY 38 2HA GLY 38 2.062 -2.632 -7.072 124 H GLY 39 H GLY 39 4.467 -2.850 -5.369 125 1HA GLY 39 1HA GLY 39 5.655 -5.193 -6.466 126 2HA GLY 39 2HA GLY 39 6.332 -4.074 -5.289 127 H LEU 40 H LEU 40 4.085 -4.454 -3.381 128 HA LEU 40 HA LEU 40 5.032 -6.811 -1.953 129 1HB LEU 40 1HB LEU 40 2.683 -4.926 -1.464 130 2HB LEU 40 2HB LEU 40 3.203 -6.167 -0.360 131 HG LEU 40 HG LEU 40 4.885 -3.770 -1.167 132 1HD1 LEU 40 1HD1 LEU 40 2.863 -3.248 0.201 133 2HD1 LEU 40 2HD1 LEU 40 3.451 -4.359 1.436 134 3HD1 LEU 40 3HD1 LEU 40 4.378 -2.910 1.041 135 1HD2 LEU 40 1HD2 LEU 40 5.339 -6.185 0.558 136 2HD2 LEU 40 2HD2 LEU 40 6.410 -5.464 -0.655 137 3HD2 LEU 40 3HD2 LEU 40 6.176 -4.653 0.901 138 H MET 41 H MET 41 1.981 -5.899 -3.639 139 HA MET 41 HA MET 41 0.676 -8.453 -3.349 140 1HB MET 41 1HB MET 41 0.493 -6.329 -5.554 141 2HB MET 41 2HB MET 41 -0.545 -7.755 -5.446 142 1HG MET 41 1HG MET 41 -1.905 -6.707 -4.038 143 2HG MET 41 2HG MET 41 -0.603 -6.589 -2.886 144 1HE MET 41 1HE MET 41 -3.307 -4.811 -4.196 145 2HE MET 41 2HE MET 41 -2.800 -3.193 -4.692 146 3HE MET 41 3HE MET 41 -2.505 -4.573 -5.778 147 H LEU 42 H LEU 42 3.111 -7.248 -5.607 148 HA LEU 42 HA LEU 42 3.237 -9.526 -7.312 149 1HB LEU 42 1HB LEU 42 4.776 -7.089 -6.847 150 2HB LEU 42 2HB LEU 42 5.792 -8.429 -7.334 151 HG LEU 42 HG LEU 42 3.216 -7.920 -8.848 152 1HD1 LEU 42 1HD1 LEU 42 5.728 -6.252 -9.023 153 2HD1 LEU 42 2HD1 LEU 42 4.562 -6.406 -10.372 154 3HD1 LEU 42 3HD1 LEU 42 4.047 -5.747 -8.813 155 1HD2 LEU 42 1HD2 LEU 42 5.981 -8.957 -9.655 156 2HD2 LEU 42 2HD2 LEU 42 4.547 -9.948 -9.328 157 3HD2 LEU 42 3HD2 LEU 42 4.553 -8.849 -10.706 158 H ASP 43 H ASP 43 5.370 -8.632 -4.635 159 HA ASP 43 HA ASP 43 6.040 -11.524 -4.299 160 1HB ASP 43 1HB ASP 43 7.822 -10.473 -5.559 161 2HB ASP 43 2HB ASP 43 8.044 -9.270 -4.282 162 H ASN 44 H ASN 44 5.224 -12.148 -2.517 163 HA ASN 44 HA ASN 44 4.557 -10.659 -0.220 164 1HB ASN 44 1HB ASN 44 5.079 -13.590 -0.749 165 2HB ASN 44 2HB ASN 44 5.049 -13.052 0.918 166 1HD2 ASN 44 2HD2 ASN 44 2.963 -12.536 -2.057 167 2HD2 ASN 44 1HD2 ASN 44 1.557 -13.090 -1.209 168 H GLU 45 H GLU 45 7.718 -12.076 -1.142 169 HA GLU 45 HA GLU 45 8.792 -11.985 1.564 170 1HB GLU 45 1HB GLU 45 10.186 -12.095 -1.153 171 2HB GLU 45 2HB GLU 45 10.996 -12.250 0.415 172 1HG GLU 45 1HG GLU 45 9.493 -14.183 0.955 173 2HG GLU 45 2HG GLU 45 8.869 -14.124 -0.698 174 H ARG 46 H ARG 46 8.344 -9.499 -0.937 175 HA ARG 46 HA ARG 46 10.307 -7.764 0.311 176 1HB ARG 46 1HB ARG 46 8.113 -7.171 -1.716 177 2HB ARG 46 2HB ARG 46 9.474 -6.121 -1.273 178 1HG ARG 46 1HG ARG 46 9.758 -8.888 -2.519 179 2HG ARG 46 2HG ARG 46 9.839 -7.383 -3.384 180 1HD ARG 46 1HD ARG 46 11.793 -6.696 -1.929 181 2HD ARG 46 2HD ARG 46 11.710 -8.266 -1.118 182 HE ARG 46 HE ARG 46 11.961 -9.175 -3.543 183 1HH1 ARG 46 1HH1 ARG 46 13.872 -6.643 -1.858 184 2HH1 ARG 46 2HH1 ARG 46 15.202 -6.777 -2.948 185 1HH2 ARG 46 1HH2 ARG 46 13.758 -9.517 -4.721 186 2HH2 ARG 46 2HH2 ARG 46 15.228 -8.599 -4.501 187 H TRP 47 H TRP 47 7.165 -8.708 1.273 188 HA TRP 47 HA TRP 47 6.190 -6.331 2.474 189 1HB TRP 47 1HB TRP 47 4.927 -8.410 2.585 190 2HB TRP 47 2HB TRP 47 6.217 -9.183 3.510 191 HD1 TRP 47 HD1 TRP 47 6.318 -8.833 6.024 192 HE1 TRP 47 HE1 TRP 47 4.846 -7.648 7.748 193 HE3 TRP 47 HE3 TRP 47 3.541 -5.960 2.869 194 HZ2 TRP 47 HZ2 TRP 47 3.110 -5.321 7.785 195 HZ3 TRP 47 HZ3 TRP 47 2.118 -4.124 3.761 196 HH2 TRP 47 HH2 TRP 47 1.859 -3.835 6.215 197 H ASP 48 H ASP 48 8.576 -8.672 3.774 198 HA ASP 48 HA ASP 48 9.036 -7.190 6.166 199 1HB ASP 48 1HB ASP 48 10.701 -9.198 4.553 200 2HB ASP 48 2HB ASP 48 11.172 -8.589 6.115 201 H ASP 49 H ASP 49 10.331 -6.935 3.065 202 HA ASP 49 HA ASP 49 12.822 -5.546 3.661 203 1HB ASP 49 1HB ASP 49 11.994 -7.092 1.590 204 2HB ASP 49 2HB ASP 49 11.490 -5.558 0.905 205 H VAL 50 H VAL 50 9.665 -4.734 2.511 206 HA VAL 50 HA VAL 50 10.039 -1.851 2.267 207 HB VAL 50 HB VAL 50 7.825 -3.908 2.131 208 1HG1 VAL 50 1HG1 VAL 50 7.554 -0.885 1.788 209 2HG1 VAL 50 2HG1 VAL 50 6.332 -2.059 1.283 210 3HG1 VAL 50 3HG1 VAL 50 6.727 -1.907 2.997 211 1HG2 VAL 50 1HG2 VAL 50 9.380 -3.761 0.179 212 2HG2 VAL 50 2HG2 VAL 50 7.766 -3.215 -0.275 213 3HG2 VAL 50 3HG2 VAL 50 9.050 -2.026 0.033 214 H ALA 51 H ALA 51 8.417 -4.133 4.650 215 HA ALA 51 HA ALA 51 7.736 -2.115 6.500 216 1HB ALA 51 1HB ALA 51 6.782 -4.376 6.550 217 2HB ALA 51 2HB ALA 51 8.365 -5.050 6.977 218 3HB ALA 51 3HB ALA 51 7.518 -3.970 8.105 219 H GLU 52 H GLU 52 10.820 -3.522 5.758 220 HA GLU 52 HA GLU 52 12.211 -2.632 8.090 221 1HB GLU 52 1HB GLU 52 12.831 -3.971 5.507 222 2HB GLU 52 2HB GLU 52 14.133 -2.986 6.119 223 1HG GLU 52 1HG GLU 52 12.724 -4.852 8.011 224 2HG GLU 52 2HG GLU 52 13.867 -5.523 6.857 225 H ARG 53 H ARG 53 11.050 -1.006 5.330 226 HA ARG 53 HA ARG 53 13.057 1.199 5.556 227 1HB ARG 53 1HB ARG 53 11.899 -0.153 3.079 228 2HB ARG 53 2HB ARG 53 12.773 1.397 3.038 229 1HG ARG 53 1HG ARG 53 14.732 0.394 4.045 230 2HG ARG 53 2HG ARG 53 13.912 -1.133 4.282 231 1HD ARG 53 1HD ARG 53 13.820 -1.514 1.854 232 2HD ARG 53 2HD ARG 53 14.622 0.047 1.585 233 HE ARG 53 HE ARG 53 16.631 -0.905 2.093 234 1HH1 ARG 53 1HH1 ARG 53 14.152 -3.158 3.346 235 2HH1 ARG 53 2HH1 ARG 53 15.314 -4.159 4.154 236 1HH2 ARG 53 1HH2 ARG 53 18.096 -2.217 3.127 237 2HH2 ARG 53 2HH2 ARG 53 17.660 -3.720 3.882 238 H VAL 54 H VAL 54 9.639 0.339 5.491 239 HA VAL 54 HA VAL 54 9.039 3.089 6.177 240 HB VAL 54 HB VAL 54 7.047 2.786 4.601 241 1HG1 VAL 54 1HG1 VAL 54 8.915 4.458 4.247 242 2HG1 VAL 54 2HG1 VAL 54 9.631 3.297 3.105 243 3HG1 VAL 54 3HG1 VAL 54 8.019 3.958 2.801 244 1HG2 VAL 54 1HG2 VAL 54 7.401 0.474 3.889 245 2HG2 VAL 54 2HG2 VAL 54 7.285 1.595 2.517 246 3HG2 VAL 54 3HG2 VAL 54 8.864 0.967 3.012 247 H VAL 55 H VAL 55 6.748 3.087 7.045 248 HA VAL 55 HA VAL 55 5.546 0.424 7.513 249 HB VAL 55 HB VAL 55 4.908 1.082 9.807 250 1HG1 VAL 55 1HG1 VAL 55 6.857 -0.400 9.339 251 2HG1 VAL 55 2HG1 VAL 55 7.920 1.021 9.403 252 3HG1 VAL 55 3HG1 VAL 55 7.029 0.513 10.838 253 1HG2 VAL 55 1HG2 VAL 55 5.214 3.572 9.607 254 2HG2 VAL 55 2HG2 VAL 55 6.032 2.863 11.009 255 3HG2 VAL 55 3HG2 VAL 55 6.967 3.321 9.576 256 H ALA 56 H ALA 56 3.135 0.880 8.324 257 HA ALA 56 HA ALA 56 1.829 2.120 6.211 258 1HB ALA 56 1HB ALA 56 0.753 0.479 7.723 259 2HB ALA 56 2HB ALA 56 0.718 1.697 9.021 260 3HB ALA 56 3HB ALA 56 -0.227 1.940 7.537 261 H ASP 57 H ASP 57 3.140 3.714 9.019 262 HA ASP 57 HA ASP 57 1.483 6.135 8.652 263 1HB ASP 57 1HB ASP 57 3.361 5.124 10.779 264 2HB ASP 57 2HB ASP 57 3.141 6.860 10.608 265 H ASP 58 H ASP 58 4.487 4.963 7.306 266 HA ASP 58 HA ASP 58 5.708 7.584 6.906 267 1HB ASP 58 1HB ASP 58 6.022 4.842 5.616 268 2HB ASP 58 2HB ASP 58 6.717 6.275 4.907 269 H PHE 59 H PHE 59 3.359 5.433 5.405 270 HA PHE 59 HA PHE 59 2.765 7.178 3.128 271 1HB PHE 59 1HB PHE 59 1.359 4.744 4.305 272 2HB PHE 59 2HB PHE 59 0.848 5.584 2.856 273 HD1 PHE 59 HD1 PHE 59 3.671 3.610 4.329 274 HD2 PHE 59 HD2 PHE 59 1.715 4.916 0.719 275 HE1 PHE 59 HE1 PHE 59 5.023 2.021 3.036 276 HE2 PHE 59 HE2 PHE 59 3.003 3.210 -0.563 277 HZ PHE 59 HZ PHE 59 4.672 1.792 0.572 278 H TYR 60 H TYR 60 0.770 8.252 3.008 279 HA TYR 60 HA TYR 60 -0.701 8.990 5.495 280 1HB TYR 60 1HB TYR 60 0.793 10.708 5.046 281 2HB TYR 60 2HB TYR 60 0.790 10.471 3.328 282 HD1 TYR 60 HD1 TYR 60 -1.363 11.829 6.056 283 HD2 TYR 60 HD2 TYR 60 -0.482 11.763 1.827 284 HE1 TYR 60 HE1 TYR 60 -2.707 13.909 5.726 285 HE2 TYR 60 HE2 TYR 60 -1.755 13.830 1.516 286 HH TYR 60 HH TYR 60 -3.148 15.385 2.478 287 H THR 61 H THR 61 -0.639 8.568 1.984 288 HA THR 61 HA THR 61 -3.105 9.691 1.371 289 HB THR 61 HB THR 61 -1.468 7.857 -0.068 290 HG1 THR 61 HG1 THR 61 -0.152 9.495 0.334 291 1HG2 THR 61 1HG2 THR 61 -3.615 8.234 -1.223 292 2HG2 THR 61 2HG2 THR 61 -3.303 9.990 -1.142 293 3HG2 THR 61 3HG2 THR 61 -2.256 8.940 -2.116 294 H ARG 62 H ARG 62 -5.111 8.920 1.721 295 HA ARG 62 HA ARG 62 -5.506 6.770 3.415 296 1HB ARG 62 1HB ARG 62 -7.495 8.210 1.632 297 2HB ARG 62 2HB ARG 62 -7.949 6.928 2.766 298 1HG ARG 62 1HG ARG 62 -6.765 8.231 4.606 299 2HG ARG 62 2HG ARG 62 -6.624 9.585 3.461 300 1HD ARG 62 1HD ARG 62 -9.076 9.644 3.222 301 2HD ARG 62 2HD ARG 62 -9.222 8.216 4.271 302 HE ARG 62 HE ARG 62 -7.794 10.237 5.664 303 1HH1 ARG 62 1HH1 ARG 62 -11.065 9.595 4.457 304 2HH1 ARG 62 2HH1 ARG 62 -11.842 10.620 5.627 305 1HH2 ARG 62 1HH2 ARG 62 -8.828 11.291 7.392 306 2HH2 ARG 62 2HH2 ARG 62 -10.461 11.824 7.236 307 HA PRO 63 HA PRO 63 -6.792 3.713 0.050 308 1HB PRO 63 1HB PRO 63 -5.671 3.958 -2.468 309 2HB PRO 63 2HB PRO 63 -7.313 4.523 -2.034 310 1HG PRO 63 1HG PRO 63 -4.757 6.149 -2.148 311 2HG PRO 63 2HG PRO 63 -6.355 6.547 -2.836 312 1HD PRO 63 1HD PRO 63 -5.579 7.566 -0.459 313 2HD PRO 63 2HD PRO 63 -7.259 7.010 -0.668 314 H HIS 64 H HIS 64 -3.512 5.255 -0.744 315 HA HIS 64 HA HIS 64 -2.117 2.846 -0.902 316 1HB HIS 64 1HB HIS 64 -1.135 5.541 0.153 317 2HB HIS 64 2HB HIS 64 -0.115 4.237 -0.412 318 HD1 HIS 64 HD1 HIS 64 0.560 6.624 -1.936 319 HD2 HIS 64 HD2 HIS 64 -2.770 4.224 -2.951 320 HE1 HIS 64 HE1 HIS 64 0.158 6.862 -4.508 321 H ARG 65 H ARG 65 -2.818 4.694 2.049 322 HA ARG 65 HA ARG 65 -1.299 3.091 3.892 323 1HB ARG 65 1HB ARG 65 -3.636 5.036 4.028 324 2HB ARG 65 2HB ARG 65 -3.345 3.982 5.384 325 1HG ARG 65 1HG ARG 65 -0.783 4.860 4.943 326 2HG ARG 65 2HG ARG 65 -1.646 6.245 4.301 327 1HD ARG 65 1HD ARG 65 -2.087 5.054 7.074 328 2HD ARG 65 2HD ARG 65 -0.862 6.273 6.746 329 HE ARG 65 HE ARG 65 -3.040 7.547 5.805 330 1HH1 ARG 65 1HH1 ARG 65 -2.334 5.894 8.930 331 2HH1 ARG 65 2HH1 ARG 65 -3.321 7.026 9.816 332 1HH2 ARG 65 1HH2 ARG 65 -4.220 9.094 7.184 333 2HH2 ARG 65 2HH2 ARG 65 -4.343 8.709 8.887 334 H HIS 66 H HIS 66 -4.561 2.537 2.461 335 HA HIS 66 HA HIS 66 -5.629 0.906 4.378 336 1HB HIS 66 1HB HIS 66 -7.304 1.007 2.908 337 2HB HIS 66 2HB HIS 66 -6.466 2.299 2.153 338 HD1 HIS 66 HD1 HIS 66 -6.404 1.754 -0.552 339 HD2 HIS 66 HD2 HIS 66 -6.510 -1.360 2.097 340 HE1 HIS 66 HE1 HIS 66 -6.778 -0.305 -2.027 341 H ILE 67 H ILE 67 -4.114 0.282 1.297 342 HA ILE 67 HA ILE 67 -3.864 -2.463 1.366 343 HB ILE 67 HB ILE 67 -1.747 -0.619 0.162 344 1HG1 ILE 67 1HG1 ILE 67 -2.943 -1.808 -1.985 345 2HG1 ILE 67 2HG1 ILE 67 -4.299 -1.835 -0.876 346 1HG2 ILE 67 1HG2 ILE 67 -2.180 -3.623 -0.154 347 2HG2 ILE 67 2HG2 ILE 67 -1.078 -2.664 -1.157 348 3HG2 ILE 67 3HG2 ILE 67 -0.761 -2.835 0.561 349 1HD1 ILE 67 1HD1 ILE 67 -3.923 0.639 -0.549 350 2HD1 ILE 67 2HD1 ILE 67 -2.698 0.588 -1.813 351 3HD1 ILE 67 3HD1 ILE 67 -4.382 0.202 -2.204 352 H PHE 68 H PHE 68 -1.255 -0.271 2.575 353 HA PHE 68 HA PHE 68 0.337 -2.279 3.681 354 1HB PHE 68 1HB PHE 68 0.596 0.372 3.437 355 2HB PHE 68 2HB PHE 68 0.082 0.371 5.109 356 HD1 PHE 68 HD1 PHE 68 1.483 -1.415 6.677 357 HD2 PHE 68 HD2 PHE 68 2.850 0.231 2.924 358 HE1 PHE 68 HE1 PHE 68 3.820 -1.937 7.291 359 HE2 PHE 68 HE2 PHE 68 5.176 -0.285 3.562 360 HZ PHE 68 HZ PHE 68 5.676 -1.369 5.740 361 H THR 69 H THR 69 -2.519 -0.691 5.116 362 HA THR 69 HA THR 69 -2.201 -1.904 7.726 363 HB THR 69 HB THR 69 -4.743 -0.796 6.463 364 HG1 THR 69 HG1 THR 69 -3.078 0.745 6.346 365 1HG2 THR 69 1HG2 THR 69 -3.803 -1.003 9.361 366 2HG2 THR 69 2HG2 THR 69 -5.314 -0.255 8.791 367 3HG2 THR 69 3HG2 THR 69 -5.068 -1.995 8.611 368 H GLU 70 H GLU 70 -4.204 -2.886 4.833 369 HA GLU 70 HA GLU 70 -5.191 -5.092 6.463 370 1HB GLU 70 1HB GLU 70 -6.554 -3.921 4.692 371 2HB GLU 70 2HB GLU 70 -5.601 -4.767 3.489 372 1HG GLU 70 1HG GLU 70 -7.606 -6.044 3.851 373 2HG GLU 70 2HG GLU 70 -6.311 -6.969 4.567 374 H MET 71 H MET 71 -2.500 -4.632 4.205 375 HA MET 71 HA MET 71 -1.807 -7.417 3.939 376 1HB MET 71 1HB MET 71 -0.151 -4.862 3.906 377 2HB MET 71 2HB MET 71 0.538 -6.480 3.684 378 1HG MET 71 1HG MET 71 -0.917 -6.842 1.724 379 2HG MET 71 2HG MET 71 -1.554 -5.207 1.896 380 1HE MET 71 1HE MET 71 -0.986 -5.465 -0.627 381 2HE MET 71 2HE MET 71 0.541 -4.878 -1.294 382 3HE MET 71 3HE MET 71 0.372 -6.590 -0.836 383 H ALA 72 H ALA 72 -0.804 -4.846 6.298 384 HA ALA 72 HA ALA 72 0.670 -6.513 8.016 385 1HB ALA 72 1HB ALA 72 -1.025 -4.066 8.693 386 2HB ALA 72 2HB ALA 72 0.146 -4.834 9.770 387 3HB ALA 72 3HB ALA 72 0.703 -4.084 8.263 388 H ARG 73 H ARG 73 -2.856 -5.771 8.067 389 HA ARG 73 HA ARG 73 -3.468 -7.417 10.307 390 1HB ARG 73 1HB ARG 73 -5.117 -6.724 7.815 391 2HB ARG 73 2HB ARG 73 -5.801 -7.657 9.117 392 1HG ARG 73 1HG ARG 73 -4.539 -5.015 9.816 393 2HG ARG 73 2HG ARG 73 -6.098 -4.997 8.983 394 1HD ARG 73 1HD ARG 73 -7.224 -6.116 10.699 395 2HD ARG 73 2HD ARG 73 -5.736 -6.820 11.355 396 HE ARG 73 HE ARG 73 -5.400 -4.100 11.621 397 1HH1 ARG 73 1HH1 ARG 73 -7.599 -6.582 12.910 398 2HH1 ARG 73 2HH1 ARG 73 -7.456 -6.038 14.555 399 1HH2 ARG 73 1HH2 ARG 73 -5.494 -3.189 13.694 400 2HH2 ARG 73 2HH2 ARG 73 -6.261 -4.028 15.012 401 H LEU 74 H LEU 74 -3.428 -8.359 6.827 402 HA LEU 74 HA LEU 74 -4.272 -10.988 7.414 403 1HB LEU 74 1HB LEU 74 -2.872 -9.563 5.103 404 2HB LEU 74 2HB LEU 74 -3.046 -11.294 5.062 405 HG LEU 74 HG LEU 74 -5.418 -9.413 5.408 406 1HD1 LEU 74 1HD1 LEU 74 -4.298 -10.716 2.889 407 2HD1 LEU 74 2HD1 LEU 74 -5.859 -9.877 3.013 408 3HD1 LEU 74 3HD1 LEU 74 -4.347 -8.984 3.261 409 1HD2 LEU 74 1HD2 LEU 74 -5.248 -12.369 4.662 410 2HD2 LEU 74 2HD2 LEU 74 -5.896 -11.709 6.181 411 3HD2 LEU 74 3HD2 LEU 74 -6.727 -11.398 4.662 412 H GLN 75 H GLN 75 -0.974 -9.646 6.863 413 HA GLN 75 HA GLN 75 0.340 -12.097 7.297 414 1HB GLN 75 1HB GLN 75 1.310 -9.748 6.562 415 2HB GLN 75 2HB GLN 75 1.309 -9.339 8.255 416 1HG GLN 75 1HG GLN 75 2.676 -11.585 8.553 417 2HG GLN 75 2HG GLN 75 2.980 -11.434 6.822 418 1HE2 GLN 75 2HE2 GLN 75 5.239 -11.316 7.375 419 2HE2 GLN 75 1HE2 GLN 75 5.915 -9.883 8.142 420 H GLU 76 H GLU 76 -0.607 -9.554 9.645 421 HA GLU 76 HA GLU 76 0.530 -10.919 11.844 422 1HB GLU 76 1HB GLU 76 -0.108 -8.533 11.888 423 2HB GLU 76 2HB GLU 76 -1.829 -8.991 11.913 424 1HG GLU 76 1HG GLU 76 -1.549 -10.101 14.056 425 2HG GLU 76 2HG GLU 76 0.211 -9.983 13.946 426 H SER 77 H SER 77 -2.640 -11.340 10.257 427 HA SER 77 HA SER 77 -3.456 -13.243 12.324 428 1HB SER 77 1HB SER 77 -5.449 -13.490 11.025 429 2HB SER 77 2HB SER 77 -5.044 -11.778 11.184 430 HG SER 77 HG SER 77 -3.904 -12.298 9.004 431 H GLY 78 H GLY 78 -1.168 -13.524 9.841 432 1HA GLY 78 1HA GLY 78 0.081 -15.471 9.536 433 2HA GLY 78 2HA GLY 78 -1.281 -16.467 10.034 434 H SER 79 H SER 79 -1.846 -13.900 7.632 435 HA SER 79 HA SER 79 -2.505 -16.058 5.683 436 1HB SER 79 1HB SER 79 -3.812 -13.356 6.150 437 2HB SER 79 2HB SER 79 -4.357 -14.601 5.013 438 HG SER 79 HG SER 79 -4.721 -15.974 6.812 439 HA PRO 80 HA PRO 80 0.308 -14.144 2.896 440 1HB PRO 80 1HB PRO 80 -1.048 -14.359 0.437 441 2HB PRO 80 2HB PRO 80 -0.045 -15.606 1.187 442 1HG PRO 80 1HG PRO 80 -3.035 -15.305 1.171 443 2HG PRO 80 2HG PRO 80 -2.073 -16.809 1.146 444 1HD PRO 80 1HD PRO 80 -3.343 -15.842 3.382 445 2HD PRO 80 2HD PRO 80 -1.826 -16.783 3.476 446 H ILE 81 H ILE 81 0.719 -12.233 1.672 447 HA ILE 81 HA ILE 81 -1.395 -10.168 1.938 448 HB ILE 81 HB ILE 81 0.349 -8.575 1.657 449 1HG1 ILE 81 1HG1 ILE 81 2.654 -10.483 1.753 450 2HG1 ILE 81 2HG1 ILE 81 1.823 -10.350 0.198 451 1HG2 ILE 81 1HG2 ILE 81 -0.036 -9.471 3.943 452 2HG2 ILE 81 2HG2 ILE 81 1.277 -10.638 3.707 453 3HG2 ILE 81 3HG2 ILE 81 1.625 -8.906 3.716 454 1HD1 ILE 81 1HD1 ILE 81 2.820 -7.949 1.761 455 2HD1 ILE 81 2HD1 ILE 81 3.679 -8.715 0.404 456 3HD1 ILE 81 3HD1 ILE 81 2.090 -7.974 0.141 457 H ASP 82 H ASP 82 -1.408 -12.353 -0.085 458 HA ASP 82 HA ASP 82 -0.868 -11.341 -2.680 459 1HB ASP 82 1HB ASP 82 -1.851 -13.727 -1.684 460 2HB ASP 82 2HB ASP 82 -3.330 -13.034 -2.303 461 H LEU 83 H LEU 83 -2.476 -10.800 -4.320 462 HA LEU 83 HA LEU 83 -3.929 -8.390 -3.787 463 1HB LEU 83 1HB LEU 83 -2.883 -9.389 -5.977 464 2HB LEU 83 2HB LEU 83 -4.349 -10.319 -6.123 465 HG LEU 83 HG LEU 83 -4.574 -8.515 -7.560 466 1HD1 LEU 83 1HD1 LEU 83 -6.641 -8.806 -6.215 467 2HD1 LEU 83 2HD1 LEU 83 -6.133 -7.437 -5.202 468 3HD1 LEU 83 3HD1 LEU 83 -6.430 -7.203 -6.935 469 1HD2 LEU 83 1HD2 LEU 83 -2.717 -7.182 -6.508 470 2HD2 LEU 83 2HD2 LEU 83 -4.107 -6.216 -7.033 471 3HD2 LEU 83 3HD2 LEU 83 -3.887 -6.604 -5.309 472 H ILE 84 H ILE 84 -5.145 -11.751 -4.592 473 HA ILE 84 HA ILE 84 -7.799 -10.984 -4.374 474 HB ILE 84 HB ILE 84 -6.673 -13.750 -3.938 475 1HG1 ILE 84 1HG1 ILE 84 -5.276 -12.979 -5.746 476 2HG1 ILE 84 2HG1 ILE 84 -6.391 -14.171 -6.269 477 1HG2 ILE 84 1HG2 ILE 84 -9.130 -12.636 -5.378 478 2HG2 ILE 84 2HG2 ILE 84 -8.675 -14.367 -5.353 479 3HG2 ILE 84 3HG2 ILE 84 -9.113 -13.523 -3.860 480 1HD1 ILE 84 1HD1 ILE 84 -7.814 -12.430 -7.353 481 2HD1 ILE 84 2HD1 ILE 84 -6.674 -11.186 -6.776 482 3HD1 ILE 84 3HD1 ILE 84 -6.143 -12.406 -7.944 483 H THR 85 H THR 85 -5.511 -12.384 -2.017 484 HA THR 85 HA THR 85 -7.322 -12.891 0.028 485 HB THR 85 HB THR 85 -4.509 -11.911 0.573 486 HG1 THR 85 HG1 THR 85 -3.702 -13.740 -0.082 487 1HG2 THR 85 1HG2 THR 85 -6.028 -12.550 2.474 488 2HG2 THR 85 2HG2 THR 85 -6.201 -14.165 1.775 489 3HG2 THR 85 3HG2 THR 85 -4.618 -13.616 2.357 490 H LEU 86 H LEU 86 -5.337 -10.061 -0.557 491 HA LEU 86 HA LEU 86 -6.248 -8.383 1.510 492 1HB LEU 86 1HB LEU 86 -4.322 -8.076 -0.106 493 2HB LEU 86 2HB LEU 86 -5.474 -7.456 -1.274 494 HG LEU 86 HG LEU 86 -6.142 -5.855 0.811 495 1HD1 LEU 86 1HD1 LEU 86 -3.248 -6.652 1.299 496 2HD1 LEU 86 2HD1 LEU 86 -3.999 -5.203 1.983 497 3HD1 LEU 86 3HD1 LEU 86 -4.609 -6.813 2.425 498 1HD2 LEU 86 1HD2 LEU 86 -5.401 -5.107 -1.402 499 2HD2 LEU 86 2HD2 LEU 86 -4.671 -4.144 -0.115 500 3HD2 LEU 86 3HD2 LEU 86 -3.707 -5.389 -0.953 501 H ALA 87 H ALA 87 -7.458 -8.538 -1.857 502 HA ALA 87 HA ALA 87 -9.442 -6.547 -1.639 503 1HB ALA 87 1HB ALA 87 -8.739 -7.640 -3.776 504 2HB ALA 87 2HB ALA 87 -9.581 -9.119 -3.281 505 3HB ALA 87 3HB ALA 87 -10.504 -7.627 -3.546 506 H GLU 88 H GLU 88 -9.859 -10.062 -1.278 507 HA GLU 88 HA GLU 88 -12.561 -9.907 -0.345 508 1HB GLU 88 1HB GLU 88 -10.410 -12.012 -0.439 509 2HB GLU 88 2HB GLU 88 -11.792 -12.290 0.593 510 1HG GLU 88 1HG GLU 88 -12.352 -13.342 -1.383 511 2HG GLU 88 2HG GLU 88 -13.372 -11.928 -1.254 512 H SER 89 H SER 89 -9.508 -9.594 1.383 513 HA SER 89 HA SER 89 -10.667 -9.865 4.001 514 1HB SER 89 1HB SER 89 -8.170 -9.983 3.230 515 2HB SER 89 2HB SER 89 -8.181 -8.231 3.454 516 HG SER 89 HG SER 89 -8.432 -8.541 5.577 517 H LEU 90 H LEU 90 -10.000 -7.123 1.837 518 HA LEU 90 HA LEU 90 -10.738 -5.046 3.642 519 1HB LEU 90 1HB LEU 90 -10.595 -5.238 0.615 520 2HB LEU 90 2HB LEU 90 -11.039 -3.746 1.421 521 HG LEU 90 HG LEU 90 -8.471 -5.181 2.127 522 1HD1 LEU 90 1HD1 LEU 90 -8.450 -4.892 -0.269 523 2HD1 LEU 90 2HD1 LEU 90 -8.853 -3.164 -0.102 524 3HD1 LEU 90 3HD1 LEU 90 -7.303 -3.806 0.500 525 1HD2 LEU 90 1HD2 LEU 90 -9.260 -3.385 3.660 526 2HD2 LEU 90 2HD2 LEU 90 -7.748 -2.985 2.855 527 3HD2 LEU 90 3HD2 LEU 90 -9.262 -2.244 2.288 528 H GLU 91 H GLU 91 -12.661 -6.858 1.194 529 HA GLU 91 HA GLU 91 -15.013 -5.271 1.708 530 1HB GLU 91 1HB GLU 91 -16.239 -6.844 0.406 531 2HB GLU 91 2HB GLU 91 -14.674 -6.582 -0.345 532 1HG GLU 91 1HG GLU 91 -14.679 -8.841 -0.503 533 2HG GLU 91 2HG GLU 91 -14.018 -8.735 1.112 534 H ARG 92 H ARG 92 -13.770 -8.220 3.382 535 HA ARG 92 HA ARG 92 -16.031 -8.355 5.130 536 1HB ARG 92 1HB ARG 92 -13.128 -9.184 5.590 537 2HB ARG 92 2HB ARG 92 -14.422 -9.424 6.764 538 1HG ARG 92 1HG ARG 92 -15.699 -10.728 5.062 539 2HG ARG 92 2HG ARG 92 -14.318 -10.611 3.962 540 1HD ARG 92 1HD ARG 92 -12.885 -11.795 5.554 541 2HD ARG 92 2HD ARG 92 -14.179 -11.798 6.768 542 HE ARG 92 HE ARG 92 -15.326 -13.001 4.602 543 1HH1 ARG 92 1HH1 ARG 92 -12.354 -13.760 6.459 544 2HH1 ARG 92 2HH1 ARG 92 -12.586 -15.472 6.358 545 1HH2 ARG 92 1HH2 ARG 92 -15.647 -15.236 4.570 546 2HH2 ARG 92 2HH2 ARG 92 -14.404 -16.336 5.089 547 H GLN 93 H GLN 93 -13.162 -6.265 5.142 548 HA GLN 93 HA GLN 93 -13.850 -4.999 7.689 549 1HB GLN 93 1HB GLN 93 -12.146 -3.904 5.415 550 2HB GLN 93 2HB GLN 93 -12.219 -3.285 7.052 551 1HG GLN 93 1HG GLN 93 -11.268 -6.105 6.503 552 2HG GLN 93 2HG GLN 93 -10.213 -4.716 6.329 553 1HE2 GLN 93 2HE2 GLN 93 -8.846 -5.450 8.028 554 2HE2 GLN 93 1HE2 GLN 93 -9.315 -5.262 9.721 555 H GLY 94 H GLY 94 -15.329 -4.859 4.535 556 1HA GLY 94 1HA GLY 94 -16.837 -3.460 3.603 557 2HA GLY 94 2HA GLY 94 -17.043 -2.649 5.158 558 H GLN 95 H GLN 95 -13.810 -2.875 3.817 559 HA GLN 95 HA GLN 95 -13.774 0.092 3.460 560 1HB GLN 95 1HB GLN 95 -11.556 -1.961 3.842 561 2HB GLN 95 2HB GLN 95 -11.277 -0.251 3.495 562 1HG GLN 95 1HG GLN 95 -12.484 0.397 5.552 563 2HG GLN 95 2HG GLN 95 -12.730 -1.296 5.960 564 1HE2 GLN 95 2HE2 GLN 95 -10.350 -2.567 5.636 565 2HE2 GLN 95 1HE2 GLN 95 -9.082 -1.808 6.560 566 H LEU 96 H LEU 96 -13.774 -2.859 1.586 567 HA LEU 96 HA LEU 96 -11.861 -2.223 -0.353 568 1HB LEU 96 1HB LEU 96 -12.829 -4.454 -0.116 569 2HB LEU 96 2HB LEU 96 -14.362 -3.871 -0.772 570 HG LEU 96 HG LEU 96 -13.257 -3.343 -2.926 571 1HD1 LEU 96 1HD1 LEU 96 -10.714 -4.417 -1.618 572 2HD1 LEU 96 2HD1 LEU 96 -10.918 -4.149 -3.357 573 3HD1 LEU 96 3HD1 LEU 96 -10.960 -2.775 -2.264 574 1HD2 LEU 96 1HD2 LEU 96 -12.669 -6.132 -1.895 575 2HD2 LEU 96 2HD2 LEU 96 -14.186 -5.556 -2.608 576 3HD2 LEU 96 3HD2 LEU 96 -12.716 -5.645 -3.599 577 H ASP 97 H ASP 97 -15.381 -1.424 -0.374 578 HA ASP 97 HA ASP 97 -15.283 -0.111 -2.942 579 1HB ASP 97 1HB ASP 97 -17.420 -0.740 -1.958 580 2HB ASP 97 2HB ASP 97 -17.141 0.337 -0.572 581 H SER 98 H SER 98 -14.945 1.133 0.425 582 HA SER 98 HA SER 98 -14.857 3.824 -0.143 583 1HB SER 98 1HB SER 98 -13.252 2.456 2.051 584 2HB SER 98 2HB SER 98 -13.960 4.078 2.067 585 HG SER 98 HG SER 98 -15.474 3.039 3.081 586 H VAL 99 H VAL 99 -12.202 1.471 -0.418 587 HA VAL 99 HA VAL 99 -10.148 3.541 -0.685 588 HB VAL 99 HB VAL 99 -8.664 1.685 -0.986 589 1HG1 VAL 99 1HG1 VAL 99 -10.581 1.563 1.388 590 2HG1 VAL 99 2HG1 VAL 99 -9.159 0.539 1.295 591 3HG1 VAL 99 3HG1 VAL 99 -8.975 2.302 1.278 592 1HG2 VAL 99 1HG2 VAL 99 -10.159 0.065 -2.171 593 2HG2 VAL 99 2HG2 VAL 99 -9.334 -0.657 -0.784 594 3HG2 VAL 99 3HG2 VAL 99 -11.007 -0.185 -0.629 595 H GLY 100 H GLY 100 -12.370 2.258 -2.878 596 1HA GLY 100 1HA GLY 100 -12.268 3.273 -5.154 597 2HA GLY 100 2HA GLY 100 -10.565 2.835 -5.217 598 H GLY 101 H GLY 101 -12.270 0.275 -3.678 599 1HA GLY 101 1HA GLY 101 -13.262 -1.634 -4.388 600 2HA GLY 101 2HA GLY 101 -13.401 -0.976 -6.009 601 H PHE 102 H PHE 102 -12.862 -3.525 -6.036 602 HA PHE 102 HA PHE 102 -10.240 -4.454 -5.708 603 1HB PHE 102 1HB PHE 102 -12.364 -5.742 -6.169 604 2HB PHE 102 2HB PHE 102 -12.202 -5.317 -7.867 605 HD1 PHE 102 HD1 PHE 102 -9.702 -6.007 -8.878 606 HD2 PHE 102 HD2 PHE 102 -11.695 -7.845 -5.509 607 HE1 PHE 102 HE1 PHE 102 -8.177 -7.911 -9.008 608 HE2 PHE 102 HE2 PHE 102 -10.194 -9.786 -5.685 609 HZ PHE 102 HZ PHE 102 -8.357 -9.796 -7.403 610 H ALA 103 H ALA 103 -11.655 -2.592 -8.431 611 HA ALA 103 HA ALA 103 -9.637 -3.055 -10.332 612 1HB ALA 103 1HB ALA 103 -11.372 -0.605 -9.863 613 2HB ALA 103 2HB ALA 103 -10.347 -0.857 -11.290 614 3HB ALA 103 3HB ALA 103 -11.684 -1.969 -10.970 615 H TYR 104 H TYR 104 -9.665 -0.667 -7.619 616 HA TYR 104 HA TYR 104 -7.276 0.659 -8.430 617 1HB TYR 104 1HB TYR 104 -9.064 1.363 -6.723 618 2HB TYR 104 2HB TYR 104 -8.286 0.287 -5.578 619 HD1 TYR 104 HD1 TYR 104 -5.719 0.745 -5.087 620 HD2 TYR 104 HD2 TYR 104 -8.372 3.588 -6.965 621 HE1 TYR 104 HE1 TYR 104 -4.193 2.598 -4.458 622 HE2 TYR 104 HE2 TYR 104 -6.883 5.429 -6.287 623 HH TYR 104 HH TYR 104 -4.792 5.997 -5.371 624 H LEU 105 H LEU 105 -7.840 -2.326 -6.589 625 HA LEU 105 HA LEU 105 -5.064 -2.626 -5.728 626 1HB LEU 105 1HB LEU 105 -7.244 -4.742 -6.016 627 2HB LEU 105 2HB LEU 105 -5.703 -4.939 -5.198 628 HG LEU 105 HG LEU 105 -7.904 -3.002 -4.347 629 1HD1 LEU 105 1HD1 LEU 105 -8.519 -5.344 -4.037 630 2HD1 LEU 105 2HD1 LEU 105 -7.006 -5.658 -3.156 631 3HD1 LEU 105 3HD1 LEU 105 -8.230 -4.550 -2.489 632 1HD2 LEU 105 1HD2 LEU 105 -5.171 -3.648 -3.162 633 2HD2 LEU 105 2HD2 LEU 105 -5.811 -2.061 -3.639 634 3HD2 LEU 105 3HD2 LEU 105 -6.483 -2.901 -2.236 635 H ALA 106 H ALA 106 -7.086 -3.965 -8.367 636 HA ALA 106 HA ALA 106 -5.031 -5.514 -9.530 637 1HB ALA 106 1HB ALA 106 -7.417 -5.771 -10.098 638 2HB ALA 106 2HB ALA 106 -7.409 -4.179 -10.899 639 3HB ALA 106 3HB ALA 106 -6.435 -5.515 -11.552 640 H GLU 107 H GLU 107 -5.884 -2.085 -9.867 641 HA GLU 107 HA GLU 107 -4.098 -1.378 -11.958 642 1HB GLU 107 1HB GLU 107 -5.974 -0.023 -11.256 643 2HB GLU 107 2HB GLU 107 -5.245 0.288 -9.686 644 1HG GLU 107 1HG GLU 107 -3.676 1.766 -10.527 645 2HG GLU 107 2HG GLU 107 -3.623 0.984 -12.115 646 H LEU 108 H LEU 108 -3.675 -1.170 -8.385 647 HA LEU 108 HA LEU 108 -0.974 -0.333 -8.403 648 1HB LEU 108 1HB LEU 108 -2.547 -2.087 -6.509 649 2HB LEU 108 2HB LEU 108 -0.881 -1.631 -6.165 650 HG LEU 108 HG LEU 108 -3.101 0.413 -6.629 651 1HD1 LEU 108 1HD1 LEU 108 -2.025 -0.763 -4.030 652 2HD1 LEU 108 2HD1 LEU 108 -3.117 0.634 -4.166 653 3HD1 LEU 108 3HD1 LEU 108 -3.669 -0.962 -4.686 654 1HD2 LEU 108 1HD2 LEU 108 -0.330 0.613 -5.383 655 2HD2 LEU 108 2HD2 LEU 108 -0.842 1.299 -6.940 656 3HD2 LEU 108 3HD2 LEU 108 -1.543 1.917 -5.438 657 H SER 109 H SER 109 -2.289 -3.637 -8.556 658 HA SER 109 HA SER 109 0.152 -5.060 -8.513 659 1HB SER 109 1HB SER 109 -1.941 -6.151 -8.207 660 2HB SER 109 2HB SER 109 -2.548 -5.649 -9.780 661 HG SER 109 HG SER 109 -1.461 -7.916 -9.252 662 H LYS 110 H LYS 110 -1.156 -3.032 -11.046 663 HA LYS 110 HA LYS 110 0.665 -4.168 -13.115 664 1HB LYS 110 1HB LYS 110 -1.946 -2.653 -13.171 665 2HB LYS 110 2HB LYS 110 -0.781 -2.274 -14.411 666 1HG LYS 110 1HG LYS 110 -1.914 -3.829 -15.511 667 2HG LYS 110 2HG LYS 110 -0.651 -4.844 -14.852 668 1HD LYS 110 1HD LYS 110 -3.492 -4.536 -13.761 669 2HD LYS 110 2HD LYS 110 -2.949 -5.827 -14.812 670 1HE LYS 110 1HE LYS 110 -1.965 -5.334 -11.981 671 2HE LYS 110 2HE LYS 110 -3.144 -6.540 -12.469 672 1HZ LYS 110 1HZ LYS 110 -0.330 -6.517 -13.392 673 2HZ LYS 110 2HZ LYS 110 -0.967 -7.518 -12.242 674 3HZ LYS 110 3HZ LYS 110 -1.490 -7.624 -13.782 675 H ASN 111 H ASN 111 0.846 -1.818 -10.719 676 HA ASN 111 HA ASN 111 2.206 0.103 -12.526 677 1HB ASN 111 1HB ASN 111 0.881 0.506 -9.826 678 2HB ASN 111 2HB ASN 111 1.816 1.745 -10.674 679 1HD2 ASN 111 2HD2 ASN 111 -0.778 2.524 -10.135 680 2HD2 ASN 111 1HD2 ASN 111 -1.703 2.376 -11.614 681 H THR 112 H THR 112 3.380 -2.358 -11.432 682 HA THR 112 HA THR 112 5.842 -1.087 -10.408 683 HB THR 112 HB THR 112 4.935 -3.701 -9.192 684 HG1 THR 112 HG1 THR 112 4.635 -1.873 -7.410 685 1HG2 THR 112 1HG2 THR 112 7.325 -2.948 -9.076 686 2HG2 THR 112 2HG2 THR 112 6.814 -1.494 -8.228 687 3HG2 THR 112 3HG2 THR 112 6.577 -3.092 -7.488 688 HA PRO 113 HA PRO 113 7.244 -3.963 -13.599 689 1HB PRO 113 1HB PRO 113 9.832 -3.173 -13.839 690 2HB PRO 113 2HB PRO 113 8.479 -2.111 -14.315 691 1HG PRO 113 1HG PRO 113 9.984 -2.103 -11.671 692 2HG PRO 113 2HG PRO 113 9.667 -0.716 -12.765 693 1HD PRO 113 1HD PRO 113 8.066 -1.279 -10.633 694 2HD PRO 113 2HD PRO 113 7.400 -0.634 -12.162 695 H SER 114 H SER 114 6.739 -5.463 -11.556 696 HA SER 114 HA SER 114 7.281 -7.187 -10.179 697 1HB SER 114 1HB SER 114 10.021 -7.291 -11.456 698 2HB SER 114 2HB SER 114 9.190 -8.575 -10.580 699 HG SER 114 HG SER 114 9.161 -8.561 -12.983 700 H ALA 115 H ALA 115 9.327 -7.824 -8.497 701 HA ALA 115 HA ALA 115 9.615 -5.631 -6.714 702 1HB ALA 115 1HB ALA 115 9.594 -7.983 -6.010 703 2HB ALA 115 2HB ALA 115 11.124 -8.276 -6.871 704 3HB ALA 115 3HB ALA 115 11.078 -7.187 -5.468 705 H ALA 116 H ALA 116 10.938 -5.369 -9.593 706 HA ALA 116 HA ALA 116 13.752 -5.067 -9.264 707 1HB ALA 116 1HB ALA 116 12.616 -5.182 -11.483 708 2HB ALA 116 2HB ALA 116 11.863 -3.605 -11.157 709 3HB ALA 116 3HB ALA 116 13.623 -3.731 -11.303 710 H ASN 117 H ASN 117 14.656 -3.739 -7.896 711 HA ASN 117 HA ASN 117 15.043 -2.085 -6.401 712 1HB ASN 117 1HB ASN 117 14.066 -0.454 -8.774 713 2HB ASN 117 2HB ASN 117 14.920 0.213 -7.389 714 1HD2 ASN 117 2HD2 ASN 117 15.433 -1.119 -10.456 715 2HD2 ASN 117 1HD2 ASN 117 17.071 -1.697 -10.222 716 H ILE 118 H ILE 118 12.353 -3.279 -5.994 717 HA ILE 118 HA ILE 118 10.468 -1.359 -5.185 718 HB ILE 118 HB ILE 118 10.391 -3.900 -5.156 719 1HG1 ILE 118 1HG1 ILE 118 9.138 -2.190 -2.960 720 2HG1 ILE 118 2HG1 ILE 118 8.527 -2.435 -4.598 721 1HG2 ILE 118 1HG2 ILE 118 12.256 -4.364 -3.621 722 2HG2 ILE 118 2HG2 ILE 118 11.286 -3.696 -2.280 723 3HG2 ILE 118 3HG2 ILE 118 10.742 -5.126 -3.170 724 1HD1 ILE 118 1HD1 ILE 118 8.223 -4.891 -4.027 725 2HD1 ILE 118 2HD1 ILE 118 8.604 -4.450 -2.341 726 3HD1 ILE 118 3HD1 ILE 118 7.194 -3.754 -3.121 727 H SER 119 H SER 119 13.278 -2.505 -3.586 728 HA SER 119 HA SER 119 13.203 -1.027 -1.201 729 1HB SER 119 1HB SER 119 15.757 -1.600 -2.753 730 2HB SER 119 2HB SER 119 15.559 -1.471 -0.993 731 HG SER 119 HG SER 119 14.805 -3.541 -2.770 732 H ALA 120 H ALA 120 14.050 0.141 -4.386 733 HA ALA 120 HA ALA 120 15.139 2.708 -3.424 734 1HB ALA 120 1HB ALA 120 15.949 1.611 -5.585 735 2HB ALA 120 2HB ALA 120 14.355 2.030 -6.275 736 3HB ALA 120 3HB ALA 120 15.434 3.304 -5.704 737 H TYR 121 H TYR 121 12.069 1.389 -4.872 738 HA TYR 121 HA TYR 121 10.796 3.940 -5.001 739 1HB TYR 121 1HB TYR 121 9.684 1.116 -4.687 740 2HB TYR 121 2HB TYR 121 8.709 2.551 -4.871 741 HD1 TYR 121 HD1 TYR 121 8.760 3.913 -6.961 742 HD2 TYR 121 HD2 TYR 121 10.552 0.015 -6.703 743 HE1 TYR 121 HE1 TYR 121 8.502 3.626 -9.413 744 HE2 TYR 121 HE2 TYR 121 10.373 -0.258 -9.121 745 HH TYR 121 HH TYR 121 8.792 2.181 -11.224 746 H ALA 122 H ALA 122 10.966 1.443 -2.392 747 HA ALA 122 HA ALA 122 9.443 2.871 -0.450 748 1HB ALA 122 1HB ALA 122 10.051 0.479 -0.241 749 2HB ALA 122 2HB ALA 122 11.760 0.931 -0.034 750 3HB ALA 122 3HB ALA 122 10.561 1.409 1.184 751 H ASP 123 H ASP 123 12.894 3.161 -1.314 752 HA ASP 123 HA ASP 123 13.732 4.813 0.828 753 1HB ASP 123 1HB ASP 123 15.102 3.674 -1.011 754 2HB ASP 123 2HB ASP 123 14.665 5.007 -2.060 755 H ILE 124 H ILE 124 12.171 5.589 -2.265 756 HA ILE 124 HA ILE 124 12.129 8.454 -1.907 757 HB ILE 124 HB ILE 124 10.023 6.830 -3.380 758 1HG1 ILE 124 1HG1 ILE 124 12.561 8.117 -4.477 759 2HG1 ILE 124 2HG1 ILE 124 12.344 6.397 -4.236 760 1HG2 ILE 124 1HG2 ILE 124 9.434 9.229 -2.797 761 2HG2 ILE 124 2HG2 ILE 124 10.830 9.755 -3.735 762 3HG2 ILE 124 3HG2 ILE 124 9.480 8.916 -4.521 763 1HD1 ILE 124 1HD1 ILE 124 10.499 6.350 -5.860 764 2HD1 ILE 124 2HD1 ILE 124 10.751 8.089 -6.187 765 3HD1 ILE 124 3HD1 ILE 124 12.023 6.920 -6.548 766 H VAL 125 H VAL 125 9.663 5.936 -1.072 767 HA VAL 125 HA VAL 125 7.801 7.739 0.013 768 HB VAL 125 HB VAL 125 8.255 4.849 0.831 769 1HG1 VAL 125 1HG1 VAL 125 5.784 6.640 1.030 770 2HG1 VAL 125 2HG1 VAL 125 5.809 4.898 1.381 771 3HG1 VAL 125 3HG1 VAL 125 6.725 6.011 2.392 772 1HG2 VAL 125 1HG2 VAL 125 6.650 6.049 -1.444 773 2HG2 VAL 125 2HG2 VAL 125 7.936 4.850 -1.542 774 3HG2 VAL 125 3HG2 VAL 125 6.400 4.394 -0.832 775 H ARG 126 H ARG 126 10.425 5.979 1.735 776 HA ARG 126 HA ARG 126 9.929 7.075 4.318 777 1HB ARG 126 1HB ARG 126 11.556 5.204 3.778 778 2HB ARG 126 2HB ARG 126 12.637 6.403 3.089 779 1HG ARG 126 1HG ARG 126 13.541 6.245 5.187 780 2HG ARG 126 2HG ARG 126 12.448 7.578 5.462 781 1HD ARG 126 1HD ARG 126 11.605 6.432 7.202 782 2HD ARG 126 2HD ARG 126 10.877 5.311 6.056 783 HE ARG 126 HE ARG 126 13.655 4.709 6.531 784 1HH1 ARG 126 1HH1 ARG 126 10.491 4.273 8.154 785 2HH1 ARG 126 2HH1 ARG 126 10.892 2.659 8.671 786 1HH2 ARG 126 1HH2 ARG 126 14.207 2.673 7.491 787 2HH2 ARG 126 2HH2 ARG 126 13.191 2.084 8.746 788 H GLU 127 H GLU 127 12.175 8.321 1.734 789 HA GLU 127 HA GLU 127 13.018 10.541 3.269 790 1HB GLU 127 1HB GLU 127 13.802 9.405 0.997 791 2HB GLU 127 2HB GLU 127 12.885 10.690 0.259 792 1HG GLU 127 1HG GLU 127 14.272 12.346 1.593 793 2HG GLU 127 2HG GLU 127 15.154 10.985 2.280 794 H ARG 128 H ARG 128 10.295 10.128 1.133 795 HA ARG 128 HA ARG 128 9.446 12.952 1.229 796 1HB ARG 128 1HB ARG 128 8.278 10.419 0.086 797 2HB ARG 128 2HB ARG 128 7.251 11.821 0.300 798 1HG ARG 128 1HG ARG 128 8.227 11.629 -1.987 799 2HG ARG 128 2HG ARG 128 8.479 13.160 -1.218 800 1HD ARG 128 1HD ARG 128 10.630 11.018 -1.378 801 2HD ARG 128 2HD ARG 128 10.385 12.273 -2.592 802 HE ARG 128 HE ARG 128 10.578 13.426 0.008 803 1HH1 ARG 128 1HH1 ARG 128 12.787 11.801 -2.329 804 2HH1 ARG 128 2HH1 ARG 128 14.142 12.559 -1.614 805 1HH2 ARG 128 1HH2 ARG 128 12.533 14.334 0.874 806 2HH2 ARG 128 2HH2 ARG 128 13.986 14.189 -0.014 807 H ALA 129 H ALA 129 8.615 10.060 3.176 808 HA ALA 129 HA ALA 129 6.674 11.434 4.780 809 1HB ALA 129 1HB ALA 129 7.053 8.942 4.814 810 2HB ALA 129 2HB ALA 129 8.585 9.220 5.655 811 3HB ALA 129 3HB ALA 129 7.065 9.694 6.422 812 H VAL 130 H VAL 130 10.238 11.058 5.015 813 HA VAL 130 HA VAL 130 10.618 12.597 7.332 814 HB VAL 130 HB VAL 130 12.395 11.896 4.987 815 1HG1 VAL 130 1HG1 VAL 130 13.214 13.341 7.530 816 2HG1 VAL 130 2HG1 VAL 130 14.337 12.519 6.416 817 3HG1 VAL 130 3HG1 VAL 130 13.410 13.898 5.849 818 1HG2 VAL 130 1HG2 VAL 130 11.608 10.064 6.539 819 2HG2 VAL 130 2HG2 VAL 130 13.356 10.299 6.563 820 3HG2 VAL 130 3HG2 VAL 130 12.346 10.940 7.882 821 H VAL 131 H VAL 131 10.488 13.713 3.922 822 HA VAL 131 HA VAL 131 10.876 16.492 4.594 823 HB VAL 131 HB VAL 131 9.587 15.118 2.221 824 1HG1 VAL 131 1HG1 VAL 131 9.927 18.118 2.638 825 2HG1 VAL 131 2HG1 VAL 131 9.595 17.342 1.069 826 3HG1 VAL 131 3HG1 VAL 131 8.399 17.257 2.368 827 1HG2 VAL 131 1HG2 VAL 131 12.069 15.045 2.500 828 2HG2 VAL 131 2HG2 VAL 131 11.599 16.043 1.092 829 3HG2 VAL 131 3HG2 VAL 131 12.103 16.801 2.608 830 H ARG 132 H ARG 132 7.950 14.435 4.498 831 HA ARG 132 HA ARG 132 6.155 16.584 5.012 832 1HB ARG 132 1HB ARG 132 5.558 14.469 3.906 833 2HB ARG 132 2HB ARG 132 5.889 13.581 5.377 834 1HG ARG 132 1HG ARG 132 3.934 15.829 5.682 835 2HG ARG 132 2HG ARG 132 3.456 14.585 4.563 836 1HD ARG 132 1HD ARG 132 4.285 14.124 7.469 837 2HD ARG 132 2HD ARG 132 2.623 14.119 6.845 838 HE ARG 132 HE ARG 132 4.103 12.249 5.343 839 1HH1 ARG 132 1HH1 ARG 132 2.680 12.629 8.558 840 2HH1 ARG 132 2HH1 ARG 132 2.508 10.915 8.818 841 1HH2 ARG 132 1HH2 ARG 132 3.979 9.971 5.724 842 2HH2 ARG 132 2HH2 ARG 132 3.360 9.379 7.205 843 H GLU 133 H GLU 133 7.892 14.485 7.212 844 HA GLU 133 HA GLU 133 6.400 15.460 9.507 845 1HB GLU 133 1HB GLU 133 7.706 14.143 10.883 846 2HB GLU 133 2HB GLU 133 7.578 13.249 9.369 847 1HG GLU 133 1HG GLU 133 9.864 14.044 8.769 848 2HG GLU 133 2HG GLU 133 9.994 14.836 10.337 849 H MET 134 H MET 134 9.455 16.399 7.958 850 HA MET 134 HA MET 134 10.136 18.227 10.053 851 1HB MET 134 1HB MET 134 12.034 18.836 8.764 852 2HB MET 134 2HB MET 134 11.778 17.111 8.527 853 1HG MET 134 1HG MET 134 10.763 17.548 6.359 854 2HG MET 134 2HG MET 134 10.848 19.287 6.597 855 1HE MET 134 1HE MET 134 12.740 16.027 5.709 856 2HE MET 134 2HE MET 134 14.433 16.522 5.681 857 3HE MET 134 3HE MET 134 13.572 16.426 7.230 858 H ILE 135 H ILE 135 7.583 18.706 8.122 859 HA ILE 135 HA ILE 135 8.008 21.319 7.046 860 HB ILE 135 HB ILE 135 5.389 20.008 7.840 861 1HG1 ILE 135 1HG1 ILE 135 6.689 18.600 6.264 862 2HG1 ILE 135 2HG1 ILE 135 5.143 19.126 5.646 863 1HG2 ILE 135 1HG2 ILE 135 5.946 22.355 5.991 864 2HG2 ILE 135 2HG2 ILE 135 4.436 21.418 5.934 865 3HG2 ILE 135 3HG2 ILE 135 4.870 22.289 7.402 866 1HD1 ILE 135 1HD1 ILE 135 7.837 20.335 4.897 867 2HD1 ILE 135 2HD1 ILE 135 6.914 19.168 3.933 868 3HD1 ILE 135 3HD1 ILE 135 6.252 20.785 4.204 869 H SER 136 H SER 136 7.550 20.362 10.394 870 HA SER 136 HA SER 136 6.350 22.812 11.315 871 1HB SER 136 1HB SER 136 7.162 21.707 13.527 872 2HB SER 136 2HB SER 136 5.839 20.979 12.614 873 HG SER 136 HG SER 136 7.565 19.506 13.347 Start of MODEL 12 1 1H MET 23 1H MET 23 3.028 25.006 -1.746 2 2H MET 23 2H MET 23 2.829 26.460 -2.503 3 3H MET 23 3H MET 23 2.740 26.348 -0.848 4 HA MET 23 HA MET 23 0.792 25.022 -0.972 5 1HB MET 23 1HB MET 23 0.819 27.585 -0.908 6 2HB MET 23 2HB MET 23 0.435 27.545 -2.627 7 1HG MET 23 1HG MET 23 -1.642 26.255 -2.079 8 2HG MET 23 2HG MET 23 -1.203 26.351 -0.365 9 1HE MET 23 1HE MET 23 -4.009 27.211 -1.146 10 2HE MET 23 2HE MET 23 -3.331 27.439 0.485 11 3HE MET 23 3HE MET 23 -4.172 28.779 -0.323 12 H LYS 24 H LYS 24 2.040 23.387 -2.605 13 HA LYS 24 HA LYS 24 0.506 23.260 -5.124 14 1HB LYS 24 1HB LYS 24 3.090 24.131 -5.214 15 2HB LYS 24 2HB LYS 24 3.395 22.399 -5.077 16 1HG LYS 24 1HG LYS 24 1.583 22.285 -7.056 17 2HG LYS 24 2HG LYS 24 2.025 23.981 -7.262 18 1HD LYS 24 1HD LYS 24 4.444 23.245 -7.406 19 2HD LYS 24 2HD LYS 24 3.868 21.557 -7.357 20 1HE LYS 24 1HE LYS 24 2.550 21.951 -9.414 21 2HE LYS 24 2HE LYS 24 3.111 23.630 -9.461 22 1HZ LYS 24 1HZ LYS 24 4.847 21.247 -9.701 23 2HZ LYS 24 2HZ LYS 24 4.381 22.205 -10.933 24 3HZ LYS 24 3HZ LYS 24 5.359 22.820 -9.770 25 H VAL 25 H VAL 25 1.227 20.755 -5.959 26 HA VAL 25 HA VAL 25 0.118 19.093 -3.998 27 HB VAL 25 HB VAL 25 0.335 18.867 -6.566 28 1HG1 VAL 25 1HG1 VAL 25 2.806 18.720 -6.701 29 2HG1 VAL 25 2HG1 VAL 25 2.746 17.179 -5.806 30 3HG1 VAL 25 3HG1 VAL 25 1.988 17.309 -7.402 31 1HG2 VAL 25 1HG2 VAL 25 -0.918 17.326 -5.090 32 2HG2 VAL 25 2HG2 VAL 25 -0.165 16.501 -6.462 33 3HG2 VAL 25 3HG2 VAL 25 0.579 16.388 -4.857 34 HA PRO 26 HA PRO 26 3.690 18.849 -1.387 35 1HB PRO 26 1HB PRO 26 3.038 16.744 0.284 36 2HB PRO 26 2HB PRO 26 2.310 18.376 0.371 37 1HG PRO 26 1HG PRO 26 1.229 15.893 -0.915 38 2HG PRO 26 2HG PRO 26 0.348 17.091 0.071 39 1HD PRO 26 1HD PRO 26 0.278 17.055 -2.676 40 2HD PRO 26 2HD PRO 26 0.138 18.563 -1.738 41 HA PRO 27 HA PRO 27 6.423 16.202 -3.379 42 1HB PRO 27 1HB PRO 27 8.446 15.668 -1.625 43 2HB PRO 27 2HB PRO 27 8.026 17.311 -2.159 44 1HG PRO 27 1HG PRO 27 7.094 15.908 0.371 45 2HG PRO 27 2HG PRO 27 7.876 17.519 0.229 46 1HD PRO 27 1HD PRO 27 5.197 17.285 0.358 47 2HD PRO 27 2HD PRO 27 5.952 18.486 -0.731 48 H HIS 28 H HIS 28 4.234 14.577 -1.731 49 HA HIS 28 HA HIS 28 5.476 12.065 -1.095 50 1HB HIS 28 1HB HIS 28 3.130 11.268 -0.965 51 2HB HIS 28 2HB HIS 28 3.490 12.667 0.031 52 HD1 HIS 28 HD1 HIS 28 2.812 13.834 -3.448 53 HD2 HIS 28 HD2 HIS 28 0.673 12.691 -0.023 54 HE1 HIS 28 HE1 HIS 28 0.418 14.607 -3.812 55 H SER 29 H SER 29 6.040 10.425 -2.387 56 HA SER 29 HA SER 29 5.714 10.642 -5.281 57 1HB SER 29 1HB SER 29 7.116 8.480 -3.689 58 2HB SER 29 2HB SER 29 7.332 8.908 -5.401 59 HG SER 29 HG SER 29 8.067 10.249 -3.054 60 H ILE 30 H ILE 30 3.318 10.482 -4.873 61 HA ILE 30 HA ILE 30 1.936 8.292 -3.924 62 HB ILE 30 HB ILE 30 1.340 10.181 -6.249 63 1HG1 ILE 30 1HG1 ILE 30 1.519 11.485 -4.304 64 2HG1 ILE 30 2HG1 ILE 30 -0.204 11.258 -4.534 65 1HG2 ILE 30 1HG2 ILE 30 -0.151 8.185 -6.444 66 2HG2 ILE 30 2HG2 ILE 30 -0.837 8.614 -4.852 67 3HG2 ILE 30 3HG2 ILE 30 -0.969 9.724 -6.215 68 1HD1 ILE 30 1HD1 ILE 30 0.119 9.235 -2.856 69 2HD1 ILE 30 2HD1 ILE 30 1.595 10.102 -2.415 70 3HD1 ILE 30 3HD1 ILE 30 0.016 10.895 -2.247 71 H GLU 31 H GLU 31 3.145 8.592 -7.355 72 HA GLU 31 HA GLU 31 2.110 5.948 -7.900 73 1HB GLU 31 1HB GLU 31 3.970 7.788 -9.388 74 2HB GLU 31 2HB GLU 31 3.671 6.118 -9.905 75 1HG GLU 31 1HG GLU 31 1.177 6.565 -9.736 76 2HG GLU 31 2HG GLU 31 1.535 8.254 -9.400 77 H ALA 32 H ALA 32 5.226 6.968 -6.639 78 HA ALA 32 HA ALA 32 6.441 4.355 -6.859 79 1HB ALA 32 1HB ALA 32 7.768 6.412 -6.340 80 2HB ALA 32 2HB ALA 32 7.017 6.442 -4.721 81 3HB ALA 32 3HB ALA 32 8.040 5.083 -5.197 82 H GLU 33 H GLU 33 4.465 5.938 -4.316 83 HA GLU 33 HA GLU 33 4.333 3.810 -2.446 84 1HB GLU 33 1HB GLU 33 2.372 6.001 -3.207 85 2HB GLU 33 2HB GLU 33 2.025 4.854 -1.961 86 1HG GLU 33 1HG GLU 33 3.880 5.683 -0.612 87 2HG GLU 33 2HG GLU 33 4.437 6.697 -1.946 88 H GLN 34 H GLN 34 2.278 4.505 -5.312 89 HA GLN 34 HA GLN 34 0.504 2.308 -5.083 90 1HB GLN 34 1HB GLN 34 1.549 3.662 -7.613 91 2HB GLN 34 2HB GLN 34 0.313 2.423 -7.587 92 1HG GLN 34 1HG GLN 34 -1.112 3.888 -6.160 93 2HG GLN 34 2HG GLN 34 0.111 5.132 -6.241 94 1HE2 GLN 34 2HE2 GLN 34 -1.172 6.693 -7.334 95 2HE2 GLN 34 1HE2 GLN 34 -1.591 6.491 -9.025 96 H SER 35 H SER 35 3.609 2.548 -6.926 97 HA SER 35 HA SER 35 3.562 -0.163 -7.750 98 1HB SER 35 1HB SER 35 5.786 1.904 -7.589 99 2HB SER 35 2HB SER 35 5.905 0.362 -8.437 100 HG SER 35 HG SER 35 3.933 1.090 -9.618 101 H VAL 36 H VAL 36 4.927 1.273 -4.751 102 HA VAL 36 HA VAL 36 6.416 -1.110 -4.046 103 HB VAL 36 HB VAL 36 5.271 1.159 -2.365 104 1HG1 VAL 36 1HG1 VAL 36 6.964 -1.218 -1.463 105 2HG1 VAL 36 2HG1 VAL 36 6.738 0.262 -0.516 106 3HG1 VAL 36 3HG1 VAL 36 5.355 -0.770 -0.863 107 1HG2 VAL 36 1HG2 VAL 36 7.240 1.617 -3.878 108 2HG2 VAL 36 2HG2 VAL 36 7.584 1.855 -2.158 109 3HG2 VAL 36 3HG2 VAL 36 8.154 0.389 -2.988 110 H LEU 37 H LEU 37 3.164 0.088 -3.036 111 HA LEU 37 HA LEU 37 2.557 -2.337 -1.595 112 1HB LEU 37 1HB LEU 37 0.955 -0.009 -2.664 113 2HB LEU 37 2HB LEU 37 0.175 -1.337 -1.812 114 HG LEU 37 HG LEU 37 2.515 0.233 -0.637 115 1HD1 LEU 37 1HD1 LEU 37 -0.450 0.860 -0.471 116 2HD1 LEU 37 2HD1 LEU 37 0.780 1.576 0.588 117 3HD1 LEU 37 3HD1 LEU 37 0.841 1.880 -1.156 118 1HD2 LEU 37 1HD2 LEU 37 1.835 -1.952 0.474 119 2HD2 LEU 37 2HD2 LEU 37 1.775 -0.504 1.501 120 3HD2 LEU 37 3HD2 LEU 37 0.282 -1.187 0.846 121 H GLY 38 H GLY 38 2.067 -1.380 -4.939 122 1HA GLY 38 1HA GLY 38 0.552 -3.687 -5.785 123 2HA GLY 38 2HA GLY 38 1.509 -2.608 -6.806 124 H GLY 39 H GLY 39 4.043 -2.877 -5.704 125 1HA GLY 39 1HA GLY 39 5.253 -5.168 -6.703 126 2HA GLY 39 2HA GLY 39 5.891 -4.105 -5.447 127 H LEU 40 H LEU 40 4.057 -4.549 -3.378 128 HA LEU 40 HA LEU 40 4.995 -7.015 -2.305 129 1HB LEU 40 1HB LEU 40 2.824 -5.079 -1.478 130 2HB LEU 40 2HB LEU 40 3.178 -6.530 -0.548 131 HG LEU 40 HG LEU 40 5.278 -4.417 -1.214 132 1HD1 LEU 40 1HD1 LEU 40 3.587 -4.810 1.287 133 2HD1 LEU 40 2HD1 LEU 40 4.998 -3.742 1.169 134 3HD1 LEU 40 3HD1 LEU 40 3.569 -3.422 0.179 135 1HD2 LEU 40 1HD2 LEU 40 5.267 -6.729 0.776 136 2HD2 LEU 40 2HD2 LEU 40 6.276 -6.604 -0.675 137 3HD2 LEU 40 3HD2 LEU 40 6.525 -5.472 0.649 138 H MET 41 H MET 41 2.035 -6.319 -4.087 139 HA MET 41 HA MET 41 0.745 -8.854 -3.613 140 1HB MET 41 1HB MET 41 0.566 -7.216 -6.162 141 2HB MET 41 2HB MET 41 -0.613 -8.348 -5.536 142 1HG MET 41 1HG MET 41 -1.331 -6.847 -3.830 143 2HG MET 41 2HG MET 41 0.077 -5.803 -4.041 144 1HE MET 41 1HE MET 41 -1.284 -3.602 -4.173 145 2HE MET 41 2HE MET 41 -2.660 -3.346 -5.276 146 3HE MET 41 3HE MET 41 -2.801 -4.501 -3.931 147 H LEU 42 H LEU 42 3.517 -7.854 -5.479 148 HA LEU 42 HA LEU 42 3.466 -10.178 -7.310 149 1HB LEU 42 1HB LEU 42 3.671 -7.588 -7.837 150 2HB LEU 42 2HB LEU 42 5.373 -7.859 -7.514 151 HG LEU 42 HG LEU 42 3.823 -9.616 -9.479 152 1HD1 LEU 42 1HD1 LEU 42 5.050 -6.892 -9.972 153 2HD1 LEU 42 2HD1 LEU 42 4.530 -8.003 -11.254 154 3HD1 LEU 42 3HD1 LEU 42 3.343 -7.337 -10.122 155 1HD2 LEU 42 1HD2 LEU 42 6.762 -8.820 -9.217 156 2HD2 LEU 42 2HD2 LEU 42 6.042 -10.460 -9.144 157 3HD2 LEU 42 3HD2 LEU 42 6.088 -9.601 -10.663 158 H ASP 43 H ASP 43 4.994 -9.106 -4.368 159 HA ASP 43 HA ASP 43 6.626 -11.499 -4.208 160 1HB ASP 43 1HB ASP 43 8.162 -10.153 -5.479 161 2HB ASP 43 2HB ASP 43 8.032 -8.825 -4.353 162 H ASN 44 H ASN 44 5.645 -12.046 -2.437 163 HA ASN 44 HA ASN 44 4.635 -10.226 -0.439 164 1HB ASN 44 1HB ASN 44 5.051 -13.253 -0.393 165 2HB ASN 44 2HB ASN 44 4.365 -12.342 0.939 166 1HD2 ASN 44 2HD2 ASN 44 3.661 -12.239 -2.666 167 2HD2 ASN 44 1HD2 ASN 44 2.024 -12.765 -2.415 168 H GLU 45 H GLU 45 7.776 -11.926 -0.805 169 HA GLU 45 HA GLU 45 8.582 -11.845 1.951 170 1HB GLU 45 1HB GLU 45 9.353 -12.940 -0.612 171 2HB GLU 45 2HB GLU 45 10.671 -11.881 -0.178 172 1HG GLU 45 1HG GLU 45 9.715 -13.685 1.994 173 2HG GLU 45 2HG GLU 45 10.286 -14.505 0.544 174 H ARG 46 H ARG 46 8.615 -9.484 -0.591 175 HA ARG 46 HA ARG 46 10.608 -7.815 0.755 176 1HB ARG 46 1HB ARG 46 8.444 -7.196 -1.244 177 2HB ARG 46 2HB ARG 46 9.648 -6.015 -0.768 178 1HG ARG 46 1HG ARG 46 10.422 -8.693 -2.015 179 2HG ARG 46 2HG ARG 46 10.000 -7.299 -2.978 180 1HD ARG 46 1HD ARG 46 12.128 -6.668 -2.889 181 2HD ARG 46 2HD ARG 46 11.866 -6.237 -1.189 182 HE ARG 46 HE ARG 46 12.541 -9.038 -1.821 183 1HH1 ARG 46 1HH1 ARG 46 13.940 -5.858 -1.010 184 2HH1 ARG 46 2HH1 ARG 46 15.376 -6.523 -0.330 185 1HH2 ARG 46 1HH2 ARG 46 14.454 -9.896 -0.962 186 2HH2 ARG 46 2HH2 ARG 46 15.707 -8.877 -0.345 187 H TRP 47 H TRP 47 7.453 -8.733 1.743 188 HA TRP 47 HA TRP 47 6.366 -6.394 2.844 189 1HB TRP 47 1HB TRP 47 5.186 -8.518 3.099 190 2HB TRP 47 2HB TRP 47 6.507 -9.191 4.066 191 HD1 TRP 47 HD1 TRP 47 6.605 -8.555 6.613 192 HE1 TRP 47 HE1 TRP 47 5.425 -6.883 8.149 193 HE3 TRP 47 HE3 TRP 47 3.615 -6.296 3.154 194 HZ2 TRP 47 HZ2 TRP 47 3.529 -4.715 7.873 195 HZ3 TRP 47 HZ3 TRP 47 2.232 -4.343 3.784 196 HH2 TRP 47 HH2 TRP 47 2.190 -3.532 6.114 197 H ASP 48 H ASP 48 8.860 -8.568 4.247 198 HA ASP 48 HA ASP 48 9.239 -6.868 6.611 199 1HB ASP 48 1HB ASP 48 10.552 -9.234 5.279 200 2HB ASP 48 2HB ASP 48 11.641 -8.224 6.189 201 H ASP 49 H ASP 49 10.272 -6.468 3.420 202 HA ASP 49 HA ASP 49 12.750 -5.043 4.198 203 1HB ASP 49 1HB ASP 49 12.294 -6.532 2.012 204 2HB ASP 49 2HB ASP 49 11.726 -4.986 1.362 205 H VAL 50 H VAL 50 9.629 -4.421 2.657 206 HA VAL 50 HA VAL 50 9.781 -1.552 2.592 207 HB VAL 50 HB VAL 50 7.566 -3.628 2.464 208 1HG1 VAL 50 1HG1 VAL 50 7.473 -0.620 1.752 209 2HG1 VAL 50 2HG1 VAL 50 6.156 -1.776 1.460 210 3HG1 VAL 50 3HG1 VAL 50 6.616 -1.366 3.110 211 1HG2 VAL 50 1HG2 VAL 50 9.159 -3.728 0.564 212 2HG2 VAL 50 2HG2 VAL 50 7.584 -3.149 0.032 213 3HG2 VAL 50 3HG2 VAL 50 8.922 -1.999 0.254 214 H ALA 51 H ALA 51 8.233 -3.894 4.946 215 HA ALA 51 HA ALA 51 7.443 -1.871 6.752 216 1HB ALA 51 1HB ALA 51 6.570 -4.209 6.746 217 2HB ALA 51 2HB ALA 51 8.140 -4.785 7.349 218 3HB ALA 51 3HB ALA 51 7.139 -3.704 8.346 219 H GLU 52 H GLU 52 10.634 -3.036 6.149 220 HA GLU 52 HA GLU 52 11.591 -1.729 8.522 221 1HB GLU 52 1HB GLU 52 13.025 -3.592 6.640 222 2HB GLU 52 2HB GLU 52 13.872 -2.567 7.798 223 1HG GLU 52 1HG GLU 52 12.312 -3.479 9.590 224 2HG GLU 52 2HG GLU 52 11.970 -4.807 8.489 225 H ARG 53 H ARG 53 10.670 -0.636 5.653 226 HA ARG 53 HA ARG 53 12.673 1.609 5.682 227 1HB ARG 53 1HB ARG 53 10.989 0.400 3.465 228 2HB ARG 53 2HB ARG 53 11.220 2.134 3.490 229 1HG ARG 53 1HG ARG 53 12.811 1.396 2.018 230 2HG ARG 53 2HG ARG 53 13.713 1.796 3.470 231 1HD ARG 53 1HD ARG 53 12.860 -1.027 2.658 232 2HD ARG 53 2HD ARG 53 14.431 -0.305 2.279 233 HE ARG 53 HE ARG 53 13.794 -0.141 5.089 234 1HH1 ARG 53 1HH1 ARG 53 14.694 -2.753 2.799 235 2HH1 ARG 53 2HH1 ARG 53 15.816 -3.447 3.905 236 1HH2 ARG 53 1HH2 ARG 53 15.113 -1.220 6.568 237 2HH2 ARG 53 2HH2 ARG 53 16.003 -2.608 6.093 238 H VAL 54 H VAL 54 9.191 0.722 5.775 239 HA VAL 54 HA VAL 54 8.616 3.516 6.687 240 HB VAL 54 HB VAL 54 6.650 3.270 5.064 241 1HG1 VAL 54 1HG1 VAL 54 8.546 4.806 4.670 242 2HG1 VAL 54 2HG1 VAL 54 9.388 3.522 3.776 243 3HG1 VAL 54 3HG1 VAL 54 7.849 4.163 3.175 244 1HG2 VAL 54 1HG2 VAL 54 7.019 0.815 4.594 245 2HG2 VAL 54 2HG2 VAL 54 6.736 1.846 3.197 246 3HG2 VAL 54 3HG2 VAL 54 8.379 1.298 3.562 247 H VAL 55 H VAL 55 6.265 3.752 7.208 248 HA VAL 55 HA VAL 55 5.034 1.326 8.415 249 HB VAL 55 HB VAL 55 4.058 2.706 10.142 250 1HG1 VAL 55 1HG1 VAL 55 6.245 1.660 10.604 251 2HG1 VAL 55 2HG1 VAL 55 7.063 3.161 10.101 252 3HG1 VAL 55 3HG1 VAL 55 5.997 3.162 11.513 253 1HG2 VAL 55 1HG2 VAL 55 3.975 4.920 8.965 254 2HG2 VAL 55 2HG2 VAL 55 4.658 5.021 10.588 255 3HG2 VAL 55 3HG2 VAL 55 5.724 5.063 9.176 256 H ALA 56 H ALA 56 2.509 1.783 8.552 257 HA ALA 56 HA ALA 56 1.518 2.290 5.984 258 1HB ALA 56 1HB ALA 56 0.254 1.122 7.836 259 2HB ALA 56 2HB ALA 56 0.009 2.692 8.614 260 3HB ALA 56 3HB ALA 56 -0.693 2.368 7.019 261 H ASP 57 H ASP 57 1.669 4.523 8.778 262 HA ASP 57 HA ASP 57 0.081 6.492 7.618 263 1HB ASP 57 1HB ASP 57 0.987 6.155 10.041 264 2HB ASP 57 2HB ASP 57 2.288 7.230 9.554 265 H ASP 58 H ASP 58 3.398 5.925 6.967 266 HA ASP 58 HA ASP 58 4.364 8.422 5.988 267 1HB ASP 58 1HB ASP 58 4.975 5.554 5.185 268 2HB ASP 58 2HB ASP 58 5.866 6.970 4.667 269 H PHE 59 H PHE 59 2.334 5.860 4.564 270 HA PHE 59 HA PHE 59 2.254 6.965 1.864 271 1HB PHE 59 1HB PHE 59 0.597 4.784 3.201 272 2HB PHE 59 2HB PHE 59 0.585 5.217 1.512 273 HD1 PHE 59 HD1 PHE 59 2.914 3.959 4.196 274 HD2 PHE 59 HD2 PHE 59 1.991 4.067 0.005 275 HE1 PHE 59 HE1 PHE 59 4.578 2.230 3.807 276 HE2 PHE 59 HE2 PHE 59 3.662 2.286 -0.415 277 HZ PHE 59 HZ PHE 59 4.901 1.278 1.504 278 H TYR 60 H TYR 60 1.133 8.783 1.563 279 HA TYR 60 HA TYR 60 -0.478 9.869 3.680 280 1HB TYR 60 1HB TYR 60 0.902 11.277 2.264 281 2HB TYR 60 2HB TYR 60 0.023 10.759 0.822 282 HD1 TYR 60 HD1 TYR 60 -0.521 12.428 4.152 283 HD2 TYR 60 HD2 TYR 60 -1.811 12.076 0.046 284 HE1 TYR 60 HE1 TYR 60 -2.233 14.158 4.545 285 HE2 TYR 60 HE2 TYR 60 -3.518 13.805 0.431 286 HH TYR 60 HH TYR 60 -4.803 14.719 2.205 287 H THR 61 H THR 61 -1.395 8.306 0.579 288 HA THR 61 HA THR 61 -4.021 9.500 0.600 289 HB THR 61 HB THR 61 -4.376 8.473 -1.436 290 HG1 THR 61 HG1 THR 61 -2.670 6.604 -1.848 291 1HG2 THR 61 1HG2 THR 61 -2.250 9.862 -1.486 292 2HG2 THR 61 2HG2 THR 61 -1.339 8.346 -1.393 293 3HG2 THR 61 3HG2 THR 61 -2.403 8.655 -2.782 294 H ARG 62 H ARG 62 -6.101 8.349 0.851 295 HA ARG 62 HA ARG 62 -6.101 6.445 2.980 296 1HB ARG 62 1HB ARG 62 -8.196 7.527 1.138 297 2HB ARG 62 2HB ARG 62 -8.501 5.927 1.808 298 1HG ARG 62 1HG ARG 62 -7.991 6.792 4.102 299 2HG ARG 62 2HG ARG 62 -7.850 8.422 3.425 300 1HD ARG 62 1HD ARG 62 -10.184 8.316 2.657 301 2HD ARG 62 2HD ARG 62 -10.351 6.663 3.257 302 HE ARG 62 HE ARG 62 -10.503 9.147 4.692 303 1HH1 ARG 62 1HH1 ARG 62 -9.795 5.653 5.221 304 2HH1 ARG 62 2HH1 ARG 62 -9.907 5.826 6.936 305 1HH2 ARG 62 1HH2 ARG 62 -10.765 9.228 6.958 306 2HH2 ARG 62 2HH2 ARG 62 -10.550 7.769 7.880 307 HA PRO 63 HA PRO 63 -6.766 2.968 -0.146 308 1HB PRO 63 1HB PRO 63 -5.463 3.249 -2.658 309 2HB PRO 63 2HB PRO 63 -7.213 3.302 -2.350 310 1HG PRO 63 1HG PRO 63 -5.288 5.577 -2.632 311 2HG PRO 63 2HG PRO 63 -6.990 5.473 -3.179 312 1HD PRO 63 1HD PRO 63 -6.303 6.866 -0.973 313 2HD PRO 63 2HD PRO 63 -7.816 5.917 -1.010 314 H HIS 64 H HIS 64 -3.699 4.840 -0.619 315 HA HIS 64 HA HIS 64 -2.100 2.476 -0.708 316 1HB HIS 64 1HB HIS 64 -1.313 5.282 0.156 317 2HB HIS 64 2HB HIS 64 -0.222 3.983 -0.312 318 HD1 HIS 64 HD1 HIS 64 0.342 6.358 -1.909 319 HD2 HIS 64 HD2 HIS 64 -2.834 3.751 -2.894 320 HE1 HIS 64 HE1 HIS 64 -0.148 6.648 -4.459 321 H ARG 65 H ARG 65 -3.050 4.648 2.003 322 HA ARG 65 HA ARG 65 -1.556 3.256 4.003 323 1HB ARG 65 1HB ARG 65 -2.869 5.565 4.022 324 2HB ARG 65 2HB ARG 65 -4.181 4.595 4.678 325 1HG ARG 65 1HG ARG 65 -2.540 3.768 6.448 326 2HG ARG 65 2HG ARG 65 -1.324 4.843 5.732 327 1HD ARG 65 1HD ARG 65 -2.320 5.912 7.673 328 2HD ARG 65 2HD ARG 65 -2.722 6.779 6.179 329 HE ARG 65 HE ARG 65 -4.712 4.800 6.958 330 1HH1 ARG 65 1HH1 ARG 65 -3.557 8.036 7.633 331 2HH1 ARG 65 2HH1 ARG 65 -5.069 8.575 8.309 332 1HH2 ARG 65 1HH2 ARG 65 -6.870 5.675 7.329 333 2HH2 ARG 65 2HH2 ARG 65 -7.010 7.399 7.602 334 H HIS 66 H HIS 66 -4.943 2.987 2.986 335 HA HIS 66 HA HIS 66 -5.833 0.957 4.714 336 1HB HIS 66 1HB HIS 66 -6.467 1.566 1.810 337 2HB HIS 66 2HB HIS 66 -7.277 0.277 2.699 338 HD1 HIS 66 HD1 HIS 66 -8.399 3.434 1.653 339 HD2 HIS 66 HD2 HIS 66 -8.241 1.249 5.176 340 HE1 HIS 66 HE1 HIS 66 -10.068 4.521 3.163 341 H ILE 67 H ILE 67 -4.243 0.565 1.475 342 HA ILE 67 HA ILE 67 -4.234 -2.264 1.601 343 HB ILE 67 HB ILE 67 -2.494 -0.317 0.046 344 1HG1 ILE 67 1HG1 ILE 67 -4.757 -2.077 -0.989 345 2HG1 ILE 67 2HG1 ILE 67 -5.121 -0.516 -0.285 346 1HG2 ILE 67 1HG2 ILE 67 -2.782 -3.345 -0.234 347 2HG2 ILE 67 2HG2 ILE 67 -2.027 -2.306 -1.464 348 3HG2 ILE 67 3HG2 ILE 67 -1.306 -2.479 0.133 349 1HD1 ILE 67 1HD1 ILE 67 -3.557 0.581 -1.915 350 2HD1 ILE 67 2HD1 ILE 67 -3.386 -0.994 -2.722 351 3HD1 ILE 67 3HD1 ILE 67 -4.971 -0.191 -2.642 352 H PHE 68 H PHE 68 -1.679 0.115 2.666 353 HA PHE 68 HA PHE 68 0.157 -1.875 3.513 354 1HB PHE 68 1HB PHE 68 0.545 0.639 3.449 355 2HB PHE 68 2HB PHE 68 -0.340 0.760 4.957 356 HD1 PHE 68 HD1 PHE 68 0.599 -0.926 6.953 357 HD2 PHE 68 HD2 PHE 68 2.844 0.442 3.536 358 HE1 PHE 68 HE1 PHE 68 2.694 -1.407 8.140 359 HE2 PHE 68 HE2 PHE 68 4.955 -0.074 4.740 360 HZ PHE 68 HZ PHE 68 4.892 -0.997 7.033 361 H THR 69 H THR 69 -2.565 -0.369 5.286 362 HA THR 69 HA THR 69 -2.069 -1.688 7.759 363 HB THR 69 HB THR 69 -4.706 -0.588 6.680 364 HG1 THR 69 HG1 THR 69 -3.129 0.978 6.483 365 1HG2 THR 69 1HG2 THR 69 -4.939 -1.790 8.847 366 2HG2 THR 69 2HG2 THR 69 -3.666 -0.759 9.544 367 3HG2 THR 69 3HG2 THR 69 -5.204 -0.048 9.022 368 H GLU 70 H GLU 70 -4.070 -2.595 4.931 369 HA GLU 70 HA GLU 70 -5.202 -4.915 6.130 370 1HB GLU 70 1HB GLU 70 -6.028 -3.701 4.027 371 2HB GLU 70 2HB GLU 70 -4.670 -4.415 3.161 372 1HG GLU 70 1HG GLU 70 -6.575 -5.901 2.836 373 2HG GLU 70 2HG GLU 70 -5.471 -6.708 3.906 374 H MET 71 H MET 71 -2.375 -4.463 3.922 375 HA MET 71 HA MET 71 -1.608 -7.189 3.796 376 1HB MET 71 1HB MET 71 -0.011 -4.602 3.590 377 2HB MET 71 2HB MET 71 0.687 -6.208 3.316 378 1HG MET 71 1HG MET 71 -1.007 -6.613 1.555 379 2HG MET 71 2HG MET 71 -1.571 -4.963 1.714 380 1HE MET 71 1HE MET 71 -0.474 -6.688 -0.775 381 2HE MET 71 2HE MET 71 -1.005 -5.026 -1.153 382 3HE MET 71 3HE MET 71 0.589 -5.604 -1.678 383 H ALA 72 H ALA 72 -0.657 -4.605 6.079 384 HA ALA 72 HA ALA 72 1.049 -6.136 7.724 385 1HB ALA 72 1HB ALA 72 0.873 -3.670 7.864 386 2HB ALA 72 2HB ALA 72 -0.788 -3.809 8.443 387 3HB ALA 72 3HB ALA 72 0.560 -4.402 9.436 388 H ARG 73 H ARG 73 -2.524 -5.585 7.988 389 HA ARG 73 HA ARG 73 -2.774 -7.246 10.315 390 1HB ARG 73 1HB ARG 73 -4.358 -5.441 9.537 391 2HB ARG 73 2HB ARG 73 -4.971 -6.572 8.319 392 1HG ARG 73 1HG ARG 73 -5.712 -8.107 10.117 393 2HG ARG 73 2HG ARG 73 -4.948 -7.071 11.340 394 1HD ARG 73 1HD ARG 73 -6.440 -5.201 10.676 395 2HD ARG 73 2HD ARG 73 -7.225 -6.231 9.493 396 HE ARG 73 HE ARG 73 -7.331 -6.475 12.463 397 1HH1 ARG 73 1HH1 ARG 73 -8.479 -7.826 9.406 398 2HH1 ARG 73 2HH1 ARG 73 -9.999 -8.383 10.051 399 1HH2 ARG 73 1HH2 ARG 73 -9.397 -7.006 13.264 400 2HH2 ARG 73 2HH2 ARG 73 -10.450 -8.047 12.341 401 H LEU 74 H LEU 74 -2.985 -8.079 6.795 402 HA LEU 74 HA LEU 74 -3.877 -10.735 7.159 403 1HB LEU 74 1HB LEU 74 -2.416 -9.148 5.036 404 2HB LEU 74 2HB LEU 74 -2.517 -10.887 4.869 405 HG LEU 74 HG LEU 74 -4.976 -9.177 5.365 406 1HD1 LEU 74 1HD1 LEU 74 -3.876 -8.404 3.296 407 2HD1 LEU 74 2HD1 LEU 74 -3.867 -10.068 2.668 408 3HD1 LEU 74 3HD1 LEU 74 -5.407 -9.234 2.971 409 1HD2 LEU 74 1HD2 LEU 74 -4.563 -11.996 4.236 410 2HD2 LEU 74 2HD2 LEU 74 -5.315 -11.582 5.797 411 3HD2 LEU 74 3HD2 LEU 74 -6.126 -11.156 4.296 412 H GLN 75 H GLN 75 -0.557 -9.390 6.791 413 HA GLN 75 HA GLN 75 0.786 -11.838 7.188 414 1HB GLN 75 1HB GLN 75 1.606 -9.441 6.438 415 2HB GLN 75 2HB GLN 75 1.768 -9.119 8.142 416 1HG GLN 75 1HG GLN 75 3.905 -9.776 7.579 417 2HG GLN 75 2HG GLN 75 3.250 -11.275 8.222 418 1HE2 GLN 75 2HE2 GLN 75 5.477 -11.396 6.688 419 2HE2 GLN 75 1HE2 GLN 75 5.183 -11.931 5.052 420 H GLU 76 H GLU 76 -0.344 -9.394 9.497 421 HA GLU 76 HA GLU 76 0.586 -10.595 11.899 422 1HB GLU 76 1HB GLU 76 -0.397 -8.301 11.639 423 2HB GLU 76 2HB GLU 76 -1.998 -9.016 11.575 424 1HG GLU 76 1HG GLU 76 -0.472 -9.939 13.917 425 2HG GLU 76 2HG GLU 76 -0.519 -8.183 13.828 426 H SER 77 H SER 77 -2.395 -11.173 10.033 427 HA SER 77 HA SER 77 -3.330 -13.379 11.655 428 1HB SER 77 1HB SER 77 -4.151 -12.052 9.179 429 2HB SER 77 2HB SER 77 -4.971 -13.521 9.701 430 HG SER 77 HG SER 77 -5.703 -12.550 11.450 431 H GLY 78 H GLY 78 -0.637 -13.301 9.740 432 1HA GLY 78 1HA GLY 78 0.719 -15.036 9.158 433 2HA GLY 78 2HA GLY 78 -0.484 -16.168 9.803 434 H SER 79 H SER 79 -1.295 -13.754 7.391 435 HA SER 79 HA SER 79 -1.904 -15.962 5.458 436 1HB SER 79 1HB SER 79 -3.527 -13.485 6.172 437 2HB SER 79 2HB SER 79 -3.969 -14.683 4.946 438 HG SER 79 HG SER 79 -3.591 -15.166 7.735 439 HA PRO 80 HA PRO 80 0.358 -13.738 2.518 440 1HB PRO 80 1HB PRO 80 -1.007 -14.182 0.121 441 2HB PRO 80 2HB PRO 80 0.047 -15.344 0.941 442 1HG PRO 80 1HG PRO 80 -2.960 -15.133 1.018 443 2HG PRO 80 2HG PRO 80 -1.963 -16.610 0.901 444 1HD PRO 80 1HD PRO 80 -3.067 -15.791 3.252 445 2HD PRO 80 2HD PRO 80 -1.463 -16.578 3.196 446 H ILE 81 H ILE 81 0.453 -12.043 0.943 447 HA ILE 81 HA ILE 81 -1.730 -10.050 1.181 448 HB ILE 81 HB ILE 81 -0.020 -8.356 0.995 449 1HG1 ILE 81 1HG1 ILE 81 2.063 -10.562 1.161 450 2HG1 ILE 81 2HG1 ILE 81 1.729 -9.560 -0.264 451 1HG2 ILE 81 1HG2 ILE 81 -0.803 -9.333 3.215 452 2HG2 ILE 81 2HG2 ILE 81 0.670 -10.314 3.246 453 3HG2 ILE 81 3HG2 ILE 81 0.780 -8.556 3.297 454 1HD1 ILE 81 1HD1 ILE 81 2.295 -7.542 1.233 455 2HD1 ILE 81 2HD1 ILE 81 2.912 -8.721 2.407 456 3HD1 ILE 81 3HD1 ILE 81 3.645 -8.617 0.801 457 H ASP 82 H ASP 82 -1.430 -12.302 -0.678 458 HA ASP 82 HA ASP 82 -0.987 -11.393 -3.348 459 1HB ASP 82 1HB ASP 82 -1.448 -13.783 -2.209 460 2HB ASP 82 2HB ASP 82 -3.109 -13.424 -2.633 461 H LEU 83 H LEU 83 -2.484 -10.667 -4.923 462 HA LEU 83 HA LEU 83 -4.034 -8.548 -4.371 463 1HB LEU 83 1HB LEU 83 -3.200 -9.523 -6.615 464 2HB LEU 83 2HB LEU 83 -4.660 -10.466 -6.663 465 HG LEU 83 HG LEU 83 -5.007 -8.644 -8.074 466 1HD1 LEU 83 1HD1 LEU 83 -6.977 -8.923 -6.558 467 2HD1 LEU 83 2HD1 LEU 83 -6.393 -7.518 -5.636 468 3HD1 LEU 83 3HD1 LEU 83 -6.819 -7.347 -7.345 469 1HD2 LEU 83 1HD2 LEU 83 -3.105 -7.304 -7.221 470 2HD2 LEU 83 2HD2 LEU 83 -4.542 -6.333 -7.563 471 3HD2 LEU 83 3HD2 LEU 83 -4.121 -6.731 -5.884 472 H ILE 84 H ILE 84 -5.583 -11.761 -5.173 473 HA ILE 84 HA ILE 84 -8.107 -10.978 -4.650 474 HB ILE 84 HB ILE 84 -6.944 -13.777 -4.314 475 1HG1 ILE 84 1HG1 ILE 84 -7.472 -13.642 -6.957 476 2HG1 ILE 84 2HG1 ILE 84 -6.968 -12.011 -6.770 477 1HG2 ILE 84 1HG2 ILE 84 -9.395 -13.430 -3.944 478 2HG2 ILE 84 2HG2 ILE 84 -9.522 -12.770 -5.589 479 3HG2 ILE 84 3HG2 ILE 84 -9.058 -14.455 -5.337 480 1HD1 ILE 84 1HD1 ILE 84 -4.760 -12.990 -5.812 481 2HD1 ILE 84 2HD1 ILE 84 -5.419 -14.583 -6.221 482 3HD1 ILE 84 3HD1 ILE 84 -5.120 -13.387 -7.496 483 H THR 85 H THR 85 -5.820 -12.610 -2.448 484 HA THR 85 HA THR 85 -7.560 -12.913 -0.290 485 HB THR 85 HB THR 85 -4.533 -12.557 -0.250 486 HG1 THR 85 HG1 THR 85 -5.064 -14.329 -1.522 487 1HG2 THR 85 1HG2 THR 85 -6.417 -13.876 1.765 488 2HG2 THR 85 2HG2 THR 85 -4.644 -13.871 1.850 489 3HG2 THR 85 3HG2 THR 85 -5.526 -12.357 2.011 490 H LEU 86 H LEU 86 -5.432 -10.277 -1.165 491 HA LEU 86 HA LEU 86 -5.875 -8.534 1.036 492 1HB LEU 86 1HB LEU 86 -4.048 -8.372 -0.707 493 2HB LEU 86 2HB LEU 86 -5.240 -7.947 -1.892 494 HG LEU 86 HG LEU 86 -5.806 -5.878 -0.480 495 1HD1 LEU 86 1HD1 LEU 86 -3.110 -6.633 0.732 496 2HD1 LEU 86 2HD1 LEU 86 -3.970 -5.093 0.986 497 3HD1 LEU 86 3HD1 LEU 86 -4.651 -6.611 1.595 498 1HD2 LEU 86 1HD2 LEU 86 -4.567 -5.884 -2.627 499 2HD2 LEU 86 2HD2 LEU 86 -3.986 -4.638 -1.523 500 3HD2 LEU 86 3HD2 LEU 86 -3.048 -6.140 -1.746 501 H ALA 87 H ALA 87 -7.372 -8.525 -2.155 502 HA ALA 87 HA ALA 87 -9.179 -6.394 -1.745 503 1HB ALA 87 1HB ALA 87 -8.713 -7.497 -3.962 504 2HB ALA 87 2HB ALA 87 -9.664 -8.893 -3.435 505 3HB ALA 87 3HB ALA 87 -10.449 -7.309 -3.621 506 H GLU 88 H GLU 88 -9.752 -9.888 -1.291 507 HA GLU 88 HA GLU 88 -12.407 -9.652 -0.306 508 1HB GLU 88 1HB GLU 88 -10.263 -11.759 0.154 509 2HB GLU 88 2HB GLU 88 -11.969 -11.995 0.533 510 1HG GLU 88 1HG GLU 88 -11.178 -11.239 -2.309 511 2HG GLU 88 2HG GLU 88 -10.891 -12.869 -1.728 512 H SER 89 H SER 89 -9.230 -9.493 1.322 513 HA SER 89 HA SER 89 -10.304 -9.707 3.961 514 1HB SER 89 1HB SER 89 -7.912 -10.131 3.185 515 2HB SER 89 2HB SER 89 -7.682 -8.374 3.189 516 HG SER 89 HG SER 89 -7.620 -8.420 5.267 517 H LEU 90 H LEU 90 -9.467 -6.944 1.869 518 HA LEU 90 HA LEU 90 -10.169 -4.865 3.677 519 1HB LEU 90 1HB LEU 90 -9.911 -5.119 0.689 520 2HB LEU 90 2HB LEU 90 -10.716 -3.695 1.333 521 HG LEU 90 HG LEU 90 -8.042 -4.519 2.401 522 1HD1 LEU 90 1HD1 LEU 90 -8.561 -2.816 -0.034 523 2HD1 LEU 90 2HD1 LEU 90 -6.982 -2.965 0.785 524 3HD1 LEU 90 3HD1 LEU 90 -7.720 -4.380 0.015 525 1HD2 LEU 90 1HD2 LEU 90 -9.426 -1.810 2.212 526 2HD2 LEU 90 2HD2 LEU 90 -9.264 -2.809 3.678 527 3HD2 LEU 90 3HD2 LEU 90 -7.825 -2.125 2.931 528 H GLU 91 H GLU 91 -12.272 -6.773 1.359 529 HA GLU 91 HA GLU 91 -14.578 -5.290 1.981 530 1HB GLU 91 1HB GLU 91 -13.861 -7.345 0.190 531 2HB GLU 91 2HB GLU 91 -14.865 -8.224 1.360 532 1HG GLU 91 1HG GLU 91 -16.465 -6.220 1.146 533 2HG GLU 91 2HG GLU 91 -15.535 -5.788 -0.298 534 H ARG 92 H ARG 92 -13.249 -8.243 3.492 535 HA ARG 92 HA ARG 92 -15.355 -8.476 5.424 536 1HB ARG 92 1HB ARG 92 -12.404 -9.215 5.615 537 2HB ARG 92 2HB ARG 92 -13.608 -9.617 6.839 538 1HG ARG 92 1HG ARG 92 -14.928 -10.845 5.077 539 2HG ARG 92 2HG ARG 92 -13.618 -10.548 3.929 540 1HD ARG 92 1HD ARG 92 -12.031 -11.698 5.430 541 2HD ARG 92 2HD ARG 92 -13.324 -11.978 6.601 542 HE ARG 92 HE ARG 92 -12.932 -13.293 3.969 543 1HH1 ARG 92 1HH1 ARG 92 -15.225 -12.994 6.676 544 2HH1 ARG 92 2HH1 ARG 92 -15.586 -14.681 6.723 545 1HH2 ARG 92 1HH2 ARG 92 -13.526 -15.363 3.885 546 2HH2 ARG 92 2HH2 ARG 92 -14.604 -16.109 5.055 547 H GLN 93 H GLN 93 -12.412 -6.474 5.382 548 HA GLN 93 HA GLN 93 -12.985 -5.234 7.941 549 1HB GLN 93 1HB GLN 93 -11.095 -4.453 5.681 550 2HB GLN 93 2HB GLN 93 -11.226 -3.616 7.213 551 1HG GLN 93 1HG GLN 93 -10.869 -6.293 7.988 552 2HG GLN 93 2HG GLN 93 -9.808 -6.098 6.605 553 1HE2 GLN 93 2HE2 GLN 93 -8.120 -4.559 6.708 554 2HE2 GLN 93 1HE2 GLN 93 -7.547 -3.840 8.221 555 H GLY 94 H GLY 94 -14.546 -4.740 4.817 556 1HA GLY 94 1HA GLY 94 -16.305 -3.332 4.452 557 2HA GLY 94 2HA GLY 94 -16.085 -2.621 6.058 558 H GLN 95 H GLN 95 -13.417 -2.813 3.809 559 HA GLN 95 HA GLN 95 -13.431 0.144 3.423 560 1HB GLN 95 1HB GLN 95 -11.314 -1.683 4.611 561 2HB GLN 95 2HB GLN 95 -10.898 -0.100 3.938 562 1HG GLN 95 1HG GLN 95 -12.269 1.067 5.481 563 2HG GLN 95 2HG GLN 95 -13.070 -0.392 6.050 564 1HE2 GLN 95 2HE2 GLN 95 -12.119 -1.659 7.642 565 2HE2 GLN 95 1HE2 GLN 95 -10.631 -1.210 8.464 566 H LEU 96 H LEU 96 -13.608 -2.653 1.715 567 HA LEU 96 HA LEU 96 -11.527 -2.401 -0.247 568 1HB LEU 96 1HB LEU 96 -12.865 -4.423 0.060 569 2HB LEU 96 2HB LEU 96 -14.298 -3.572 -0.533 570 HG LEU 96 HG LEU 96 -13.210 -3.241 -2.706 571 1HD1 LEU 96 1HD1 LEU 96 -10.854 -4.731 -1.486 572 2HD1 LEU 96 2HD1 LEU 96 -11.078 -4.536 -3.231 573 3HD1 LEU 96 3HD1 LEU 96 -10.838 -3.112 -2.225 574 1HD2 LEU 96 1HD2 LEU 96 -14.531 -5.245 -2.343 575 2HD2 LEU 96 2HD2 LEU 96 -13.187 -5.579 -3.450 576 3HD2 LEU 96 3HD2 LEU 96 -13.090 -6.111 -1.757 577 H ASP 97 H ASP 97 -14.793 -1.027 0.018 578 HA ASP 97 HA ASP 97 -14.820 0.371 -2.497 579 1HB ASP 97 1HB ASP 97 -16.225 0.959 0.141 580 2HB ASP 97 2HB ASP 97 -16.541 1.801 -1.380 581 H SER 98 H SER 98 -13.683 1.185 0.758 582 HA SER 98 HA SER 98 -12.901 3.887 0.268 583 1HB SER 98 1HB SER 98 -12.069 2.002 2.500 584 2HB SER 98 2HB SER 98 -11.997 3.774 2.494 585 HG SER 98 HG SER 98 -13.940 2.708 3.506 586 H VAL 99 H VAL 99 -11.492 1.092 -1.031 587 HA VAL 99 HA VAL 99 -9.055 2.708 -1.451 588 HB VAL 99 HB VAL 99 -7.738 0.824 -1.749 589 1HG1 VAL 99 1HG1 VAL 99 -8.298 1.539 0.607 590 2HG1 VAL 99 2HG1 VAL 99 -9.367 0.164 0.744 591 3HG1 VAL 99 3HG1 VAL 99 -7.648 -0.110 0.460 592 1HG2 VAL 99 1HG2 VAL 99 -9.458 -0.697 -2.859 593 2HG2 VAL 99 2HG2 VAL 99 -8.332 -1.447 -1.738 594 3HG2 VAL 99 3HG2 VAL 99 -9.988 -1.109 -1.210 595 H GLY 100 H GLY 100 -11.891 1.654 -2.917 596 1HA GLY 100 1HA GLY 100 -12.401 2.514 -5.099 597 2HA GLY 100 2HA GLY 100 -10.748 2.242 -5.618 598 H GLY 101 H GLY 101 -12.058 -0.442 -3.785 599 1HA GLY 101 1HA GLY 101 -13.270 -2.307 -4.501 600 2HA GLY 101 2HA GLY 101 -13.282 -1.707 -6.140 601 H PHE 102 H PHE 102 -12.778 -4.267 -5.937 602 HA PHE 102 HA PHE 102 -10.076 -5.185 -5.789 603 1HB PHE 102 1HB PHE 102 -12.233 -6.543 -6.002 604 2HB PHE 102 2HB PHE 102 -12.250 -6.096 -7.706 605 HD1 PHE 102 HD1 PHE 102 -10.017 -6.734 -9.091 606 HD2 PHE 102 HD2 PHE 102 -11.319 -8.599 -5.414 607 HE1 PHE 102 HE1 PHE 102 -8.601 -8.687 -9.568 608 HE2 PHE 102 HE2 PHE 102 -9.907 -10.546 -5.910 609 HZ PHE 102 HZ PHE 102 -8.486 -10.590 -7.977 610 H ALA 103 H ALA 103 -12.006 -3.577 -8.363 611 HA ALA 103 HA ALA 103 -10.128 -3.864 -10.435 612 1HB ALA 103 1HB ALA 103 -12.464 -3.185 -10.775 613 2HB ALA 103 2HB ALA 103 -12.147 -1.635 -9.965 614 3HB ALA 103 3HB ALA 103 -11.349 -2.013 -11.511 615 H TYR 104 H TYR 104 -10.161 -1.412 -7.793 616 HA TYR 104 HA TYR 104 -8.038 0.097 -9.108 617 1HB TYR 104 1HB TYR 104 -9.676 1.119 -7.495 618 2HB TYR 104 2HB TYR 104 -8.822 0.287 -6.190 619 HD1 TYR 104 HD1 TYR 104 -8.338 2.599 -9.107 620 HD2 TYR 104 HD2 TYR 104 -6.830 1.347 -5.268 621 HE1 TYR 104 HE1 TYR 104 -6.713 4.442 -9.155 622 HE2 TYR 104 HE2 TYR 104 -5.225 3.248 -5.284 623 HH TYR 104 HH TYR 104 -4.975 5.453 -8.101 624 H LEU 105 H LEU 105 -8.271 -2.516 -6.668 625 HA LEU 105 HA LEU 105 -5.458 -2.516 -6.015 626 1HB LEU 105 1HB LEU 105 -7.463 -4.806 -5.989 627 2HB LEU 105 2HB LEU 105 -5.840 -4.875 -5.315 628 HG LEU 105 HG LEU 105 -7.997 -2.913 -4.390 629 1HD1 LEU 105 1HD1 LEU 105 -7.040 -5.512 -3.133 630 2HD1 LEU 105 2HD1 LEU 105 -8.155 -4.334 -2.394 631 3HD1 LEU 105 3HD1 LEU 105 -8.630 -5.186 -3.864 632 1HD2 LEU 105 1HD2 LEU 105 -5.222 -3.559 -3.313 633 2HD2 LEU 105 2HD2 LEU 105 -5.818 -1.997 -3.915 634 3HD2 LEU 105 3HD2 LEU 105 -6.463 -2.660 -2.415 635 H ALA 106 H ALA 106 -7.345 -4.188 -8.546 636 HA ALA 106 HA ALA 106 -5.199 -5.520 -9.777 637 1HB ALA 106 1HB ALA 106 -7.806 -4.455 -10.928 638 2HB ALA 106 2HB ALA 106 -6.703 -5.544 -11.785 639 3HB ALA 106 3HB ALA 106 -7.495 -6.079 -10.287 640 H GLU 107 H GLU 107 -6.537 -2.282 -10.372 641 HA GLU 107 HA GLU 107 -4.896 -1.408 -12.508 642 1HB GLU 107 1HB GLU 107 -6.861 -0.126 -11.777 643 2HB GLU 107 2HB GLU 107 -6.162 0.099 -10.196 644 1HG GLU 107 1HG GLU 107 -5.908 2.163 -11.085 645 2HG GLU 107 2HG GLU 107 -4.305 1.487 -11.306 646 H LEU 108 H LEU 108 -4.373 -1.075 -8.983 647 HA LEU 108 HA LEU 108 -1.792 0.136 -9.130 648 1HB LEU 108 1HB LEU 108 -3.076 -1.646 -7.017 649 2HB LEU 108 2HB LEU 108 -1.572 -0.775 -6.804 650 HG LEU 108 HG LEU 108 -4.151 0.697 -7.497 651 1HD1 LEU 108 1HD1 LEU 108 -3.063 -0.085 -4.771 652 2HD1 LEU 108 2HD1 LEU 108 -4.292 1.153 -5.011 653 3HD1 LEU 108 3HD1 LEU 108 -4.638 -0.520 -5.465 654 1HD2 LEU 108 1HD2 LEU 108 -2.048 1.917 -7.820 655 2HD2 LEU 108 2HD2 LEU 108 -3.028 2.594 -6.513 656 3HD2 LEU 108 3HD2 LEU 108 -1.614 1.590 -6.121 657 H SER 109 H SER 109 -2.770 -3.287 -8.879 658 HA SER 109 HA SER 109 -0.154 -4.345 -8.746 659 1HB SER 109 1HB SER 109 -2.622 -5.402 -8.523 660 2HB SER 109 2HB SER 109 -2.274 -5.926 -10.178 661 HG SER 109 HG SER 109 -0.749 -6.333 -7.813 662 H LYS 110 H LYS 110 -2.162 -3.423 -11.569 663 HA LYS 110 HA LYS 110 -0.211 -4.380 -13.512 664 1HB LYS 110 1HB LYS 110 -2.680 -2.637 -13.671 665 2HB LYS 110 2HB LYS 110 -1.712 -3.042 -15.097 666 1HG LYS 110 1HG LYS 110 -2.300 -5.345 -14.978 667 2HG LYS 110 2HG LYS 110 -2.783 -5.239 -13.288 668 1HD LYS 110 1HD LYS 110 -4.802 -5.430 -14.549 669 2HD LYS 110 2HD LYS 110 -4.712 -3.795 -13.915 670 1HE LYS 110 1HE LYS 110 -5.446 -3.509 -16.123 671 2HE LYS 110 2HE LYS 110 -3.734 -3.087 -16.186 672 1HZ LYS 110 1HZ LYS 110 -3.316 -5.341 -17.062 673 2HZ LYS 110 2HZ LYS 110 -4.925 -5.676 -17.017 674 3HZ LYS 110 3HZ LYS 110 -4.346 -4.517 -18.013 675 H ASN 111 H ASN 111 -0.491 -1.553 -11.591 676 HA ASN 111 HA ASN 111 1.484 0.020 -13.145 677 1HB ASN 111 1HB ASN 111 -0.479 1.182 -12.132 678 2HB ASN 111 2HB ASN 111 0.070 0.664 -10.531 679 1HD2 ASN 111 2HD2 ASN 111 0.216 3.057 -9.980 680 2HD2 ASN 111 1HD2 ASN 111 1.714 3.824 -10.443 681 H THR 112 H THR 112 2.406 -2.536 -12.258 682 HA THR 112 HA THR 112 4.236 -1.820 -10.025 683 HB THR 112 HB THR 112 2.948 -4.479 -10.575 684 HG1 THR 112 HG1 THR 112 1.657 -2.750 -9.556 685 1HG2 THR 112 1HG2 THR 112 4.827 -3.556 -8.375 686 2HG2 THR 112 2HG2 THR 112 3.987 -5.135 -8.474 687 3HG2 THR 112 3HG2 THR 112 5.222 -4.705 -9.662 688 HA PRO 113 HA PRO 113 7.189 -2.951 -13.363 689 1HB PRO 113 1HB PRO 113 9.239 -1.367 -12.570 690 2HB PRO 113 2HB PRO 113 7.781 -0.697 -13.344 691 1HG PRO 113 1HG PRO 113 8.386 -0.829 -10.372 692 2HG PRO 113 2HG PRO 113 7.816 0.576 -11.331 693 1HD PRO 113 1HD PRO 113 6.196 -1.114 -9.887 694 2HD PRO 113 2HD PRO 113 5.635 -0.219 -11.332 695 H SER 114 H SER 114 6.588 -4.886 -11.806 696 HA SER 114 HA SER 114 7.093 -6.577 -10.418 697 1HB SER 114 1HB SER 114 8.866 -6.836 -12.186 698 2HB SER 114 2HB SER 114 10.014 -6.093 -11.052 699 HG SER 114 HG SER 114 9.836 -8.471 -11.033 700 H ALA 115 H ALA 115 9.378 -6.904 -8.674 701 HA ALA 115 HA ALA 115 9.012 -4.705 -6.683 702 1HB ALA 115 1HB ALA 115 8.266 -6.947 -5.916 703 2HB ALA 115 2HB ALA 115 9.896 -7.588 -6.232 704 3HB ALA 115 3HB ALA 115 9.652 -6.337 -5.000 705 H ALA 116 H ALA 116 10.749 -4.919 -9.152 706 HA ALA 116 HA ALA 116 13.426 -5.557 -8.342 707 1HB ALA 116 1HB ALA 116 12.340 -4.169 -10.829 708 2HB ALA 116 2HB ALA 116 14.007 -4.732 -10.572 709 3HB ALA 116 3HB ALA 116 12.681 -5.910 -10.633 710 H ASN 117 H ASN 117 14.359 -4.318 -6.844 711 HA ASN 117 HA ASN 117 15.367 -2.603 -5.806 712 1HB ASN 117 1HB ASN 117 15.838 -1.785 -8.243 713 2HB ASN 117 2HB ASN 117 14.607 -0.567 -7.854 714 1HD2 ASN 117 2HD2 ASN 117 16.146 1.183 -7.936 715 2HD2 ASN 117 1HD2 ASN 117 17.404 1.336 -6.733 716 H ILE 118 H ILE 118 12.390 -3.291 -5.673 717 HA ILE 118 HA ILE 118 10.808 -1.137 -5.042 718 HB ILE 118 HB ILE 118 10.288 -3.561 -5.070 719 1HG1 ILE 118 1HG1 ILE 118 9.183 -1.980 -2.712 720 2HG1 ILE 118 2HG1 ILE 118 8.662 -1.838 -4.397 721 1HG2 ILE 118 1HG2 ILE 118 12.014 -4.395 -3.504 722 2HG2 ILE 118 2HG2 ILE 118 11.032 -3.741 -2.156 723 3HG2 ILE 118 3HG2 ILE 118 10.385 -4.997 -3.216 724 1HD1 ILE 118 1HD1 ILE 118 7.923 -4.232 -4.325 725 2HD1 ILE 118 2HD1 ILE 118 8.320 -4.262 -2.584 726 3HD1 ILE 118 3HD1 ILE 118 7.069 -3.182 -3.176 727 H SER 119 H SER 119 13.090 -2.714 -3.016 728 HA SER 119 HA SER 119 12.809 -1.373 -0.589 729 1HB SER 119 1HB SER 119 15.504 -2.000 -1.897 730 2HB SER 119 2HB SER 119 15.209 -1.824 -0.156 731 HG SER 119 HG SER 119 14.264 -3.678 -0.058 732 H ALA 120 H ALA 120 14.406 -0.144 -3.448 733 HA ALA 120 HA ALA 120 15.278 2.362 -2.240 734 1HB ALA 120 1HB ALA 120 16.480 1.171 -4.097 735 2HB ALA 120 2HB ALA 120 15.114 1.597 -5.167 736 3HB ALA 120 3HB ALA 120 16.086 2.870 -4.421 737 H TYR 121 H TYR 121 12.341 1.196 -3.945 738 HA TYR 121 HA TYR 121 11.315 3.859 -4.501 739 1HB TYR 121 1HB TYR 121 9.984 1.131 -4.264 740 2HB TYR 121 2HB TYR 121 9.137 2.636 -4.485 741 HD1 TYR 121 HD1 TYR 121 12.259 1.397 -6.264 742 HD2 TYR 121 HD2 TYR 121 8.065 2.428 -6.506 743 HE1 TYR 121 HE1 TYR 121 12.305 0.999 -8.671 744 HE2 TYR 121 HE2 TYR 121 8.123 2.039 -8.944 745 HH TYR 121 HH TYR 121 10.607 0.330 -10.451 746 H ALA 122 H ALA 122 10.941 1.334 -1.937 747 HA ALA 122 HA ALA 122 9.224 2.886 -0.293 748 1HB ALA 122 1HB ALA 122 9.427 0.437 -0.121 749 2HB ALA 122 2HB ALA 122 11.110 0.597 0.432 750 3HB ALA 122 3HB ALA 122 9.773 1.209 1.435 751 H ASP 123 H ASP 123 12.739 2.786 -0.602 752 HA ASP 123 HA ASP 123 13.472 4.346 1.635 753 1HB ASP 123 1HB ASP 123 14.914 3.102 -0.072 754 2HB ASP 123 2HB ASP 123 14.732 4.488 -1.123 755 H ILE 124 H ILE 124 12.301 5.296 -1.566 756 HA ILE 124 HA ILE 124 12.551 8.170 -1.101 757 HB ILE 124 HB ILE 124 10.623 6.819 -3.028 758 1HG1 ILE 124 1HG1 ILE 124 13.279 8.051 -3.855 759 2HG1 ILE 124 2HG1 ILE 124 13.204 6.380 -3.349 760 1HG2 ILE 124 1HG2 ILE 124 11.720 9.664 -2.888 761 2HG2 ILE 124 2HG2 ILE 124 10.718 9.030 -4.213 762 3HG2 ILE 124 3HG2 ILE 124 10.048 9.163 -2.593 763 1HD1 ILE 124 1HD1 ILE 124 11.420 5.938 -5.061 764 2HD1 ILE 124 2HD1 ILE 124 11.659 7.577 -5.676 765 3HD1 ILE 124 3HD1 ILE 124 12.985 6.400 -5.740 766 H VAL 125 H VAL 125 9.857 5.782 -0.661 767 HA VAL 125 HA VAL 125 7.979 7.742 0.262 768 HB VAL 125 HB VAL 125 8.130 4.820 0.977 769 1HG1 VAL 125 1HG1 VAL 125 6.574 6.093 2.459 770 2HG1 VAL 125 2HG1 VAL 125 5.773 6.783 1.034 771 3HG1 VAL 125 3HG1 VAL 125 5.666 5.046 1.366 772 1HG2 VAL 125 1HG2 VAL 125 6.731 6.287 -1.322 773 2HG2 VAL 125 2HG2 VAL 125 7.998 5.055 -1.466 774 3HG2 VAL 125 3HG2 VAL 125 6.403 4.599 -0.887 775 H ARG 126 H ARG 126 10.343 5.722 2.047 776 HA ARG 126 HA ARG 126 10.010 6.862 4.611 777 1HB ARG 126 1HB ARG 126 11.429 4.896 4.137 778 2HB ARG 126 2HB ARG 126 12.603 5.938 3.322 779 1HG ARG 126 1HG ARG 126 12.885 7.254 5.427 780 2HG ARG 126 2HG ARG 126 11.732 6.172 6.232 781 1HD ARG 126 1HD ARG 126 13.246 4.296 5.938 782 2HD ARG 126 2HD ARG 126 14.298 5.275 4.890 783 HE ARG 126 HE ARG 126 13.794 6.247 7.625 784 1HH1 ARG 126 1HH1 ARG 126 16.093 4.364 5.566 785 2HH1 ARG 126 2HH1 ARG 126 17.442 4.799 6.598 786 1HH2 ARG 126 1HH2 ARG 126 15.674 6.675 8.917 787 2HH2 ARG 126 2HH2 ARG 126 17.228 6.044 8.396 788 H GLU 127 H GLU 127 12.239 7.987 1.976 789 HA GLU 127 HA GLU 127 13.438 10.082 3.312 790 1HB GLU 127 1HB GLU 127 14.037 9.275 1.019 791 2HB GLU 127 2HB GLU 127 12.563 9.957 0.376 792 1HG GLU 127 1HG GLU 127 13.319 12.249 1.077 793 2HG GLU 127 2HG GLU 127 14.840 11.530 1.610 794 H ARG 128 H ARG 128 10.590 10.225 1.263 795 HA ARG 128 HA ARG 128 10.171 13.042 1.893 796 1HB ARG 128 1HB ARG 128 8.030 11.200 0.808 797 2HB ARG 128 2HB ARG 128 8.064 12.960 0.724 798 1HG ARG 128 1HG ARG 128 9.958 11.046 -0.695 799 2HG ARG 128 2HG ARG 128 8.664 11.959 -1.424 800 1HD ARG 128 1HD ARG 128 9.865 14.043 -1.099 801 2HD ARG 128 2HD ARG 128 11.091 13.234 -0.108 802 HE ARG 128 HE ARG 128 12.144 12.429 -1.932 803 1HH1 ARG 128 1HH1 ARG 128 8.853 13.474 -3.056 804 2HH1 ARG 128 2HH1 ARG 128 9.226 13.010 -4.684 805 1HH2 ARG 128 1HH2 ARG 128 12.432 11.836 -4.154 806 2HH2 ARG 128 2HH2 ARG 128 11.136 12.120 -5.291 807 H ALA 129 H ALA 129 9.243 10.153 3.708 808 HA ALA 129 HA ALA 129 7.340 11.638 5.361 809 1HB ALA 129 1HB ALA 129 6.998 9.239 5.078 810 2HB ALA 129 2HB ALA 129 8.585 8.897 5.804 811 3HB ALA 129 3HB ALA 129 7.295 9.646 6.760 812 H VAL 130 H VAL 130 10.826 10.746 5.478 813 HA VAL 130 HA VAL 130 11.382 11.879 8.029 814 HB VAL 130 HB VAL 130 13.070 11.446 5.528 815 1HG1 VAL 130 1HG1 VAL 130 14.055 12.288 8.265 816 2HG1 VAL 130 2HG1 VAL 130 15.072 11.717 6.923 817 3HG1 VAL 130 3HG1 VAL 130 14.167 13.225 6.762 818 1HG2 VAL 130 1HG2 VAL 130 12.242 9.376 6.742 819 2HG2 VAL 130 2HG2 VAL 130 13.997 9.526 6.626 820 3HG2 VAL 130 3HG2 VAL 130 13.167 9.913 8.145 821 H VAL 131 H VAL 131 11.642 13.307 4.747 822 HA VAL 131 HA VAL 131 12.216 15.913 5.758 823 HB VAL 131 HB VAL 131 11.064 15.185 3.052 824 1HG1 VAL 131 1HG1 VAL 131 12.610 17.640 4.030 825 2HG1 VAL 131 2HG1 VAL 131 12.239 17.306 2.330 826 3HG1 VAL 131 3HG1 VAL 131 10.926 17.612 3.482 827 1HG2 VAL 131 1HG2 VAL 131 13.250 14.004 3.507 828 2HG2 VAL 131 2HG2 VAL 131 13.410 15.232 2.258 829 3HG2 VAL 131 3HG2 VAL 131 13.976 15.556 3.909 830 H ARG 132 H ARG 132 9.099 14.271 5.239 831 HA ARG 132 HA ARG 132 7.440 16.562 5.583 832 1HB ARG 132 1HB ARG 132 6.514 14.445 4.775 833 2HB ARG 132 2HB ARG 132 6.868 13.671 6.329 834 1HG ARG 132 1HG ARG 132 5.286 15.236 7.445 835 2HG ARG 132 2HG ARG 132 4.915 15.961 5.881 836 1HD ARG 132 1HD ARG 132 4.455 13.053 6.673 837 2HD ARG 132 2HD ARG 132 3.215 14.299 6.650 838 HE ARG 132 HE ARG 132 4.426 12.905 4.370 839 1HH1 ARG 132 1HH1 ARG 132 2.399 15.696 5.259 840 2HH1 ARG 132 2HH1 ARG 132 1.518 15.647 3.751 841 1HH2 ARG 132 1HH2 ARG 132 3.020 12.748 2.523 842 2HH2 ARG 132 2HH2 ARG 132 1.879 14.058 2.249 843 H GLU 133 H GLU 133 8.640 14.283 7.968 844 HA GLU 133 HA GLU 133 7.446 15.794 10.156 845 1HB GLU 133 1HB GLU 133 8.493 14.307 11.655 846 2HB GLU 133 2HB GLU 133 7.933 13.402 10.241 847 1HG GLU 133 1HG GLU 133 10.116 13.129 9.382 848 2HG GLU 133 2HG GLU 133 10.826 14.195 10.611 849 H MET 134 H MET 134 10.452 15.926 8.544 850 HA MET 134 HA MET 134 11.631 17.970 10.324 851 1HB MET 134 1HB MET 134 12.483 16.987 7.582 852 2HB MET 134 2HB MET 134 13.344 18.213 8.517 853 1HG MET 134 1HG MET 134 13.576 16.633 10.402 854 2HG MET 134 2HG MET 134 12.862 15.358 9.417 855 1HE MET 134 1HE MET 134 15.479 15.288 11.009 856 2HE MET 134 2HE MET 134 15.097 13.868 10.012 857 3HE MET 134 3HE MET 134 16.715 14.592 9.942 858 H ILE 135 H ILE 135 9.028 18.239 8.261 859 HA ILE 135 HA ILE 135 7.947 19.898 7.277 860 HB ILE 135 HB ILE 135 9.285 21.678 9.323 861 1HG1 ILE 135 1HG1 ILE 135 8.545 19.614 10.492 862 2HG1 ILE 135 2HG1 ILE 135 7.699 21.048 11.003 863 1HG2 ILE 135 1HG2 ILE 135 6.508 21.735 8.058 864 2HG2 ILE 135 2HG2 ILE 135 6.994 22.732 9.445 865 3HG2 ILE 135 3HG2 ILE 135 7.781 22.949 7.885 866 1HD1 ILE 135 1HD1 ILE 135 6.475 19.187 8.934 867 2HD1 ILE 135 2HD1 ILE 135 6.296 18.930 10.677 868 3HD1 ILE 135 3HD1 ILE 135 5.674 20.414 9.924 869 H SER 136 H SER 136 10.104 19.225 5.791 870 HA SER 136 HA SER 136 11.504 19.846 4.127 871 1HB SER 136 1HB SER 136 9.805 22.365 4.072 872 2HB SER 136 2HB SER 136 11.037 21.948 2.889 873 HG SER 136 HG SER 136 9.370 21.164 1.957 Start of MODEL 13 1 1H MET 23 1H MET 23 7.580 29.317 -1.217 2 2H MET 23 2H MET 23 8.104 29.029 -2.740 3 3H MET 23 3H MET 23 6.954 30.196 -2.452 4 HA MET 23 HA MET 23 5.395 28.563 -1.715 5 1HB MET 23 1HB MET 23 5.571 29.183 -4.168 6 2HB MET 23 2HB MET 23 6.583 27.742 -4.396 7 1HG MET 23 1HG MET 23 4.627 26.399 -3.418 8 2HG MET 23 2HG MET 23 3.665 27.868 -3.553 9 1HE MET 23 1HE MET 23 3.162 29.077 -5.821 10 2HE MET 23 2HE MET 23 4.821 29.057 -6.459 11 3HE MET 23 3HE MET 23 3.490 28.400 -7.432 12 H LYS 24 H LYS 24 5.027 26.459 -0.936 13 HA LYS 24 HA LYS 24 7.014 24.461 -1.695 14 1HB LYS 24 1HB LYS 24 7.148 25.485 0.930 15 2HB LYS 24 2HB LYS 24 6.328 23.932 1.106 16 1HG LYS 24 1HG LYS 24 8.895 24.379 -0.466 17 2HG LYS 24 2HG LYS 24 8.840 23.829 1.215 18 1HD LYS 24 1HD LYS 24 7.863 21.726 0.609 19 2HD LYS 24 2HD LYS 24 7.465 22.272 -1.015 20 1HE LYS 24 1HE LYS 24 9.404 20.722 -0.920 21 2HE LYS 24 2HE LYS 24 9.729 22.249 -1.746 22 1HZ LYS 24 1HZ LYS 24 10.449 21.768 1.083 23 2HZ LYS 24 2HZ LYS 24 11.458 21.458 -0.146 24 3HZ LYS 24 3HZ LYS 24 10.944 23.009 0.141 25 H VAL 25 H VAL 25 5.823 23.303 -2.925 26 HA VAL 25 HA VAL 25 3.223 22.233 -2.033 27 HB VAL 25 HB VAL 25 4.817 22.030 -4.621 28 1HG1 VAL 25 1HG1 VAL 25 2.044 20.975 -3.924 29 2HG1 VAL 25 2HG1 VAL 25 2.744 21.021 -5.550 30 3HG1 VAL 25 3HG1 VAL 25 3.483 19.995 -4.327 31 1HG2 VAL 25 1HG2 VAL 25 2.229 23.525 -3.961 32 2HG2 VAL 25 2HG2 VAL 25 3.806 24.273 -4.267 33 3HG2 VAL 25 3HG2 VAL 25 2.983 23.409 -5.566 34 HA PRO 26 HA PRO 26 5.788 18.746 -0.594 35 1HB PRO 26 1HB PRO 26 3.778 16.884 -0.171 36 2HB PRO 26 2HB PRO 26 4.235 18.163 0.977 37 1HG PRO 26 1HG PRO 26 1.949 18.155 -0.992 38 2HG PRO 26 2HG PRO 26 1.946 18.712 0.711 39 1HD PRO 26 1HD PRO 26 2.175 20.416 -1.423 40 2HD PRO 26 2HD PRO 26 2.971 20.746 0.145 41 HA PRO 27 HA PRO 27 5.870 17.042 -4.734 42 1HB PRO 27 1HB PRO 27 7.716 15.044 -4.509 43 2HB PRO 27 2HB PRO 27 8.154 16.777 -4.396 44 1HG PRO 27 1HG PRO 27 7.592 14.857 -2.102 45 2HG PRO 27 2HG PRO 27 9.016 15.908 -2.317 46 1HD PRO 27 1HD PRO 27 6.901 16.685 -0.797 47 2HD PRO 27 2HD PRO 27 7.751 17.873 -1.834 48 H HIS 28 H HIS 28 5.269 15.012 -1.937 49 HA HIS 28 HA HIS 28 4.360 13.054 -1.516 50 1HB HIS 28 1HB HIS 28 2.217 12.424 -2.827 51 2HB HIS 28 2HB HIS 28 2.255 13.772 -1.726 52 HD1 HIS 28 HD1 HIS 28 2.733 16.312 -3.179 53 HD2 HIS 28 HD2 HIS 28 0.898 13.005 -5.039 54 HE1 HIS 28 HE1 HIS 28 1.408 17.223 -5.090 55 H SER 29 H SER 29 3.748 10.790 -2.427 56 HA SER 29 HA SER 29 5.618 10.032 -4.619 57 1HB SER 29 1HB SER 29 5.699 9.037 -1.735 58 2HB SER 29 2HB SER 29 6.697 8.453 -3.076 59 HG SER 29 HG SER 29 6.868 11.073 -3.082 60 H ILE 30 H ILE 30 2.705 10.036 -4.516 61 HA ILE 30 HA ILE 30 1.323 7.768 -3.940 62 HB ILE 30 HB ILE 30 1.270 9.285 -6.604 63 1HG1 ILE 30 1HG1 ILE 30 1.092 10.907 -4.869 64 2HG1 ILE 30 2HG1 ILE 30 -0.459 10.736 -5.680 65 1HG2 ILE 30 1HG2 ILE 30 -0.082 7.271 -6.800 66 2HG2 ILE 30 2HG2 ILE 30 -1.043 7.748 -5.388 67 3HG2 ILE 30 3HG2 ILE 30 -1.065 8.728 -6.860 68 1HD1 ILE 30 1HD1 ILE 30 -1.206 9.238 -3.791 69 2HD1 ILE 30 2HD1 ILE 30 0.339 9.589 -2.982 70 3HD1 ILE 30 3HD1 ILE 30 -0.830 10.891 -3.281 71 H GLU 31 H GLU 31 3.074 8.129 -7.085 72 HA GLU 31 HA GLU 31 2.472 5.422 -7.770 73 1HB GLU 31 1HB GLU 31 4.218 7.574 -8.908 74 2HB GLU 31 2HB GLU 31 4.098 5.972 -9.647 75 1HG GLU 31 1HG GLU 31 1.748 6.227 -10.080 76 2HG GLU 31 2HG GLU 31 1.509 7.375 -8.798 77 H ALA 32 H ALA 32 5.271 6.800 -6.213 78 HA ALA 32 HA ALA 32 6.869 4.379 -6.225 79 1HB ALA 32 1HB ALA 32 7.813 6.627 -5.660 80 2HB ALA 32 2HB ALA 32 6.895 6.590 -4.134 81 3HB ALA 32 3HB ALA 32 8.155 5.387 -4.436 82 H GLU 33 H GLU 33 4.526 5.753 -3.882 83 HA GLU 33 HA GLU 33 4.428 3.654 -1.986 84 1HB GLU 33 1HB GLU 33 2.395 5.706 -2.942 85 2HB GLU 33 2HB GLU 33 1.973 4.503 -1.779 86 1HG GLU 33 1HG GLU 33 3.723 5.413 -0.249 87 2HG GLU 33 2HG GLU 33 4.157 6.600 -1.481 88 H GLN 34 H GLN 34 2.574 4.109 -5.054 89 HA GLN 34 HA GLN 34 1.110 1.734 -4.889 90 1HB GLN 34 1HB GLN 34 2.020 3.277 -7.340 91 2HB GLN 34 2HB GLN 34 0.946 1.874 -7.417 92 1HG GLN 34 1HG GLN 34 -0.678 2.938 -5.965 93 2HG GLN 34 2HG GLN 34 0.393 4.273 -5.681 94 1HE2 GLN 34 2HE2 GLN 34 -2.020 4.930 -6.347 95 2HE2 GLN 34 1HE2 GLN 34 -2.100 5.604 -7.958 96 H SER 35 H SER 35 4.332 2.385 -6.320 97 HA SER 35 HA SER 35 4.798 -0.163 -7.489 98 1HB SER 35 1HB SER 35 6.833 1.843 -6.421 99 2HB SER 35 2HB SER 35 7.139 0.526 -7.559 100 HG SER 35 HG SER 35 5.424 2.772 -7.954 101 H VAL 36 H VAL 36 5.371 1.105 -4.186 102 HA VAL 36 HA VAL 36 6.677 -1.262 -3.188 103 HB VAL 36 HB VAL 36 5.144 1.001 -1.812 104 1HG1 VAL 36 1HG1 VAL 36 6.714 -1.274 -0.573 105 2HG1 VAL 36 2HG1 VAL 36 6.217 0.200 0.290 106 3HG1 VAL 36 3HG1 VAL 36 4.993 -0.916 -0.329 107 1HG2 VAL 36 1HG2 VAL 36 7.291 1.653 -2.852 108 2HG2 VAL 36 2HG2 VAL 36 7.352 1.747 -1.098 109 3HG2 VAL 36 3HG2 VAL 36 8.117 0.374 -1.943 110 H LEU 37 H LEU 37 3.254 -0.124 -3.012 111 HA LEU 37 HA LEU 37 2.324 -2.422 -1.654 112 1HB LEU 37 1HB LEU 37 0.812 -0.621 -3.590 113 2HB LEU 37 2HB LEU 37 0.074 -1.841 -2.551 114 HG LEU 37 HG LEU 37 1.543 0.650 -1.603 115 1HD1 LEU 37 1HD1 LEU 37 -1.381 -0.151 -1.627 116 2HD1 LEU 37 2HD1 LEU 37 -0.712 1.222 -0.734 117 3HD1 LEU 37 3HD1 LEU 37 -0.610 1.189 -2.505 118 1HD2 LEU 37 1HD2 LEU 37 0.379 -1.642 -0.014 119 2HD2 LEU 37 2HD2 LEU 37 2.016 -0.977 0.050 120 3HD2 LEU 37 3HD2 LEU 37 0.667 -0.023 0.667 121 H GLY 38 H GLY 38 2.333 -1.847 -5.216 122 1HA GLY 38 1HA GLY 38 1.322 -4.461 -5.849 123 2HA GLY 38 2HA GLY 38 2.236 -3.430 -6.938 124 H GLY 39 H GLY 39 4.671 -3.219 -5.163 125 1HA GLY 39 1HA GLY 39 6.102 -5.506 -5.976 126 2HA GLY 39 2HA GLY 39 6.570 -4.361 -4.701 127 H LEU 40 H LEU 40 4.489 -4.725 -2.884 128 HA LEU 40 HA LEU 40 5.164 -7.150 -1.494 129 1HB LEU 40 1HB LEU 40 2.732 -5.299 -1.220 130 2HB LEU 40 2HB LEU 40 3.152 -6.556 -0.102 131 HG LEU 40 HG LEU 40 4.909 -4.127 -0.667 132 1HD1 LEU 40 1HD1 LEU 40 3.011 -4.728 1.631 133 2HD1 LEU 40 2HD1 LEU 40 4.166 -3.387 1.596 134 3HD1 LEU 40 3HD1 LEU 40 2.845 -3.440 0.425 135 1HD2 LEU 40 1HD2 LEU 40 5.070 -6.405 1.319 136 2HD2 LEU 40 2HD2 LEU 40 6.254 -5.963 0.070 137 3HD2 LEU 40 3HD2 LEU 40 6.009 -4.896 1.453 138 H MET 41 H MET 41 2.414 -6.255 -3.575 139 HA MET 41 HA MET 41 0.990 -8.714 -3.172 140 1HB MET 41 1HB MET 41 0.845 -6.662 -5.424 141 2HB MET 41 2HB MET 41 -0.317 -7.971 -5.194 142 1HG MET 41 1HG MET 41 -1.162 -7.055 -3.185 143 2HG MET 41 2HG MET 41 0.261 -6.069 -2.935 144 1HE MET 41 1HE MET 41 -2.326 -6.472 -5.901 145 2HE MET 41 2HE MET 41 -3.263 -6.264 -4.400 146 3HE MET 41 3HE MET 41 -3.289 -4.996 -5.643 147 H LEU 42 H LEU 42 3.661 -7.838 -5.277 148 HA LEU 42 HA LEU 42 3.374 -10.230 -6.967 149 1HB LEU 42 1HB LEU 42 5.046 -7.749 -7.081 150 2HB LEU 42 2HB LEU 42 5.652 -9.232 -7.807 151 HG LEU 42 HG LEU 42 3.387 -9.458 -9.014 152 1HD1 LEU 42 1HD1 LEU 42 3.198 -6.498 -8.383 153 2HD1 LEU 42 2HD1 LEU 42 2.193 -7.372 -9.537 154 3HD1 LEU 42 3HD1 LEU 42 2.083 -7.727 -7.803 155 1HD2 LEU 42 1HD2 LEU 42 5.493 -8.906 -10.092 156 2HD2 LEU 42 2HD2 LEU 42 4.151 -8.010 -10.822 157 3HD2 LEU 42 3HD2 LEU 42 5.263 -7.183 -9.689 158 H ASP 43 H ASP 43 5.362 -9.167 -4.252 159 HA ASP 43 HA ASP 43 6.218 -11.958 -3.886 160 1HB ASP 43 1HB ASP 43 8.133 -11.081 -5.116 161 2HB ASP 43 2HB ASP 43 8.274 -9.729 -4.009 162 H ASN 44 H ASN 44 5.086 -12.188 -2.157 163 HA ASN 44 HA ASN 44 4.347 -10.341 -0.205 164 1HB ASN 44 1HB ASN 44 4.922 -13.324 0.108 165 2HB ASN 44 2HB ASN 44 4.161 -12.310 1.327 166 1HD2 ASN 44 2HD2 ASN 44 2.112 -12.952 1.436 167 2HD2 ASN 44 1HD2 ASN 44 1.071 -13.268 0.029 168 H GLU 45 H GLU 45 7.358 -12.181 -0.459 169 HA GLU 45 HA GLU 45 8.160 -11.907 2.289 170 1HB GLU 45 1HB GLU 45 9.876 -12.282 -0.203 171 2HB GLU 45 2HB GLU 45 10.418 -12.546 1.452 172 1HG GLU 45 1HG GLU 45 8.212 -14.129 0.084 173 2HG GLU 45 2HG GLU 45 9.894 -14.616 0.156 174 H ARG 46 H ARG 46 8.073 -9.600 -0.269 175 HA ARG 46 HA ARG 46 10.254 -7.913 0.711 176 1HB ARG 46 1HB ARG 46 7.860 -7.189 -1.024 177 2HB ARG 46 2HB ARG 46 9.334 -6.243 -0.857 178 1HG ARG 46 1HG ARG 46 9.289 -9.050 -2.014 179 2HG ARG 46 2HG ARG 46 8.981 -7.632 -2.984 180 1HD ARG 46 1HD ARG 46 11.267 -8.483 -3.201 181 2HD ARG 46 2HD ARG 46 11.177 -6.799 -2.670 182 HE ARG 46 HE ARG 46 11.415 -8.620 -0.458 183 1HH1 ARG 46 1HH1 ARG 46 13.539 -7.718 -3.105 184 2HH1 ARG 46 2HH1 ARG 46 14.893 -7.329 -2.092 185 1HH2 ARG 46 1HH2 ARG 46 13.201 -8.260 0.885 186 2HH2 ARG 46 2HH2 ARG 46 14.729 -7.771 0.251 187 H TRP 47 H TRP 47 7.112 -8.630 1.917 188 HA TRP 47 HA TRP 47 6.298 -6.265 3.152 189 1HB TRP 47 1HB TRP 47 5.093 -8.373 3.371 190 2HB TRP 47 2HB TRP 47 6.411 -9.069 4.316 191 HD1 TRP 47 HD1 TRP 47 6.591 -8.382 6.855 192 HE1 TRP 47 HE1 TRP 47 5.190 -6.945 8.455 193 HE3 TRP 47 HE3 TRP 47 3.591 -6.114 3.417 194 HZ2 TRP 47 HZ2 TRP 47 3.193 -4.850 8.212 195 HZ3 TRP 47 HZ3 TRP 47 2.081 -4.259 4.092 196 HH2 TRP 47 HH2 TRP 47 1.873 -3.628 6.458 197 H ASP 48 H ASP 48 8.875 -8.511 4.246 198 HA ASP 48 HA ASP 48 9.413 -6.940 6.545 199 1HB ASP 48 1HB ASP 48 10.899 -9.106 5.058 200 2HB ASP 48 2HB ASP 48 11.853 -8.095 6.152 201 H ASP 49 H ASP 49 10.741 -6.525 3.269 202 HA ASP 49 HA ASP 49 12.876 -4.822 4.398 203 1HB ASP 49 1HB ASP 49 13.019 -6.336 2.223 204 2HB ASP 49 2HB ASP 49 12.402 -4.883 1.426 205 H VAL 50 H VAL 50 9.826 -4.569 2.756 206 HA VAL 50 HA VAL 50 9.787 -1.714 2.428 207 HB VAL 50 HB VAL 50 7.731 -3.935 2.575 208 1HG1 VAL 50 1HG1 VAL 50 7.298 -0.953 2.046 209 2HG1 VAL 50 2HG1 VAL 50 6.092 -2.215 1.707 210 3HG1 VAL 50 3HG1 VAL 50 6.605 -1.908 3.370 211 1HG2 VAL 50 1HG2 VAL 50 9.167 -3.877 0.538 212 2HG2 VAL 50 2HG2 VAL 50 7.505 -3.453 0.134 213 3HG2 VAL 50 3HG2 VAL 50 8.742 -2.182 0.272 214 H ALA 51 H ALA 51 8.538 -3.961 5.072 215 HA ALA 51 HA ALA 51 7.716 -1.802 6.706 216 1HB ALA 51 1HB ALA 51 6.878 -4.106 6.961 217 2HB ALA 51 2HB ALA 51 8.488 -4.633 7.504 218 3HB ALA 51 3HB ALA 51 7.545 -3.479 8.477 219 H GLU 52 H GLU 52 10.839 -3.122 6.146 220 HA GLU 52 HA GLU 52 12.095 -1.952 8.439 221 1HB GLU 52 1HB GLU 52 13.217 -3.240 5.929 222 2HB GLU 52 2HB GLU 52 14.235 -2.328 7.019 223 1HG GLU 52 1HG GLU 52 13.112 -3.942 8.862 224 2HG GLU 52 2HG GLU 52 13.000 -5.011 7.467 225 H ARG 53 H ARG 53 11.065 -0.839 5.351 226 HA ARG 53 HA ARG 53 12.838 1.553 5.403 227 1HB ARG 53 1HB ARG 53 11.297 0.117 3.282 228 2HB ARG 53 2HB ARG 53 11.236 1.881 3.232 229 1HG ARG 53 1HG ARG 53 13.058 1.260 1.864 230 2HG ARG 53 2HG ARG 53 13.690 1.990 3.337 231 1HD ARG 53 1HD ARG 53 13.999 -0.464 4.169 232 2HD ARG 53 2HD ARG 53 13.723 -0.926 2.479 233 HE ARG 53 HE ARG 53 15.626 1.206 2.647 234 1HH1 ARG 53 1HH1 ARG 53 15.459 -2.379 2.799 235 2HH1 ARG 53 2HH1 ARG 53 17.158 -2.547 3.060 236 1HH2 ARG 53 1HH2 ARG 53 17.883 0.858 2.674 237 2HH2 ARG 53 2HH2 ARG 53 18.512 -0.763 2.894 238 H VAL 54 H VAL 54 9.379 0.588 5.462 239 HA VAL 54 HA VAL 54 8.691 3.321 6.365 240 HB VAL 54 HB VAL 54 6.685 3.008 4.865 241 1HG1 VAL 54 1HG1 VAL 54 8.441 4.625 4.352 242 2HG1 VAL 54 2HG1 VAL 54 9.358 3.363 3.496 243 3HG1 VAL 54 3HG1 VAL 54 7.788 3.904 2.871 244 1HG2 VAL 54 1HG2 VAL 54 6.943 0.617 4.299 245 2HG2 VAL 54 2HG2 VAL 54 6.773 1.672 2.885 246 3HG2 VAL 54 3HG2 VAL 54 8.366 1.035 3.321 247 H VAL 55 H VAL 55 6.642 3.506 7.308 248 HA VAL 55 HA VAL 55 5.390 0.978 8.234 249 HB VAL 55 HB VAL 55 4.629 2.249 10.249 250 1HG1 VAL 55 1HG1 VAL 55 6.551 0.660 10.279 251 2HG1 VAL 55 2HG1 VAL 55 7.659 2.015 10.002 252 3HG1 VAL 55 3HG1 VAL 55 6.694 1.933 11.491 253 1HG2 VAL 55 1HG2 VAL 55 5.017 4.577 9.359 254 2HG2 VAL 55 2HG2 VAL 55 5.703 4.285 10.962 255 3HG2 VAL 55 3HG2 VAL 55 6.759 4.310 9.540 256 H ALA 56 H ALA 56 2.967 1.415 8.597 257 HA ALA 56 HA ALA 56 1.777 2.225 6.229 258 1HB ALA 56 1HB ALA 56 0.636 0.995 8.129 259 2HB ALA 56 2HB ALA 56 0.486 2.547 8.974 260 3HB ALA 56 3HB ALA 56 -0.343 2.301 7.425 261 H ASP 57 H ASP 57 2.561 4.259 9.016 262 HA ASP 57 HA ASP 57 1.060 6.531 8.265 263 1HB ASP 57 1HB ASP 57 2.613 5.705 10.465 264 2HB ASP 57 2HB ASP 57 3.463 7.124 9.873 265 H ASP 58 H ASP 58 4.117 5.441 6.941 266 HA ASP 58 HA ASP 58 5.135 8.051 6.206 267 1HB ASP 58 1HB ASP 58 5.768 5.197 5.365 268 2HB ASP 58 2HB ASP 58 6.505 6.594 4.617 269 H PHE 59 H PHE 59 2.862 5.696 4.860 270 HA PHE 59 HA PHE 59 2.849 6.727 2.150 271 1HB PHE 59 1HB PHE 59 0.877 5.007 3.699 272 2HB PHE 59 2HB PHE 59 0.716 5.414 2.010 273 HD1 PHE 59 HD1 PHE 59 3.032 3.694 4.444 274 HD2 PHE 59 HD2 PHE 59 1.663 4.012 0.375 275 HE1 PHE 59 HE1 PHE 59 4.358 1.712 3.853 276 HE2 PHE 59 HE2 PHE 59 3.007 2.009 -0.232 277 HZ PHE 59 HZ PHE 59 4.357 0.854 1.517 278 H TYR 60 H TYR 60 1.901 8.608 1.540 279 HA TYR 60 HA TYR 60 0.435 10.211 3.512 280 1HB TYR 60 1HB TYR 60 1.915 11.266 1.846 281 2HB TYR 60 2HB TYR 60 0.936 10.610 0.530 282 HD1 TYR 60 HD1 TYR 60 0.613 12.660 3.655 283 HD2 TYR 60 HD2 TYR 60 -0.850 11.937 -0.343 284 HE1 TYR 60 HE1 TYR 60 -0.924 14.561 3.894 285 HE2 TYR 60 HE2 TYR 60 -2.375 13.882 -0.133 286 HH TYR 60 HH TYR 60 -2.839 15.648 2.924 287 H THR 61 H THR 61 -0.319 8.224 0.676 288 HA THR 61 HA THR 61 -2.922 9.231 0.261 289 HB THR 61 HB THR 61 -2.282 6.670 -0.789 290 HG1 THR 61 HG1 THR 61 -0.186 7.470 -0.988 291 1HG2 THR 61 1HG2 THR 61 -4.162 8.075 -1.633 292 2HG2 THR 61 2HG2 THR 61 -2.964 9.265 -2.170 293 3HG2 THR 61 3HG2 THR 61 -2.985 7.644 -2.889 294 H ARG 62 H ARG 62 -4.702 8.903 1.483 295 HA ARG 62 HA ARG 62 -5.074 7.036 3.509 296 1HB ARG 62 1HB ARG 62 -6.844 8.746 1.867 297 2HB ARG 62 2HB ARG 62 -7.653 7.314 2.466 298 1HG ARG 62 1HG ARG 62 -6.086 9.175 4.299 299 2HG ARG 62 2HG ARG 62 -7.790 9.371 3.895 300 1HD ARG 62 1HD ARG 62 -8.164 6.979 4.722 301 2HD ARG 62 2HD ARG 62 -6.547 7.073 5.446 302 HE ARG 62 HE ARG 62 -7.760 9.395 6.266 303 1HH1 ARG 62 1HH1 ARG 62 -8.828 5.980 6.772 304 2HH1 ARG 62 2HH1 ARG 62 -10.287 6.527 7.554 305 1HH2 ARG 62 1HH2 ARG 62 -9.163 9.840 7.911 306 2HH2 ARG 62 2HH2 ARG 62 -10.349 8.708 8.438 307 HA PRO 63 HA PRO 63 -7.040 3.759 0.661 308 1HB PRO 63 1HB PRO 63 -6.253 3.707 -2.019 309 2HB PRO 63 2HB PRO 63 -7.799 4.354 -1.396 310 1HG PRO 63 1HG PRO 63 -5.266 5.873 -2.051 311 2HG PRO 63 2HG PRO 63 -6.959 6.302 -2.459 312 1HD PRO 63 1HD PRO 63 -5.746 7.459 -0.355 313 2HD PRO 63 2HD PRO 63 -7.433 6.928 -0.213 314 H HIS 64 H HIS 64 -3.723 4.947 -0.339 315 HA HIS 64 HA HIS 64 -2.655 2.314 -0.484 316 1HB HIS 64 1HB HIS 64 -1.233 4.908 0.200 317 2HB HIS 64 2HB HIS 64 -0.463 3.403 -0.236 318 HD1 HIS 64 HD1 HIS 64 0.200 5.800 -1.938 319 HD2 HIS 64 HD2 HIS 64 -3.030 3.226 -2.743 320 HE1 HIS 64 HE1 HIS 64 -0.256 5.968 -4.471 321 H ARG 65 H ARG 65 -3.103 4.516 2.321 322 HA ARG 65 HA ARG 65 -1.764 2.752 4.169 323 1HB ARG 65 1HB ARG 65 -3.765 5.021 4.582 324 2HB ARG 65 2HB ARG 65 -3.198 3.991 5.900 325 1HG ARG 65 1HG ARG 65 -0.818 4.511 5.007 326 2HG ARG 65 2HG ARG 65 -1.560 5.869 4.163 327 1HD ARG 65 1HD ARG 65 -1.572 5.342 7.176 328 2HD ARG 65 2HD ARG 65 -0.552 6.501 6.332 329 HE ARG 65 HE ARG 65 -2.395 7.868 5.823 330 1HH1 ARG 65 1HH1 ARG 65 -3.099 5.521 8.407 331 2HH1 ARG 65 2HH1 ARG 65 -4.763 6.040 8.553 332 1HH2 ARG 65 1HH2 ARG 65 -4.339 8.760 6.357 333 2HH2 ARG 65 2HH2 ARG 65 -5.285 8.162 7.724 334 H HIS 66 H HIS 66 -5.284 3.052 3.307 335 HA HIS 66 HA HIS 66 -6.206 0.968 4.857 336 1HB HIS 66 1HB HIS 66 -6.939 1.821 2.013 337 2HB HIS 66 2HB HIS 66 -7.792 0.559 2.867 338 HD1 HIS 66 HD1 HIS 66 -8.194 4.208 2.357 339 HD2 HIS 66 HD2 HIS 66 -8.722 1.259 5.274 340 HE1 HIS 66 HE1 HIS 66 -9.781 5.210 4.018 341 H ILE 67 H ILE 67 -4.904 0.492 1.466 342 HA ILE 67 HA ILE 67 -4.827 -2.284 1.584 343 HB ILE 67 HB ILE 67 -2.997 -0.282 0.191 344 1HG1 ILE 67 1HG1 ILE 67 -4.268 -1.719 -1.757 345 2HG1 ILE 67 2HG1 ILE 67 -5.487 -1.815 -0.476 346 1HG2 ILE 67 1HG2 ILE 67 -2.966 -3.322 0.044 347 2HG2 ILE 67 2HG2 ILE 67 -2.202 -2.271 -1.170 348 3HG2 ILE 67 3HG2 ILE 67 -1.647 -2.249 0.498 349 1HD1 ILE 67 1HD1 ILE 67 -4.356 0.840 -1.372 350 2HD1 ILE 67 2HD1 ILE 67 -5.672 0.051 -2.241 351 3HD1 ILE 67 3HD1 ILE 67 -5.913 0.457 -0.552 352 H PHE 68 H PHE 68 -2.096 -0.086 2.600 353 HA PHE 68 HA PHE 68 -0.440 -2.180 3.376 354 1HB PHE 68 1HB PHE 68 0.043 0.334 3.094 355 2HB PHE 68 2HB PHE 68 -0.477 0.522 4.762 356 HD1 PHE 68 HD1 PHE 68 0.867 -0.642 6.607 357 HD2 PHE 68 HD2 PHE 68 2.141 -0.656 2.491 358 HE1 PHE 68 HE1 PHE 68 3.157 -1.263 7.307 359 HE2 PHE 68 HE2 PHE 68 4.412 -1.287 3.196 360 HZ PHE 68 HZ PHE 68 4.947 -1.577 5.617 361 H THR 69 H THR 69 -3.003 -0.608 5.307 362 HA THR 69 HA THR 69 -2.283 -1.830 7.836 363 HB THR 69 HB THR 69 -4.907 -0.635 6.785 364 HG1 THR 69 HG1 THR 69 -3.324 0.852 6.607 365 1HG2 THR 69 1HG2 THR 69 -3.899 -1.003 9.632 366 2HG2 THR 69 2HG2 THR 69 -5.330 -0.053 9.164 367 3HG2 THR 69 3HG2 THR 69 -5.311 -1.798 8.884 368 H GLU 70 H GLU 70 -4.399 -2.807 5.102 369 HA GLU 70 HA GLU 70 -5.288 -5.093 6.664 370 1HB GLU 70 1HB GLU 70 -6.688 -3.828 4.916 371 2HB GLU 70 2HB GLU 70 -5.704 -4.633 3.692 372 1HG GLU 70 1HG GLU 70 -7.752 -5.905 4.061 373 2HG GLU 70 2HG GLU 70 -6.390 -6.847 4.632 374 H MET 71 H MET 71 -2.765 -4.417 4.271 375 HA MET 71 HA MET 71 -1.928 -7.128 3.849 376 1HB MET 71 1HB MET 71 -0.346 -4.525 3.901 377 2HB MET 71 2HB MET 71 0.330 -6.091 3.449 378 1HG MET 71 1HG MET 71 -1.235 -6.276 1.582 379 2HG MET 71 2HG MET 71 -1.991 -4.755 2.012 380 1HE MET 71 1HE MET 71 -1.325 -4.828 -0.792 381 2HE MET 71 2HE MET 71 0.326 -4.478 -1.337 382 3HE MET 71 3HE MET 71 -0.066 -6.074 -0.658 383 H ALA 72 H ALA 72 -0.887 -4.654 6.276 384 HA ALA 72 HA ALA 72 0.796 -6.285 7.801 385 1HB ALA 72 1HB ALA 72 0.510 -3.814 8.158 386 2HB ALA 72 2HB ALA 72 -1.093 -4.109 8.844 387 3HB ALA 72 3HB ALA 72 0.353 -4.738 9.655 388 H ARG 73 H ARG 73 -2.712 -5.733 8.199 389 HA ARG 73 HA ARG 73 -3.146 -7.531 10.342 390 1HB ARG 73 1HB ARG 73 -4.822 -5.869 9.397 391 2HB ARG 73 2HB ARG 73 -5.043 -6.947 8.015 392 1HG ARG 73 1HG ARG 73 -5.707 -8.765 9.699 393 2HG ARG 73 2HG ARG 73 -5.729 -7.466 10.918 394 1HD ARG 73 1HD ARG 73 -7.381 -6.274 9.409 395 2HD ARG 73 2HD ARG 73 -7.300 -7.695 8.349 396 HE ARG 73 HE ARG 73 -7.998 -8.264 11.115 397 1HH1 ARG 73 1HH1 ARG 73 -9.201 -7.691 7.802 398 2HH1 ARG 73 2HH1 ARG 73 -10.773 -8.330 8.106 399 1HH2 ARG 73 1HH2 ARG 73 -10.140 -9.042 11.555 400 2HH2 ARG 73 2HH2 ARG 73 -11.315 -9.128 10.283 401 H LEU 74 H LEU 74 -3.322 -8.225 6.786 402 HA LEU 74 HA LEU 74 -4.138 -10.880 7.065 403 1HB LEU 74 1HB LEU 74 -2.809 -9.189 4.942 404 2HB LEU 74 2HB LEU 74 -2.876 -10.915 4.692 405 HG LEU 74 HG LEU 74 -5.345 -9.279 5.368 406 1HD1 LEU 74 1HD1 LEU 74 -4.223 -10.044 2.638 407 2HD1 LEU 74 2HD1 LEU 74 -5.842 -9.393 2.931 408 3HD1 LEU 74 3HD1 LEU 74 -4.419 -8.408 3.296 409 1HD2 LEU 74 1HD2 LEU 74 -4.877 -12.088 4.276 410 2HD2 LEU 74 2HD2 LEU 74 -5.666 -11.651 5.804 411 3HD2 LEU 74 3HD2 LEU 74 -6.464 -11.304 4.278 412 H GLN 75 H GLN 75 -0.874 -9.511 6.627 413 HA GLN 75 HA GLN 75 0.517 -11.955 6.694 414 1HB GLN 75 1HB GLN 75 1.211 -9.461 6.122 415 2HB GLN 75 2HB GLN 75 1.509 -9.295 7.835 416 1HG GLN 75 1HG GLN 75 3.591 -9.788 6.917 417 2HG GLN 75 2HG GLN 75 3.076 -11.318 7.629 418 1HE2 GLN 75 2HE2 GLN 75 4.059 -9.693 4.755 419 2HE2 GLN 75 1HE2 GLN 75 4.001 -11.079 3.702 420 H GLU 76 H GLU 76 -0.494 -9.759 9.312 421 HA GLU 76 HA GLU 76 0.666 -11.193 11.484 422 1HB GLU 76 1HB GLU 76 -0.193 -8.884 11.647 423 2HB GLU 76 2HB GLU 76 -1.836 -9.455 11.397 424 1HG GLU 76 1HG GLU 76 -1.574 -9.027 13.715 425 2HG GLU 76 2HG GLU 76 -1.691 -10.767 13.521 426 H SER 77 H SER 77 -2.363 -11.730 9.691 427 HA SER 77 HA SER 77 -3.040 -14.056 11.378 428 1HB SER 77 1HB SER 77 -5.008 -14.258 9.883 429 2HB SER 77 2HB SER 77 -4.894 -12.728 10.745 430 HG SER 77 HG SER 77 -3.649 -12.570 8.338 431 H GLY 78 H GLY 78 -0.620 -13.759 9.174 432 1HA GLY 78 1HA GLY 78 0.647 -15.396 8.209 433 2HA GLY 78 2HA GLY 78 -0.414 -16.610 8.944 434 H SER 79 H SER 79 -1.465 -13.984 6.855 435 HA SER 79 HA SER 79 -2.407 -15.946 4.811 436 1HB SER 79 1HB SER 79 -3.801 -13.461 5.869 437 2HB SER 79 2HB SER 79 -4.383 -14.490 4.546 438 HG SER 79 HG SER 79 -3.885 -15.337 7.227 439 HA PRO 80 HA PRO 80 0.081 -13.577 2.178 440 1HB PRO 80 1HB PRO 80 -1.281 -13.741 -0.295 441 2HB PRO 80 2HB PRO 80 -0.185 -14.959 0.384 442 1HG PRO 80 1HG PRO 80 -3.174 -14.867 0.459 443 2HG PRO 80 2HG PRO 80 -2.118 -16.291 0.243 444 1HD PRO 80 1HD PRO 80 -3.319 -15.690 2.625 445 2HD PRO 80 2HD PRO 80 -1.688 -16.427 2.546 446 H ILE 81 H ILE 81 0.287 -11.656 0.930 447 HA ILE 81 HA ILE 81 -1.905 -9.714 1.283 448 HB ILE 81 HB ILE 81 -0.135 -8.043 1.461 449 1HG1 ILE 81 1HG1 ILE 81 1.875 -10.327 1.304 450 2HG1 ILE 81 2HG1 ILE 81 1.605 -9.099 0.062 451 1HG2 ILE 81 1HG2 ILE 81 -1.025 -9.319 3.461 452 2HG2 ILE 81 2HG2 ILE 81 0.426 -10.329 3.407 453 3HG2 ILE 81 3HG2 ILE 81 0.560 -8.589 3.710 454 1HD1 ILE 81 1HD1 ILE 81 2.231 -7.346 1.777 455 2HD1 ILE 81 2HD1 ILE 81 2.698 -8.662 2.867 456 3HD1 ILE 81 3HD1 ILE 81 3.545 -8.465 1.327 457 H ASP 82 H ASP 82 -1.327 -11.648 -0.942 458 HA ASP 82 HA ASP 82 -0.867 -9.899 -3.252 459 1HB ASP 82 1HB ASP 82 -1.122 -11.686 -4.651 460 2HB ASP 82 2HB ASP 82 -0.364 -12.426 -3.248 461 H LEU 83 H LEU 83 -2.614 -9.906 -4.950 462 HA LEU 83 HA LEU 83 -4.476 -8.072 -4.070 463 1HB LEU 83 1HB LEU 83 -3.731 -8.175 -6.363 464 2HB LEU 83 2HB LEU 83 -4.485 -9.748 -6.585 465 HG LEU 83 HG LEU 83 -6.681 -8.918 -6.567 466 1HD1 LEU 83 1HD1 LEU 83 -5.490 -6.258 -5.785 467 2HD1 LEU 83 2HD1 LEU 83 -7.196 -6.538 -6.285 468 3HD1 LEU 83 3HD1 LEU 83 -6.602 -7.212 -4.786 469 1HD2 LEU 83 1HD2 LEU 83 -5.265 -8.463 -8.606 470 2HD2 LEU 83 2HD2 LEU 83 -6.625 -7.335 -8.419 471 3HD2 LEU 83 3HD2 LEU 83 -4.985 -6.826 -7.982 472 H ILE 84 H ILE 84 -5.354 -11.604 -4.916 473 HA ILE 84 HA ILE 84 -8.053 -10.981 -4.537 474 HB ILE 84 HB ILE 84 -6.563 -13.622 -4.355 475 1HG1 ILE 84 1HG1 ILE 84 -5.904 -12.414 -6.398 476 2HG1 ILE 84 2HG1 ILE 84 -6.843 -13.795 -6.720 477 1HG2 ILE 84 1HG2 ILE 84 -9.482 -13.030 -5.030 478 2HG2 ILE 84 2HG2 ILE 84 -8.671 -14.602 -5.253 479 3HG2 ILE 84 3HG2 ILE 84 -8.855 -13.914 -3.635 480 1HD1 ILE 84 1HD1 ILE 84 -8.868 -12.250 -7.070 481 2HD1 ILE 84 2HD1 ILE 84 -7.751 -10.893 -6.835 482 3HD1 ILE 84 3HD1 ILE 84 -7.525 -11.990 -8.198 483 H THR 85 H THR 85 -5.705 -12.450 -2.279 484 HA THR 85 HA THR 85 -7.528 -12.707 -0.183 485 HB THR 85 HB THR 85 -4.508 -12.386 -0.101 486 HG1 THR 85 HG1 THR 85 -6.091 -14.737 -0.041 487 1HG2 THR 85 1HG2 THR 85 -6.448 -13.609 1.933 488 2HG2 THR 85 2HG2 THR 85 -4.673 -13.723 1.999 489 3HG2 THR 85 3HG2 THR 85 -5.460 -12.149 2.133 490 H LEU 86 H LEU 86 -5.432 -10.048 -1.081 491 HA LEU 86 HA LEU 86 -5.934 -8.297 1.112 492 1HB LEU 86 1HB LEU 86 -4.166 -7.932 -0.600 493 2HB LEU 86 2HB LEU 86 -5.374 -7.683 -1.823 494 HG LEU 86 HG LEU 86 -6.215 -5.658 -0.594 495 1HD1 LEU 86 1HD1 LEU 86 -3.712 -6.109 1.086 496 2HD1 LEU 86 2HD1 LEU 86 -4.696 -4.627 1.089 497 3HD1 LEU 86 3HD1 LEU 86 -5.387 -6.141 1.669 498 1HD2 LEU 86 1HD2 LEU 86 -4.727 -5.542 -2.534 499 2HD2 LEU 86 2HD2 LEU 86 -4.407 -4.238 -1.391 500 3HD2 LEU 86 3HD2 LEU 86 -3.311 -5.644 -1.470 501 H ALA 87 H ALA 87 -7.465 -8.397 -2.048 502 HA ALA 87 HA ALA 87 -9.418 -6.413 -1.610 503 1HB ALA 87 1HB ALA 87 -9.601 -8.906 -3.366 504 2HB ALA 87 2HB ALA 87 -10.651 -7.481 -3.476 505 3HB ALA 87 3HB ALA 87 -8.920 -7.339 -3.845 506 H GLU 88 H GLU 88 -9.707 -9.980 -1.212 507 HA GLU 88 HA GLU 88 -12.341 -9.968 -0.178 508 1HB GLU 88 1HB GLU 88 -10.017 -11.903 0.102 509 2HB GLU 88 2HB GLU 88 -11.622 -12.240 0.768 510 1HG GLU 88 1HG GLU 88 -12.658 -12.162 -1.409 511 2HG GLU 88 2HG GLU 88 -11.187 -11.584 -2.178 512 H SER 89 H SER 89 -9.223 -9.428 1.484 513 HA SER 89 HA SER 89 -10.444 -9.714 4.073 514 1HB SER 89 1HB SER 89 -7.958 -9.998 3.363 515 2HB SER 89 2HB SER 89 -7.843 -8.262 3.631 516 HG SER 89 HG SER 89 -8.331 -8.571 5.737 517 H LEU 90 H LEU 90 -9.616 -6.997 1.933 518 HA LEU 90 HA LEU 90 -10.490 -4.907 3.697 519 1HB LEU 90 1HB LEU 90 -10.152 -5.164 0.702 520 2HB LEU 90 2HB LEU 90 -10.922 -3.742 1.381 521 HG LEU 90 HG LEU 90 -8.189 -4.712 2.325 522 1HD1 LEU 90 1HD1 LEU 90 -8.082 -4.289 -0.078 523 2HD1 LEU 90 2HD1 LEU 90 -8.758 -2.670 0.196 524 3HD1 LEU 90 3HD1 LEU 90 -7.157 -3.092 0.845 525 1HD2 LEU 90 1HD2 LEU 90 -9.564 -1.981 2.520 526 2HD2 LEU 90 2HD2 LEU 90 -9.275 -3.099 3.870 527 3HD2 LEU 90 3HD2 LEU 90 -7.908 -2.343 3.060 528 H GLU 91 H GLU 91 -12.308 -6.982 1.332 529 HA GLU 91 HA GLU 91 -14.801 -5.870 1.954 530 1HB GLU 91 1HB GLU 91 -13.835 -7.854 0.240 531 2HB GLU 91 2HB GLU 91 -14.759 -8.800 1.425 532 1HG GLU 91 1HG GLU 91 -16.604 -7.074 1.150 533 2HG GLU 91 2HG GLU 91 -15.648 -6.372 -0.167 534 H ARG 92 H ARG 92 -13.021 -8.532 3.624 535 HA ARG 92 HA ARG 92 -15.008 -8.918 5.648 536 1HB ARG 92 1HB ARG 92 -11.991 -9.351 5.806 537 2HB ARG 92 2HB ARG 92 -13.125 -9.720 7.100 538 1HG ARG 92 1HG ARG 92 -14.410 -11.161 5.504 539 2HG ARG 92 2HG ARG 92 -13.119 -10.983 4.323 540 1HD ARG 92 1HD ARG 92 -12.626 -12.053 7.135 541 2HD ARG 92 2HD ARG 92 -13.223 -13.073 5.847 542 HE ARG 92 HE ARG 92 -11.260 -13.054 4.717 543 1HH1 ARG 92 1HH1 ARG 92 -10.844 -11.424 7.865 544 2HH1 ARG 92 2HH1 ARG 92 -9.109 -11.341 7.690 545 1HH2 ARG 92 1HH2 ARG 92 -8.949 -13.465 4.996 546 2HH2 ARG 92 2HH2 ARG 92 -8.088 -12.464 6.125 547 H GLN 93 H GLN 93 -12.726 -6.267 5.196 548 HA GLN 93 HA GLN 93 -13.485 -5.022 7.769 549 1HB GLN 93 1HB GLN 93 -11.822 -3.941 5.460 550 2HB GLN 93 2HB GLN 93 -12.004 -3.194 7.033 551 1HG GLN 93 1HG GLN 93 -10.754 -5.938 6.704 552 2HG GLN 93 2HG GLN 93 -9.880 -4.418 6.566 553 1HE2 GLN 93 2HE2 GLN 93 -8.614 -4.633 8.353 554 2HE2 GLN 93 1HE2 GLN 93 -9.189 -4.530 10.023 555 H GLY 94 H GLY 94 -15.036 -5.245 4.739 556 1HA GLY 94 1HA GLY 94 -16.855 -4.156 3.896 557 2HA GLY 94 2HA GLY 94 -16.951 -3.211 5.393 558 H GLN 95 H GLN 95 -14.008 -3.218 3.456 559 HA GLN 95 HA GLN 95 -14.467 -0.379 2.694 560 1HB GLN 95 1HB GLN 95 -12.254 -1.597 4.350 561 2HB GLN 95 2HB GLN 95 -12.029 -0.067 3.486 562 1HG GLN 95 1HG GLN 95 -13.834 1.001 4.632 563 2HG GLN 95 2HG GLN 95 -14.394 -0.499 5.350 564 1HE2 GLN 95 2HE2 GLN 95 -13.275 -1.430 7.146 565 2HE2 GLN 95 1HE2 GLN 95 -12.116 -0.483 8.068 566 H LEU 96 H LEU 96 -14.275 -3.134 1.214 567 HA LEU 96 HA LEU 96 -12.008 -2.927 -0.568 568 1HB LEU 96 1HB LEU 96 -13.224 -5.003 -0.221 569 2HB LEU 96 2HB LEU 96 -14.695 -4.279 -0.885 570 HG LEU 96 HG LEU 96 -13.668 -4.080 -3.097 571 1HD1 LEU 96 1HD1 LEU 96 -11.158 -5.113 -1.724 572 2HD1 LEU 96 2HD1 LEU 96 -11.394 -5.162 -3.484 573 3HD1 LEU 96 3HD1 LEU 96 -11.335 -3.608 -2.646 574 1HD2 LEU 96 1HD2 LEU 96 -14.710 -6.211 -2.346 575 2HD2 LEU 96 2HD2 LEU 96 -13.469 -6.443 -3.579 576 3HD2 LEU 96 3HD2 LEU 96 -13.111 -6.814 -1.881 577 H ASP 97 H ASP 97 -15.337 -1.672 -0.539 578 HA ASP 97 HA ASP 97 -15.284 -0.352 -3.085 579 1HB ASP 97 1HB ASP 97 -17.345 -0.677 -1.879 580 2HB ASP 97 2HB ASP 97 -16.781 0.330 -0.541 581 H SER 98 H SER 98 -14.649 0.864 0.198 582 HA SER 98 HA SER 98 -13.925 3.442 -0.340 583 1HB SER 98 1HB SER 98 -13.677 1.547 1.871 584 2HB SER 98 2HB SER 98 -12.271 2.607 1.828 585 HG SER 98 HG SER 98 -14.701 3.134 2.709 586 H VAL 99 H VAL 99 -11.771 0.657 -0.906 587 HA VAL 99 HA VAL 99 -9.432 2.455 -1.033 588 HB VAL 99 HB VAL 99 -8.186 0.402 -1.583 589 1HG1 VAL 99 1HG1 VAL 99 -8.683 1.255 0.751 590 2HG1 VAL 99 2HG1 VAL 99 -9.920 0.014 0.897 591 3HG1 VAL 99 3HG1 VAL 99 -8.224 -0.452 0.652 592 1HG2 VAL 99 1HG2 VAL 99 -10.184 -0.781 -2.704 593 2HG2 VAL 99 2HG2 VAL 99 -9.180 -1.760 -1.657 594 3HG2 VAL 99 3HG2 VAL 99 -10.731 -1.162 -1.059 595 H GLY 100 H GLY 100 -11.920 1.810 -3.164 596 1HA GLY 100 1HA GLY 100 -11.709 2.915 -5.378 597 2HA GLY 100 2HA GLY 100 -10.154 2.130 -5.558 598 H GLY 101 H GLY 101 -13.063 0.618 -4.147 599 1HA GLY 101 1HA GLY 101 -14.451 -1.038 -4.844 600 2HA GLY 101 2HA GLY 101 -14.303 -0.235 -6.413 601 H PHE 102 H PHE 102 -11.824 -2.154 -4.710 602 HA PHE 102 HA PHE 102 -10.591 -3.959 -5.356 603 1HB PHE 102 1HB PHE 102 -12.956 -4.962 -5.790 604 2HB PHE 102 2HB PHE 102 -12.586 -4.752 -7.491 605 HD1 PHE 102 HD1 PHE 102 -9.701 -5.677 -7.702 606 HD2 PHE 102 HD2 PHE 102 -13.070 -7.270 -5.513 607 HE1 PHE 102 HE1 PHE 102 -8.641 -7.881 -7.640 608 HE2 PHE 102 HE2 PHE 102 -11.950 -9.465 -5.418 609 HZ PHE 102 HZ PHE 102 -9.685 -9.748 -6.433 610 H ALA 103 H ALA 103 -12.034 -2.294 -8.212 611 HA ALA 103 HA ALA 103 -10.165 -2.924 -10.122 612 1HB ALA 103 1HB ALA 103 -12.264 -1.719 -10.571 613 2HB ALA 103 2HB ALA 103 -11.611 -0.267 -9.772 614 3HB ALA 103 3HB ALA 103 -10.882 -0.860 -11.276 615 H TYR 104 H TYR 104 -9.877 -0.186 -7.754 616 HA TYR 104 HA TYR 104 -7.429 0.735 -8.933 617 1HB TYR 104 1HB TYR 104 -8.959 1.933 -7.308 618 2HB TYR 104 2HB TYR 104 -8.158 1.044 -6.017 619 HD1 TYR 104 HD1 TYR 104 -7.035 2.961 -9.122 620 HD2 TYR 104 HD2 TYR 104 -6.714 2.488 -4.834 621 HE1 TYR 104 HE1 TYR 104 -5.526 4.893 -9.022 622 HE2 TYR 104 HE2 TYR 104 -5.207 4.446 -4.738 623 HH TYR 104 HH TYR 104 -4.182 6.265 -7.652 624 H LEU 105 H LEU 105 -8.031 -1.893 -6.639 625 HA LEU 105 HA LEU 105 -5.257 -2.250 -5.828 626 1HB LEU 105 1HB LEU 105 -7.373 -4.415 -5.939 627 2HB LEU 105 2HB LEU 105 -5.919 -4.338 -4.949 628 HG LEU 105 HG LEU 105 -8.342 -2.550 -4.531 629 1HD1 LEU 105 1HD1 LEU 105 -7.353 -5.001 -2.995 630 2HD1 LEU 105 2HD1 LEU 105 -8.713 -3.955 -2.532 631 3HD1 LEU 105 3HD1 LEU 105 -8.805 -4.922 -4.011 632 1HD2 LEU 105 1HD2 LEU 105 -5.747 -2.987 -2.990 633 2HD2 LEU 105 2HD2 LEU 105 -6.241 -1.500 -3.828 634 3HD2 LEU 105 3HD2 LEU 105 -7.119 -2.041 -2.392 635 H ALA 106 H ALA 106 -7.422 -3.566 -8.351 636 HA ALA 106 HA ALA 106 -5.415 -5.268 -9.560 637 1HB ALA 106 1HB ALA 106 -7.808 -5.630 -9.935 638 2HB ALA 106 2HB ALA 106 -7.938 -4.046 -10.735 639 3HB ALA 106 3HB ALA 106 -6.958 -5.337 -11.462 640 H GLU 107 H GLU 107 -5.833 -1.799 -9.530 641 HA GLU 107 HA GLU 107 -4.197 -1.405 -11.913 642 1HB GLU 107 1HB GLU 107 -5.969 0.259 -10.710 643 2HB GLU 107 2HB GLU 107 -4.506 0.776 -9.876 644 1HG GLU 107 1HG GLU 107 -4.799 2.159 -11.817 645 2HG GLU 107 2HG GLU 107 -3.401 1.121 -12.093 646 H LEU 108 H LEU 108 -3.749 -1.319 -8.350 647 HA LEU 108 HA LEU 108 -0.968 -0.817 -8.261 648 1HB LEU 108 1HB LEU 108 -2.443 -2.784 -6.458 649 2HB LEU 108 2HB LEU 108 -0.890 -2.052 -6.148 650 HG LEU 108 HG LEU 108 -3.528 -0.542 -6.280 651 1HD1 LEU 108 1HD1 LEU 108 -3.399 -2.070 -4.347 652 2HD1 LEU 108 2HD1 LEU 108 -1.839 -1.369 -3.891 653 3HD1 LEU 108 3HD1 LEU 108 -3.313 -0.375 -3.840 654 1HD2 LEU 108 1HD2 LEU 108 -0.739 0.357 -5.464 655 2HD2 LEU 108 2HD2 LEU 108 -1.661 0.906 -6.886 656 3HD2 LEU 108 3HD2 LEU 108 -2.234 1.307 -5.262 657 H SER 109 H SER 109 -2.658 -3.930 -8.465 658 HA SER 109 HA SER 109 -0.315 -5.547 -8.686 659 1HB SER 109 1HB SER 109 -2.866 -6.011 -8.025 660 2HB SER 109 2HB SER 109 -2.996 -6.468 -9.723 661 HG SER 109 HG SER 109 -1.517 -8.080 -9.377 662 H LYS 110 H LYS 110 -1.403 -3.357 -10.915 663 HA LYS 110 HA LYS 110 -0.217 -4.905 -13.172 664 1HB LYS 110 1HB LYS 110 -2.599 -4.811 -13.481 665 2HB LYS 110 2HB LYS 110 -2.619 -3.067 -13.201 666 1HG LYS 110 1HG LYS 110 -1.509 -2.628 -15.298 667 2HG LYS 110 2HG LYS 110 -1.121 -4.332 -15.519 668 1HD LYS 110 1HD LYS 110 -3.011 -3.424 -16.936 669 2HD LYS 110 2HD LYS 110 -3.336 -4.915 -16.035 670 1HE LYS 110 1HE LYS 110 -4.570 -3.729 -14.342 671 2HE LYS 110 2HE LYS 110 -4.140 -2.153 -15.027 672 1HZ LYS 110 1HZ LYS 110 -5.756 -4.175 -16.462 673 2HZ LYS 110 2HZ LYS 110 -6.387 -2.935 -15.577 674 3HZ LYS 110 3HZ LYS 110 -5.496 -2.597 -16.894 675 H ASN 111 H ASN 111 -0.154 -1.973 -11.376 676 HA ASN 111 HA ASN 111 1.628 -0.739 -13.381 677 1HB ASN 111 1HB ASN 111 1.512 1.340 -12.134 678 2HB ASN 111 2HB ASN 111 -0.104 0.788 -12.494 679 1HD2 ASN 111 2HD2 ASN 111 -1.086 2.023 -10.813 680 2HD2 ASN 111 1HD2 ASN 111 -0.811 1.621 -9.130 681 H THR 112 H THR 112 2.215 -2.987 -11.559 682 HA THR 112 HA THR 112 4.310 -1.999 -9.839 683 HB THR 112 HB THR 112 4.232 -4.877 -10.613 684 HG1 THR 112 HG1 THR 112 2.329 -3.437 -9.081 685 1HG2 THR 112 1HG2 THR 112 5.979 -4.009 -9.096 686 2HG2 THR 112 2HG2 THR 112 4.732 -3.376 -8.012 687 3HG2 THR 112 3HG2 THR 112 4.904 -5.128 -8.260 688 HA PRO 113 HA PRO 113 7.428 -2.193 -13.187 689 1HB PRO 113 1HB PRO 113 9.537 -1.098 -11.854 690 2HB PRO 113 2HB PRO 113 8.137 -0.115 -12.352 691 1HG PRO 113 1HG PRO 113 8.585 -1.415 -9.649 692 2HG PRO 113 2HG PRO 113 8.225 0.316 -9.990 693 1HD PRO 113 1HD PRO 113 6.298 -1.469 -9.314 694 2HD PRO 113 2HD PRO 113 5.984 -0.187 -10.522 695 H SER 114 H SER 114 6.612 -4.556 -11.891 696 HA SER 114 HA SER 114 7.122 -6.501 -10.871 697 1HB SER 114 1HB SER 114 8.078 -6.488 -13.229 698 2HB SER 114 2HB SER 114 9.679 -6.351 -12.469 699 HG SER 114 HG SER 114 9.222 -8.483 -12.778 700 H ALA 115 H ALA 115 7.852 -4.349 -9.153 701 HA ALA 115 HA ALA 115 8.956 -3.851 -7.257 702 1HB ALA 115 1HB ALA 115 8.131 -6.165 -6.673 703 2HB ALA 115 2HB ALA 115 9.721 -6.796 -7.122 704 3HB ALA 115 3HB ALA 115 9.572 -5.661 -5.777 705 H ALA 116 H ALA 116 10.576 -3.977 -9.950 706 HA ALA 116 HA ALA 116 13.029 -4.961 -9.807 707 1HB ALA 116 1HB ALA 116 12.143 -3.800 -11.758 708 2HB ALA 116 2HB ALA 116 12.344 -2.223 -10.957 709 3HB ALA 116 3HB ALA 116 13.759 -3.213 -11.372 710 H ASN 117 H ASN 117 12.339 -1.683 -8.504 711 HA ASN 117 HA ASN 117 14.858 -1.819 -6.881 712 1HB ASN 117 1HB ASN 117 13.674 0.566 -8.321 713 2HB ASN 117 2HB ASN 117 14.929 0.641 -7.080 714 1HD2 ASN 117 2HD2 ASN 117 15.565 1.774 -9.484 715 2HD2 ASN 117 1HD2 ASN 117 16.782 0.742 -10.237 716 H ILE 118 H ILE 118 12.677 -2.994 -5.864 717 HA ILE 118 HA ILE 118 10.727 -1.610 -4.564 718 HB ILE 118 HB ILE 118 11.057 -4.027 -4.711 719 1HG1 ILE 118 1HG1 ILE 118 10.112 -4.753 -2.574 720 2HG1 ILE 118 2HG1 ILE 118 10.586 -3.229 -1.820 721 1HG2 ILE 118 1HG2 ILE 118 13.478 -4.116 -4.039 722 2HG2 ILE 118 2HG2 ILE 118 12.898 -4.135 -2.353 723 3HG2 ILE 118 3HG2 ILE 118 12.440 -5.402 -3.502 724 1HD1 ILE 118 1HD1 ILE 118 8.652 -3.450 -4.172 725 2HD1 ILE 118 2HD1 ILE 118 8.156 -3.381 -2.468 726 3HD1 ILE 118 3HD1 ILE 118 8.989 -1.999 -3.195 727 H SER 119 H SER 119 13.806 -2.307 -3.202 728 HA SER 119 HA SER 119 13.409 -0.905 -0.740 729 1HB SER 119 1HB SER 119 15.391 -2.403 -1.096 730 2HB SER 119 2HB SER 119 16.065 -1.211 -2.221 731 HG SER 119 HG SER 119 15.812 0.268 -0.212 732 H ALA 120 H ALA 120 14.412 0.285 -3.874 733 HA ALA 120 HA ALA 120 15.122 2.934 -2.894 734 1HB ALA 120 1HB ALA 120 15.956 1.920 -5.102 735 2HB ALA 120 2HB ALA 120 14.324 2.259 -5.746 736 3HB ALA 120 3HB ALA 120 15.337 3.584 -5.182 737 H TYR 121 H TYR 121 12.107 1.446 -4.272 738 HA TYR 121 HA TYR 121 10.666 3.889 -4.353 739 1HB TYR 121 1HB TYR 121 9.530 1.144 -3.731 740 2HB TYR 121 2HB TYR 121 8.719 2.506 -4.471 741 HD1 TYR 121 HD1 TYR 121 11.065 3.105 -6.534 742 HD2 TYR 121 HD2 TYR 121 8.910 -0.448 -5.347 743 HE1 TYR 121 HE1 TYR 121 11.691 2.023 -8.647 744 HE2 TYR 121 HE2 TYR 121 9.552 -1.544 -7.468 745 HH TYR 121 HH TYR 121 11.059 0.227 -10.074 746 H ALA 122 H ALA 122 10.857 1.308 -1.849 747 HA ALA 122 HA ALA 122 9.150 2.720 -0.016 748 1HB ALA 122 1HB ALA 122 9.551 0.257 0.019 749 2HB ALA 122 2HB ALA 122 11.221 0.545 0.546 750 3HB ALA 122 3HB ALA 122 9.849 1.014 1.583 751 H ASP 123 H ASP 123 12.713 2.711 -0.422 752 HA ASP 123 HA ASP 123 13.348 4.275 1.878 753 1HB ASP 123 1HB ASP 123 14.708 3.934 -0.833 754 2HB ASP 123 2HB ASP 123 15.305 5.047 0.377 755 H ILE 124 H ILE 124 12.407 5.164 -1.499 756 HA ILE 124 HA ILE 124 12.681 7.977 -1.073 757 HB ILE 124 HB ILE 124 11.319 6.250 -3.146 758 1HG1 ILE 124 1HG1 ILE 124 13.468 8.394 -3.409 759 2HG1 ILE 124 2HG1 ILE 124 13.867 6.751 -2.918 760 1HG2 ILE 124 1HG2 ILE 124 11.124 9.287 -3.019 761 2HG2 ILE 124 2HG2 ILE 124 10.777 8.320 -4.468 762 3HG2 ILE 124 3HG2 ILE 124 9.784 8.131 -3.029 763 1HD1 ILE 124 1HD1 ILE 124 12.857 5.910 -5.060 764 2HD1 ILE 124 2HD1 ILE 124 12.702 7.614 -5.567 765 3HD1 ILE 124 3HD1 ILE 124 14.292 6.919 -5.234 766 H VAL 125 H VAL 125 9.795 5.808 -0.718 767 HA VAL 125 HA VAL 125 7.996 7.911 -0.052 768 HB VAL 125 HB VAL 125 8.053 4.976 0.747 769 1HG1 VAL 125 1HG1 VAL 125 5.741 6.959 1.021 770 2HG1 VAL 125 2HG1 VAL 125 5.643 5.201 1.276 771 3HG1 VAL 125 3HG1 VAL 125 6.618 6.191 2.358 772 1HG2 VAL 125 1HG2 VAL 125 7.805 5.422 -1.702 773 2HG2 VAL 125 2HG2 VAL 125 6.335 4.740 -1.010 774 3HG2 VAL 125 3HG2 VAL 125 6.436 6.480 -1.363 775 H ARG 126 H ARG 126 10.089 5.882 2.090 776 HA ARG 126 HA ARG 126 9.510 7.207 4.527 777 1HB ARG 126 1HB ARG 126 10.790 5.125 4.348 778 2HB ARG 126 2HB ARG 126 12.124 5.936 3.557 779 1HG ARG 126 1HG ARG 126 11.203 6.797 6.320 780 2HG ARG 126 2HG ARG 126 12.233 5.381 6.094 781 1HD ARG 126 1HD ARG 126 13.936 6.755 4.944 782 2HD ARG 126 2HD ARG 126 12.976 8.206 5.295 783 HE ARG 126 HE ARG 126 13.409 6.661 7.671 784 1HH1 ARG 126 1HH1 ARG 126 15.090 8.934 5.492 785 2HH1 ARG 126 2HH1 ARG 126 15.974 9.715 6.755 786 1HH2 ARG 126 1HH2 ARG 126 14.825 7.503 9.320 787 2HH2 ARG 126 2HH2 ARG 126 16.015 8.666 8.903 788 H GLU 127 H GLU 127 12.053 7.982 2.087 789 HA GLU 127 HA GLU 127 13.125 10.092 3.585 790 1HB GLU 127 1HB GLU 127 13.788 8.835 1.174 791 2HB GLU 127 2HB GLU 127 13.301 10.417 0.629 792 1HG GLU 127 1HG GLU 127 15.570 10.654 1.020 793 2HG GLU 127 2HG GLU 127 14.887 11.320 2.504 794 H ARG 128 H ARG 128 10.483 10.158 1.166 795 HA ARG 128 HA ARG 128 10.357 13.083 1.235 796 1HB ARG 128 1HB ARG 128 8.145 11.202 0.313 797 2HB ARG 128 2HB ARG 128 8.258 12.930 0.041 798 1HG ARG 128 1HG ARG 128 9.759 10.710 -1.305 799 2HG ARG 128 2HG ARG 128 8.866 12.048 -2.004 800 1HD ARG 128 1HD ARG 128 10.621 13.607 -1.547 801 2HD ARG 128 2HD ARG 128 11.510 12.401 -0.600 802 HE ARG 128 HE ARG 128 10.920 11.922 -3.483 803 1HH1 ARG 128 1HH1 ARG 128 13.426 12.387 -0.929 804 2HH1 ARG 128 2HH1 ARG 128 14.620 11.540 -1.863 805 1HH2 ARG 128 1HH2 ARG 128 12.702 11.021 -4.736 806 2HH2 ARG 128 2HH2 ARG 128 14.289 11.133 -4.066 807 H ALA 129 H ALA 129 8.672 10.432 2.998 808 HA ALA 129 HA ALA 129 6.892 12.117 4.438 809 1HB ALA 129 1HB ALA 129 6.654 9.664 4.305 810 2HB ALA 129 2HB ALA 129 8.143 9.453 5.242 811 3HB ALA 129 3HB ALA 129 6.723 10.207 5.992 812 H VAL 130 H VAL 130 10.245 11.004 5.227 813 HA VAL 130 HA VAL 130 10.390 12.475 7.679 814 HB VAL 130 HB VAL 130 12.506 11.268 5.868 815 1HG1 VAL 130 1HG1 VAL 130 12.883 12.544 8.617 816 2HG1 VAL 130 2HG1 VAL 130 14.080 11.525 7.786 817 3HG1 VAL 130 3HG1 VAL 130 13.620 13.082 7.092 818 1HG2 VAL 130 1HG2 VAL 130 11.302 10.490 8.577 819 2HG2 VAL 130 2HG2 VAL 130 11.041 9.648 7.035 820 3HG2 VAL 130 3HG2 VAL 130 12.632 9.643 7.791 821 H VAL 131 H VAL 131 11.244 13.430 4.321 822 HA VAL 131 HA VAL 131 12.199 16.008 5.156 823 HB VAL 131 HB VAL 131 11.172 14.883 2.568 824 1HG1 VAL 131 1HG1 VAL 131 11.840 17.820 2.992 825 2HG1 VAL 131 2HG1 VAL 131 11.660 17.014 1.412 826 3HG1 VAL 131 3HG1 VAL 131 10.277 17.156 2.495 827 1HG2 VAL 131 1HG2 VAL 131 13.513 14.473 3.352 828 2HG2 VAL 131 2HG2 VAL 131 13.511 15.492 1.900 829 3HG2 VAL 131 3HG2 VAL 131 13.775 16.217 3.490 830 H ARG 132 H ARG 132 8.905 14.770 4.656 831 HA ARG 132 HA ARG 132 7.681 17.334 5.034 832 1HB ARG 132 1HB ARG 132 6.676 14.981 4.175 833 2HB ARG 132 2HB ARG 132 6.281 14.790 5.878 834 1HG ARG 132 1HG ARG 132 4.354 15.740 4.839 835 2HG ARG 132 2HG ARG 132 5.113 17.065 5.744 836 1HD ARG 132 1HD ARG 132 6.323 17.608 3.533 837 2HD ARG 132 2HD ARG 132 5.194 16.504 2.747 838 HE ARG 132 HE ARG 132 3.380 17.952 3.770 839 1HH1 ARG 132 1HH1 ARG 132 6.439 19.234 2.555 840 2HH1 ARG 132 2HH1 ARG 132 6.103 20.903 2.875 841 1HH2 ARG 132 1HH2 ARG 132 2.637 20.142 3.631 842 2HH2 ARG 132 2HH2 ARG 132 3.724 21.432 3.309 843 H GLU 133 H GLU 133 8.789 14.903 7.290 844 HA GLU 133 HA GLU 133 7.756 16.237 9.630 845 1HB GLU 133 1HB GLU 133 8.409 14.477 10.755 846 2HB GLU 133 2HB GLU 133 8.771 13.759 9.215 847 1HG GLU 133 1HG GLU 133 10.576 13.262 10.640 848 2HG GLU 133 2HG GLU 133 11.197 14.457 9.528 849 H MET 134 H MET 134 10.780 16.476 7.794 850 HA MET 134 HA MET 134 12.018 18.407 9.543 851 1HB MET 134 1HB MET 134 12.518 17.325 6.774 852 2HB MET 134 2HB MET 134 13.368 18.781 7.256 853 1HG MET 134 1HG MET 134 13.396 16.281 8.974 854 2HG MET 134 2HG MET 134 14.560 16.578 7.676 855 1HE MET 134 1HE MET 134 16.557 16.313 9.339 856 2HE MET 134 2HE MET 134 16.819 17.320 10.779 857 3HE MET 134 3HE MET 134 15.515 16.120 10.768 858 H ILE 135 H ILE 135 9.289 18.803 7.720 859 HA ILE 135 HA ILE 135 7.959 20.495 7.259 860 HB ILE 135 HB ILE 135 9.838 22.158 8.949 861 1HG1 ILE 135 1HG1 ILE 135 7.582 21.349 10.515 862 2HG1 ILE 135 2HG1 ILE 135 8.130 19.897 9.729 863 1HG2 ILE 135 1HG2 ILE 135 6.872 22.523 8.401 864 2HG2 ILE 135 2HG2 ILE 135 7.813 23.441 9.593 865 3HG2 ILE 135 3HG2 ILE 135 8.194 23.607 7.896 866 1HD1 ILE 135 1HD1 ILE 135 9.869 21.790 11.391 867 2HD1 ILE 135 2HD1 ILE 135 9.212 20.234 11.924 868 3HD1 ILE 135 3HD1 ILE 135 10.435 20.294 10.642 869 H SER 136 H SER 136 11.212 20.865 6.146 870 HA SER 136 HA SER 136 10.659 23.314 4.626 871 1HB SER 136 1HB SER 136 13.175 21.636 4.973 872 2HB SER 136 2HB SER 136 13.087 23.246 4.241 873 HG SER 136 HG SER 136 13.731 23.265 6.428 Start of MODEL 14 1 1H MET 23 1H MET 23 -0.554 27.955 -3.886 2 2H MET 23 2H MET 23 -0.691 28.069 -2.230 3 3H MET 23 3H MET 23 0.738 27.638 -2.927 4 HA MET 23 HA MET 23 -0.312 25.734 -2.005 5 1HB MET 23 1HB MET 23 -2.645 26.549 -2.175 6 2HB MET 23 2HB MET 23 -2.569 26.417 -3.939 7 1HG MET 23 1HG MET 23 -2.154 23.980 -3.733 8 2HG MET 23 2HG MET 23 -2.221 24.110 -1.977 9 1HE MET 23 1HE MET 23 -4.260 23.811 -0.622 10 2HE MET 23 2HE MET 23 -4.588 25.530 -0.964 11 3HE MET 23 3HE MET 23 -5.884 24.320 -1.122 12 H LYS 24 H LYS 24 0.505 23.864 -2.874 13 HA LYS 24 HA LYS 24 0.729 23.593 -5.775 14 1HB LYS 24 1HB LYS 24 3.134 22.988 -5.627 15 2HB LYS 24 2HB LYS 24 2.801 24.659 -5.244 16 1HG LYS 24 1HG LYS 24 4.370 24.105 -3.662 17 2HG LYS 24 2HG LYS 24 2.906 23.971 -2.732 18 1HD LYS 24 1HD LYS 24 2.962 21.624 -2.735 19 2HD LYS 24 2HD LYS 24 4.070 21.525 -4.120 20 1HE LYS 24 1HE LYS 24 4.870 22.735 -1.448 21 2HE LYS 24 2HE LYS 24 5.049 21.008 -1.798 22 1HZ LYS 24 1HZ LYS 24 6.269 23.091 -3.501 23 2HZ LYS 24 2HZ LYS 24 7.056 22.401 -2.232 24 3HZ LYS 24 3HZ LYS 24 6.609 21.471 -3.473 25 H VAL 25 H VAL 25 1.621 21.210 -6.209 26 HA VAL 25 HA VAL 25 -0.282 19.525 -4.920 27 HB VAL 25 HB VAL 25 0.658 19.252 -7.206 28 1HG1 VAL 25 1HG1 VAL 25 3.080 19.361 -6.678 29 2HG1 VAL 25 2HG1 VAL 25 2.950 17.788 -5.861 30 3HG1 VAL 25 3HG1 VAL 25 2.618 17.913 -7.604 31 1HG2 VAL 25 1HG2 VAL 25 -0.741 17.530 -6.047 32 2HG2 VAL 25 2HG2 VAL 25 0.390 16.825 -7.202 33 3HG2 VAL 25 3HG2 VAL 25 0.738 16.755 -5.457 34 HA PRO 26 HA PRO 26 2.017 19.414 -1.245 35 1HB PRO 26 1HB PRO 26 0.685 17.568 0.275 36 2HB PRO 26 2HB PRO 26 0.008 19.153 -0.177 37 1HG PRO 26 1HG PRO 26 -0.521 16.468 -1.444 38 2HG PRO 26 2HG PRO 26 -1.685 17.775 -1.057 39 1HD PRO 26 1HD PRO 26 -0.582 17.356 -3.562 40 2HD PRO 26 2HD PRO 26 -1.147 18.951 -3.001 41 HA PRO 27 HA PRO 27 5.135 16.405 -1.743 42 1HB PRO 27 1HB PRO 27 6.321 16.185 0.717 43 2HB PRO 27 2HB PRO 27 6.428 17.653 -0.303 44 1HG PRO 27 1HG PRO 27 4.533 17.105 1.996 45 2HG PRO 27 2HG PRO 27 5.501 18.575 1.707 46 1HD PRO 27 1HD PRO 27 2.872 18.410 0.977 47 2HD PRO 27 2HD PRO 27 4.058 19.301 -0.025 48 H HIS 28 H HIS 28 4.434 14.412 -2.253 49 HA HIS 28 HA HIS 28 4.131 12.437 -0.163 50 1HB HIS 28 1HB HIS 28 1.981 11.572 -1.137 51 2HB HIS 28 2HB HIS 28 1.863 13.027 -0.151 52 HD1 HIS 28 HD1 HIS 28 2.703 13.287 -3.909 53 HD2 HIS 28 HD2 HIS 28 -0.402 13.855 -1.136 54 HE1 HIS 28 HE1 HIS 28 0.786 14.435 -5.173 55 H SER 29 H SER 29 4.689 10.434 -0.914 56 HA SER 29 HA SER 29 6.197 10.435 -3.386 57 1HB SER 29 1HB SER 29 5.823 8.384 -1.185 58 2HB SER 29 2HB SER 29 7.092 8.366 -2.438 59 HG SER 29 HG SER 29 7.958 9.393 -0.608 60 H ILE 30 H ILE 30 3.126 10.268 -3.421 61 HA ILE 30 HA ILE 30 1.825 8.040 -3.725 62 HB ILE 30 HB ILE 30 1.824 10.508 -5.455 63 1HG1 ILE 30 1HG1 ILE 30 0.124 9.228 -3.304 64 2HG1 ILE 30 2HG1 ILE 30 0.942 10.785 -3.297 65 1HG2 ILE 30 1HG2 ILE 30 1.062 8.710 -7.084 66 2HG2 ILE 30 2HG2 ILE 30 -0.300 8.394 -6.005 67 3HG2 ILE 30 3HG2 ILE 30 -0.083 9.970 -6.761 68 1HD1 ILE 30 1HD1 ILE 30 -0.711 11.497 -5.112 69 2HD1 ILE 30 2HD1 ILE 30 -1.576 9.972 -4.777 70 3HD1 ILE 30 3HD1 ILE 30 -1.396 11.187 -3.496 71 H GLU 31 H GLU 31 3.885 9.132 -6.395 72 HA GLU 31 HA GLU 31 3.061 6.968 -8.088 73 1HB GLU 31 1HB GLU 31 5.263 9.040 -8.228 74 2HB GLU 31 2HB GLU 31 4.860 7.912 -9.534 75 1HG GLU 31 1HG GLU 31 2.440 8.700 -9.428 76 2HG GLU 31 2HG GLU 31 2.818 9.770 -8.118 77 H ALA 32 H ALA 32 5.724 7.375 -5.952 78 HA ALA 32 HA ALA 32 6.990 4.787 -6.503 79 1HB ALA 32 1HB ALA 32 8.256 6.726 -5.523 80 2HB ALA 32 2HB ALA 32 7.269 6.593 -4.051 81 3HB ALA 32 3HB ALA 32 8.327 5.264 -4.525 82 H GLU 33 H GLU 33 4.758 6.140 -4.042 83 HA GLU 33 HA GLU 33 4.403 3.897 -2.378 84 1HB GLU 33 1HB GLU 33 2.411 6.044 -3.190 85 2HB GLU 33 2HB GLU 33 2.083 4.847 -1.966 86 1HG GLU 33 1HG GLU 33 3.823 5.702 -0.542 87 2HG GLU 33 2HG GLU 33 4.421 6.760 -1.823 88 H GLN 34 H GLN 34 2.675 4.745 -5.395 89 HA GLN 34 HA GLN 34 0.884 2.671 -5.451 90 1HB GLN 34 1HB GLN 34 2.224 4.208 -7.695 91 2HB GLN 34 2HB GLN 34 1.082 2.903 -8.035 92 1HG GLN 34 1HG GLN 34 -0.618 4.029 -6.584 93 2HG GLN 34 2HG GLN 34 0.474 5.370 -6.364 94 1HE2 GLN 34 2HE2 GLN 34 1.063 6.653 -8.276 95 2HE2 GLN 34 1HE2 GLN 34 -0.039 6.746 -9.635 96 H SER 35 H SER 35 4.189 2.784 -6.941 97 HA SER 35 HA SER 35 4.284 0.128 -7.880 98 1HB SER 35 1HB SER 35 6.517 2.039 -7.077 99 2HB SER 35 2HB SER 35 6.704 0.585 -8.071 100 HG SER 35 HG SER 35 6.294 2.867 -9.038 101 H VAL 36 H VAL 36 4.987 1.418 -4.643 102 HA VAL 36 HA VAL 36 6.276 -1.032 -3.736 103 HB VAL 36 HB VAL 36 4.942 1.243 -2.182 104 1HG1 VAL 36 1HG1 VAL 36 6.682 -1.011 -1.102 105 2HG1 VAL 36 2HG1 VAL 36 6.147 0.402 -0.187 106 3HG1 VAL 36 3HG1 VAL 36 4.954 -0.773 -0.756 107 1HG2 VAL 36 1HG2 VAL 36 6.998 1.902 -3.380 108 2HG2 VAL 36 2HG2 VAL 36 7.212 1.954 -1.638 109 3HG2 VAL 36 3HG2 VAL 36 7.895 0.604 -2.577 110 H LEU 37 H LEU 37 2.954 0.293 -3.435 111 HA LEU 37 HA LEU 37 2.013 -1.986 -1.971 112 1HB LEU 37 1HB LEU 37 0.538 0.088 -3.631 113 2HB LEU 37 2HB LEU 37 -0.252 -1.065 -2.552 114 HG LEU 37 HG LEU 37 1.877 0.920 -1.614 115 1HD1 LEU 37 1HD1 LEU 37 -1.136 1.148 -1.569 116 2HD1 LEU 37 2HD1 LEU 37 0.019 2.220 -0.733 117 3HD1 LEU 37 3HD1 LEU 37 0.005 2.152 -2.505 118 1HD2 LEU 37 1HD2 LEU 37 -0.132 -0.696 -0.012 119 2HD2 LEU 37 2HD2 LEU 37 1.617 -0.979 -0.070 120 3HD2 LEU 37 3HD2 LEU 37 0.990 0.515 0.621 121 H GLY 38 H GLY 38 1.931 -1.208 -5.456 122 1HA GLY 38 1HA GLY 38 0.639 -3.578 -6.375 123 2HA GLY 38 2HA GLY 38 1.842 -2.605 -7.253 124 H GLY 39 H GLY 39 4.158 -2.829 -5.761 125 1HA GLY 39 1HA GLY 39 5.110 -5.354 -6.562 126 2HA GLY 39 2HA GLY 39 5.939 -4.202 -5.519 127 H LEU 40 H LEU 40 3.800 -4.329 -3.405 128 HA LEU 40 HA LEU 40 4.756 -6.637 -1.972 129 1HB LEU 40 1HB LEU 40 2.549 -4.635 -1.481 130 2HB LEU 40 2HB LEU 40 2.870 -5.959 -0.356 131 HG LEU 40 HG LEU 40 5.020 -3.977 -1.181 132 1HD1 LEU 40 1HD1 LEU 40 3.113 -3.874 1.180 133 2HD1 LEU 40 2HD1 LEU 40 4.549 -2.852 1.015 134 3HD1 LEU 40 3HD1 LEU 40 3.230 -2.717 -0.154 135 1HD2 LEU 40 1HD2 LEU 40 5.268 -6.425 0.177 136 2HD2 LEU 40 2HD2 LEU 40 6.426 -5.073 0.199 137 3HD2 LEU 40 3HD2 LEU 40 5.224 -5.217 1.463 138 H MET 41 H MET 41 1.984 -6.175 -4.055 139 HA MET 41 HA MET 41 0.762 -8.748 -3.325 140 1HB MET 41 1HB MET 41 0.465 -7.200 -5.933 141 2HB MET 41 2HB MET 41 -0.600 -8.457 -5.303 142 1HG MET 41 1HG MET 41 -1.296 -6.971 -3.463 143 2HG MET 41 2HG MET 41 -0.153 -5.740 -4.018 144 1HE MET 41 1HE MET 41 -2.627 -4.404 -3.596 145 2HE MET 41 2HE MET 41 -1.397 -3.665 -4.647 146 3HE MET 41 3HE MET 41 -3.100 -3.694 -5.157 147 H LEU 42 H LEU 42 3.062 -7.450 -5.650 148 HA LEU 42 HA LEU 42 3.268 -9.695 -7.392 149 1HB LEU 42 1HB LEU 42 3.740 -7.048 -7.516 150 2HB LEU 42 2HB LEU 42 5.391 -7.612 -7.351 151 HG LEU 42 HG LEU 42 3.424 -8.715 -9.423 152 1HD1 LEU 42 1HD1 LEU 42 5.329 -6.366 -9.655 153 2HD1 LEU 42 2HD1 LEU 42 4.408 -7.113 -11.001 154 3HD1 LEU 42 3HD1 LEU 42 3.550 -6.317 -9.678 155 1HD2 LEU 42 1HD2 LEU 42 6.468 -8.768 -9.201 156 2HD2 LEU 42 2HD2 LEU 42 5.344 -10.146 -9.244 157 3HD2 LEU 42 3HD2 LEU 42 5.585 -9.177 -10.686 158 H ASP 43 H ASP 43 5.033 -8.767 -4.500 159 HA ASP 43 HA ASP 43 6.363 -11.382 -4.358 160 1HB ASP 43 1HB ASP 43 8.039 -9.910 -5.469 161 2HB ASP 43 2HB ASP 43 7.989 -8.822 -4.076 162 H ASN 44 H ASN 44 5.699 -12.072 -2.468 163 HA ASN 44 HA ASN 44 4.496 -10.122 -0.617 164 1HB ASN 44 1HB ASN 44 4.326 -13.152 -0.549 165 2HB ASN 44 2HB ASN 44 3.274 -11.995 0.247 166 1HD2 ASN 44 2HD2 ASN 44 2.527 -10.176 -1.804 167 2HD2 ASN 44 1HD2 ASN 44 1.885 -11.050 -3.157 168 H GLU 45 H GLU 45 7.409 -11.887 -0.930 169 HA GLU 45 HA GLU 45 7.899 -12.184 2.001 170 1HB GLU 45 1HB GLU 45 9.452 -12.928 -0.505 171 2HB GLU 45 2HB GLU 45 10.134 -13.044 1.108 172 1HG GLU 45 1HG GLU 45 7.483 -14.335 1.020 173 2HG GLU 45 2HG GLU 45 8.571 -14.985 -0.206 174 H ARG 46 H ARG 46 8.639 -9.986 -0.664 175 HA ARG 46 HA ARG 46 10.751 -8.653 0.859 176 1HB ARG 46 1HB ARG 46 9.163 -7.865 -1.592 177 2HB ARG 46 2HB ARG 46 10.416 -6.848 -0.849 178 1HG ARG 46 1HG ARG 46 11.972 -8.883 -1.121 179 2HG ARG 46 2HG ARG 46 10.701 -9.620 -2.083 180 1HD ARG 46 1HD ARG 46 12.084 -8.590 -3.655 181 2HD ARG 46 2HD ARG 46 10.740 -7.448 -3.505 182 HE ARG 46 HE ARG 46 12.240 -6.257 -1.765 183 1HH1 ARG 46 1HH1 ARG 46 13.724 -7.984 -4.527 184 2HH1 ARG 46 2HH1 ARG 46 15.326 -7.493 -4.038 185 1HH2 ARG 46 1HH2 ARG 46 14.236 -5.433 -1.402 186 2HH2 ARG 46 2HH2 ARG 46 15.595 -5.888 -2.400 187 H TRP 47 H TRP 47 7.519 -9.000 1.493 188 HA TRP 47 HA TRP 47 6.651 -6.496 2.436 189 1HB TRP 47 1HB TRP 47 5.206 -8.444 2.524 190 2HB TRP 47 2HB TRP 47 6.321 -9.284 3.603 191 HD1 TRP 47 HD1 TRP 47 6.317 -8.677 6.134 192 HE1 TRP 47 HE1 TRP 47 4.874 -7.242 7.664 193 HE3 TRP 47 HE3 TRP 47 3.604 -6.164 2.576 194 HZ2 TRP 47 HZ2 TRP 47 3.218 -4.894 7.367 195 HZ3 TRP 47 HZ3 TRP 47 2.237 -4.202 3.240 196 HH2 TRP 47 HH2 TRP 47 2.055 -3.549 5.607 197 H ASP 48 H ASP 48 8.904 -8.874 4.002 198 HA ASP 48 HA ASP 48 9.133 -7.250 6.391 199 1HB ASP 48 1HB ASP 48 10.777 -9.475 5.081 200 2HB ASP 48 2HB ASP 48 11.434 -8.612 6.453 201 H ASP 49 H ASP 49 10.708 -6.978 3.375 202 HA ASP 49 HA ASP 49 12.978 -5.392 4.407 203 1HB ASP 49 1HB ASP 49 13.809 -6.493 2.619 204 2HB ASP 49 2HB ASP 49 12.233 -6.825 1.939 205 H VAL 50 H VAL 50 10.087 -4.956 2.425 206 HA VAL 50 HA VAL 50 10.143 -2.107 2.308 207 HB VAL 50 HB VAL 50 8.040 -4.278 2.012 208 1HG1 VAL 50 1HG1 VAL 50 7.832 -1.293 1.336 209 2HG1 VAL 50 2HG1 VAL 50 6.721 -2.540 0.731 210 3HG1 VAL 50 3HG1 VAL 50 6.805 -2.202 2.465 211 1HG2 VAL 50 1HG2 VAL 50 9.910 -4.274 0.342 212 2HG2 VAL 50 2HG2 VAL 50 8.368 -3.856 -0.379 213 3HG2 VAL 50 3HG2 VAL 50 9.559 -2.578 -0.021 214 H ALA 51 H ALA 51 8.554 -4.369 4.689 215 HA ALA 51 HA ALA 51 7.345 -2.230 6.121 216 1HB ALA 51 1HB ALA 51 6.505 -4.551 6.296 217 2HB ALA 51 2HB ALA 51 8.031 -5.056 7.057 218 3HB ALA 51 3HB ALA 51 6.947 -3.927 7.895 219 H GLU 52 H GLU 52 10.629 -3.433 6.154 220 HA GLU 52 HA GLU 52 11.200 -1.682 8.349 221 1HB GLU 52 1HB GLU 52 12.713 -3.786 6.864 222 2HB GLU 52 2HB GLU 52 13.652 -2.521 7.668 223 1HG GLU 52 1HG GLU 52 11.434 -4.073 9.068 224 2HG GLU 52 2HG GLU 52 13.125 -4.537 9.079 225 H ARG 53 H ARG 53 10.811 -1.260 5.074 226 HA ARG 53 HA ARG 53 12.673 1.066 4.966 227 1HB ARG 53 1HB ARG 53 10.665 0.007 2.935 228 2HB ARG 53 2HB ARG 53 11.547 1.507 2.745 229 1HG ARG 53 1HG ARG 53 12.897 -1.222 2.916 230 2HG ARG 53 2HG ARG 53 12.452 -0.389 1.438 231 1HD ARG 53 1HD ARG 53 14.651 0.228 1.619 232 2HD ARG 53 2HD ARG 53 13.855 1.609 2.377 233 HE ARG 53 HE ARG 53 14.577 -0.525 4.225 234 1HH1 ARG 53 1HH1 ARG 53 15.810 2.392 2.563 235 2HH1 ARG 53 2HH1 ARG 53 17.241 2.470 3.515 236 1HH2 ARG 53 1HH2 ARG 53 16.543 -0.364 5.449 237 2HH2 ARG 53 2HH2 ARG 53 17.424 1.144 5.447 238 H VAL 54 H VAL 54 9.190 0.239 5.269 239 HA VAL 54 HA VAL 54 8.608 3.027 6.047 240 HB VAL 54 HB VAL 54 6.619 2.749 4.509 241 1HG1 VAL 54 1HG1 VAL 54 8.454 4.267 3.964 242 2HG1 VAL 54 2HG1 VAL 54 9.321 2.947 3.143 243 3HG1 VAL 54 3HG1 VAL 54 7.765 3.507 2.517 244 1HG2 VAL 54 1HG2 VAL 54 6.809 0.317 4.026 245 2HG2 VAL 54 2HG2 VAL 54 6.647 1.349 2.596 246 3HG2 VAL 54 3HG2 VAL 54 8.228 0.685 3.014 247 H VAL 55 H VAL 55 6.369 3.263 6.824 248 HA VAL 55 HA VAL 55 5.054 0.792 7.816 249 HB VAL 55 HB VAL 55 4.345 2.022 9.833 250 1HG1 VAL 55 1HG1 VAL 55 6.372 0.550 9.834 251 2HG1 VAL 55 2HG1 VAL 55 7.386 1.983 9.601 252 3HG1 VAL 55 3HG1 VAL 55 6.417 1.808 11.075 253 1HG2 VAL 55 1HG2 VAL 55 4.592 4.367 8.983 254 2HG2 VAL 55 2HG2 VAL 55 5.366 4.105 10.545 255 3HG2 VAL 55 3HG2 VAL 55 6.347 4.186 9.076 256 H ALA 56 H ALA 56 2.639 1.405 8.335 257 HA ALA 56 HA ALA 56 1.339 2.179 6.054 258 1HB ALA 56 1HB ALA 56 0.239 1.076 7.989 259 2HB ALA 56 2HB ALA 56 0.377 2.574 8.930 260 3HB ALA 56 3HB ALA 56 -0.657 2.516 7.489 261 H ASP 57 H ASP 57 2.292 4.364 8.733 262 HA ASP 57 HA ASP 57 0.784 6.601 7.754 263 1HB ASP 57 1HB ASP 57 3.052 6.345 9.749 264 2HB ASP 57 2HB ASP 57 2.353 7.913 9.322 265 H ASP 58 H ASP 58 3.838 5.339 6.586 266 HA ASP 58 HA ASP 58 4.861 7.884 5.753 267 1HB ASP 58 1HB ASP 58 5.551 5.035 4.946 268 2HB ASP 58 2HB ASP 58 6.417 6.477 4.455 269 H PHE 59 H PHE 59 2.572 5.535 4.503 270 HA PHE 59 HA PHE 59 2.559 6.500 1.750 271 1HB PHE 59 1HB PHE 59 0.617 4.741 3.309 272 2HB PHE 59 2HB PHE 59 0.524 5.110 1.600 273 HD1 PHE 59 HD1 PHE 59 2.561 3.394 4.211 274 HD2 PHE 59 HD2 PHE 59 1.952 3.947 -0.009 275 HE1 PHE 59 HE1 PHE 59 4.141 1.564 3.756 276 HE2 PHE 59 HE2 PHE 59 3.518 2.086 -0.480 277 HZ PHE 59 HZ PHE 59 4.602 0.868 1.414 278 H TYR 60 H TYR 60 1.351 8.188 0.989 279 HA TYR 60 HA TYR 60 0.227 9.906 3.059 280 1HB TYR 60 1HB TYR 60 1.641 10.840 1.282 281 2HB TYR 60 2HB TYR 60 0.459 10.333 0.060 282 HD1 TYR 60 HD1 TYR 60 1.013 12.519 3.028 283 HD2 TYR 60 HD2 TYR 60 -1.639 11.578 -0.247 284 HE1 TYR 60 HE1 TYR 60 -0.521 14.322 3.745 285 HE2 TYR 60 HE2 TYR 60 -3.190 13.352 0.497 286 HH TYR 60 HH TYR 60 -3.384 14.373 3.394 287 H THR 61 H THR 61 -1.169 8.199 0.106 288 HA THR 61 HA THR 61 -3.611 9.691 0.524 289 HB THR 61 HB THR 61 -4.465 8.550 -1.368 290 HG1 THR 61 HG1 THR 61 -2.657 6.935 -2.196 291 1HG2 THR 61 1HG2 THR 61 -2.790 10.244 -1.881 292 2HG2 THR 61 2HG2 THR 61 -1.523 8.994 -1.876 293 3HG2 THR 61 3HG2 THR 61 -2.833 8.949 -3.084 294 H ARG 62 H ARG 62 -5.685 8.762 1.017 295 HA ARG 62 HA ARG 62 -5.729 6.943 3.217 296 1HB ARG 62 1HB ARG 62 -7.436 8.638 2.737 297 2HB ARG 62 2HB ARG 62 -7.959 7.742 1.309 298 1HG ARG 62 1HG ARG 62 -8.676 5.881 2.701 299 2HG ARG 62 2HG ARG 62 -8.040 6.649 4.155 300 1HD ARG 62 1HD ARG 62 -10.219 7.880 2.402 301 2HD ARG 62 2HD ARG 62 -10.550 6.898 3.839 302 HE ARG 62 HE ARG 62 -8.778 8.746 4.775 303 1HH1 ARG 62 1HH1 ARG 62 -12.021 9.134 3.298 304 2HH1 ARG 62 2HH1 ARG 62 -12.138 10.783 3.843 305 1HH2 ARG 62 1HH2 ARG 62 -9.040 10.663 5.580 306 2HH2 ARG 62 2HH2 ARG 62 -10.450 11.660 5.316 307 HA PRO 63 HA PRO 63 -6.796 3.449 0.157 308 1HB PRO 63 1HB PRO 63 -6.053 3.602 -2.481 309 2HB PRO 63 2HB PRO 63 -7.663 4.066 -1.863 310 1HG PRO 63 1HG PRO 63 -5.326 5.880 -2.436 311 2HG PRO 63 2HG PRO 63 -7.042 6.083 -2.902 312 1HD PRO 63 1HD PRO 63 -6.072 7.339 -0.741 313 2HD PRO 63 2HD PRO 63 -7.692 6.616 -0.699 314 H HIS 64 H HIS 64 -3.726 5.319 -0.564 315 HA HIS 64 HA HIS 64 -2.212 2.930 -0.880 316 1HB HIS 64 1HB HIS 64 -1.322 5.707 -0.010 317 2HB HIS 64 2HB HIS 64 -0.237 4.381 -0.338 318 HD1 HIS 64 HD1 HIS 64 0.330 6.783 -1.969 319 HD2 HIS 64 HD2 HIS 64 -2.386 3.790 -3.147 320 HE1 HIS 64 HE1 HIS 64 0.071 6.982 -4.597 321 H ARG 65 H ARG 65 -2.921 4.947 2.023 322 HA ARG 65 HA ARG 65 -1.422 3.381 3.828 323 1HB ARG 65 1HB ARG 65 -2.691 5.680 4.091 324 2HB ARG 65 2HB ARG 65 -3.993 4.715 4.749 325 1HG ARG 65 1HG ARG 65 -2.802 4.134 6.636 326 2HG ARG 65 2HG ARG 65 -1.269 4.061 5.818 327 1HD ARG 65 1HD ARG 65 -1.397 5.850 7.540 328 2HD ARG 65 2HD ARG 65 -0.962 6.436 5.939 329 HE ARG 65 HE ARG 65 -3.658 6.640 7.237 330 1HH1 ARG 65 1HH1 ARG 65 -1.252 7.957 4.915 331 2HH1 ARG 65 2HH1 ARG 65 -2.316 9.165 4.318 332 1HH2 ARG 65 1HH2 ARG 65 -5.092 8.183 6.299 333 2HH2 ARG 65 2HH2 ARG 65 -4.485 9.402 5.216 334 H HIS 66 H HIS 66 -4.873 3.196 3.030 335 HA HIS 66 HA HIS 66 -5.692 1.059 4.602 336 1HB HIS 66 1HB HIS 66 -6.213 1.624 1.655 337 2HB HIS 66 2HB HIS 66 -6.967 0.263 2.467 338 HD1 HIS 66 HD1 HIS 66 -8.118 3.430 1.400 339 HD2 HIS 66 HD2 HIS 66 -8.199 1.129 4.898 340 HE1 HIS 66 HE1 HIS 66 -10.178 4.172 2.645 341 H ILE 67 H ILE 67 -4.104 0.703 1.388 342 HA ILE 67 HA ILE 67 -4.234 -2.107 1.473 343 HB ILE 67 HB ILE 67 -2.426 -0.240 -0.099 344 1HG1 ILE 67 1HG1 ILE 67 -4.906 -1.750 -1.034 345 2HG1 ILE 67 2HG1 ILE 67 -5.050 -0.161 -0.318 346 1HG2 ILE 67 1HG2 ILE 67 -2.990 -3.221 -0.450 347 2HG2 ILE 67 2HG2 ILE 67 -2.176 -2.221 -1.674 348 3HG2 ILE 67 3HG2 ILE 67 -1.426 -2.502 -0.102 349 1HD1 ILE 67 1HD1 ILE 67 -3.476 0.763 -2.038 350 2HD1 ILE 67 2HD1 ILE 67 -3.534 -0.829 -2.835 351 3HD1 ILE 67 3HD1 ILE 67 -5.007 0.150 -2.680 352 H PHE 68 H PHE 68 -1.456 0.075 2.390 353 HA PHE 68 HA PHE 68 0.195 -2.104 3.202 354 1HB PHE 68 1HB PHE 68 0.919 0.306 2.891 355 2HB PHE 68 2HB PHE 68 0.187 0.670 4.445 356 HD1 PHE 68 HD1 PHE 68 1.145 -0.394 6.552 357 HD2 PHE 68 HD2 PHE 68 2.992 -0.961 2.697 358 HE1 PHE 68 HE1 PHE 68 3.230 -1.145 7.659 359 HE2 PHE 68 HE2 PHE 68 5.077 -1.703 3.826 360 HZ PHE 68 HZ PHE 68 5.202 -1.764 6.305 361 H THR 69 H THR 69 -2.401 -0.340 4.988 362 HA THR 69 HA THR 69 -1.713 -1.479 7.558 363 HB THR 69 HB THR 69 -4.404 -0.410 6.574 364 HG1 THR 69 HG1 THR 69 -2.770 1.093 6.226 365 1HG2 THR 69 1HG2 THR 69 -4.496 -1.542 8.792 366 2HG2 THR 69 2HG2 THR 69 -3.207 -0.468 9.382 367 3HG2 THR 69 3HG2 THR 69 -4.796 0.187 8.919 368 H GLU 70 H GLU 70 -3.922 -2.499 4.893 369 HA GLU 70 HA GLU 70 -4.913 -4.638 6.527 370 1HB GLU 70 1HB GLU 70 -5.968 -3.185 4.496 371 2HB GLU 70 2HB GLU 70 -5.366 -4.542 3.553 372 1HG GLU 70 1HG GLU 70 -7.714 -4.913 4.299 373 2HG GLU 70 2HG GLU 70 -6.650 -6.086 5.064 374 H MET 71 H MET 71 -2.402 -4.319 4.037 375 HA MET 71 HA MET 71 -1.816 -7.131 3.797 376 1HB MET 71 1HB MET 71 -0.115 -4.622 3.512 377 2HB MET 71 2HB MET 71 0.507 -6.258 3.244 378 1HG MET 71 1HG MET 71 -1.097 -6.633 1.451 379 2HG MET 71 2HG MET 71 -1.802 -5.040 1.692 380 1HE MET 71 1HE MET 71 -0.470 -6.512 -0.956 381 2HE MET 71 2HE MET 71 -1.308 -4.943 -1.109 382 3HE MET 71 3HE MET 71 0.328 -5.140 -1.754 383 H ALA 72 H ALA 72 -0.575 -4.528 5.997 384 HA ALA 72 HA ALA 72 1.057 -6.207 7.578 385 1HB ALA 72 1HB ALA 72 -0.482 -3.699 8.388 386 2HB ALA 72 2HB ALA 72 0.837 -4.454 9.307 387 3HB ALA 72 3HB ALA 72 1.151 -3.740 7.716 388 H ARG 73 H ARG 73 -2.407 -5.331 7.995 389 HA ARG 73 HA ARG 73 -2.878 -6.864 10.342 390 1HB ARG 73 1HB ARG 73 -4.516 -5.227 9.368 391 2HB ARG 73 2HB ARG 73 -4.756 -6.314 8.008 392 1HG ARG 73 1HG ARG 73 -6.526 -7.055 9.127 393 2HG ARG 73 2HG ARG 73 -5.410 -8.026 10.061 394 1HD ARG 73 1HD ARG 73 -6.390 -5.255 10.810 395 2HD ARG 73 2HD ARG 73 -7.094 -6.781 11.373 396 HE ARG 73 HE ARG 73 -4.568 -7.164 12.171 397 1HH1 ARG 73 1HH1 ARG 73 -6.882 -4.523 12.789 398 2HH1 ARG 73 2HH1 ARG 73 -5.958 -3.872 14.115 399 1HH2 ARG 73 1HH2 ARG 73 -3.595 -6.552 13.944 400 2HH2 ARG 73 2HH2 ARG 73 -3.960 -5.068 14.834 401 H LEU 74 H LEU 74 -3.171 -7.910 6.857 402 HA LEU 74 HA LEU 74 -3.947 -10.544 7.414 403 1HB LEU 74 1HB LEU 74 -2.599 -9.059 5.143 404 2HB LEU 74 2HB LEU 74 -2.646 -10.800 5.074 405 HG LEU 74 HG LEU 74 -5.163 -9.193 5.586 406 1HD1 LEU 74 1HD1 LEU 74 -4.006 -9.956 2.871 407 2HD1 LEU 74 2HD1 LEU 74 -5.645 -9.346 3.161 408 3HD1 LEU 74 3HD1 LEU 74 -4.247 -8.315 3.506 409 1HD2 LEU 74 1HD2 LEU 74 -4.623 -11.972 4.426 410 2HD2 LEU 74 2HD2 LEU 74 -5.307 -11.613 6.026 411 3HD2 LEU 74 3HD2 LEU 74 -6.229 -11.237 4.570 412 H GLN 75 H GLN 75 -0.630 -9.209 6.911 413 HA GLN 75 HA GLN 75 0.654 -11.694 7.273 414 1HB GLN 75 1HB GLN 75 1.489 -9.296 6.431 415 2HB GLN 75 2HB GLN 75 1.887 -9.047 8.119 416 1HG GLN 75 1HG GLN 75 3.873 -9.866 7.150 417 2HG GLN 75 2HG GLN 75 3.214 -11.281 7.965 418 1HE2 GLN 75 2HE2 GLN 75 3.740 -9.701 4.814 419 2HE2 GLN 75 1HE2 GLN 75 3.445 -11.138 3.835 420 H GLU 76 H GLU 76 -0.178 -9.154 9.643 421 HA GLU 76 HA GLU 76 0.824 -10.420 11.983 422 1HB GLU 76 1HB GLU 76 0.254 -8.116 11.965 423 2HB GLU 76 2HB GLU 76 -1.396 -8.413 11.452 424 1HG GLU 76 1HG GLU 76 -0.466 -9.532 14.100 425 2HG GLU 76 2HG GLU 76 -0.789 -7.809 13.953 426 H SER 77 H SER 77 -2.180 -10.887 10.157 427 HA SER 77 HA SER 77 -3.279 -12.844 12.030 428 1HB SER 77 1HB SER 77 -4.160 -12.162 9.322 429 2HB SER 77 2HB SER 77 -5.104 -12.987 10.556 430 HG SER 77 HG SER 77 -4.106 -10.309 10.660 431 H GLY 78 H GLY 78 -0.666 -13.027 9.963 432 1HA GLY 78 1HA GLY 78 0.571 -14.777 9.289 433 2HA GLY 78 2HA GLY 78 -0.487 -15.862 10.212 434 H SER 79 H SER 79 -1.407 -13.589 7.666 435 HA SER 79 HA SER 79 -2.354 -15.826 5.953 436 1HB SER 79 1HB SER 79 -3.838 -13.312 6.806 437 2HB SER 79 2HB SER 79 -4.420 -14.492 5.618 438 HG SER 79 HG SER 79 -3.859 -14.949 8.387 439 HA PRO 80 HA PRO 80 -0.036 -13.921 2.954 440 1HB PRO 80 1HB PRO 80 -1.568 -14.277 0.579 441 2HB PRO 80 2HB PRO 80 -0.459 -15.445 1.326 442 1HG PRO 80 1HG PRO 80 -3.429 -15.305 1.512 443 2HG PRO 80 2HG PRO 80 -2.370 -16.722 1.533 444 1HD PRO 80 1HD PRO 80 -3.555 -15.692 3.783 445 2HD PRO 80 2HD PRO 80 -1.971 -16.523 3.814 446 H ILE 81 H ILE 81 0.258 -12.257 1.381 447 HA ILE 81 HA ILE 81 -1.766 -10.068 1.513 448 HB ILE 81 HB ILE 81 0.021 -8.479 1.382 449 1HG1 ILE 81 1HG1 ILE 81 2.059 -10.709 1.735 450 2HG1 ILE 81 2HG1 ILE 81 1.671 -9.996 0.163 451 1HG2 ILE 81 1HG2 ILE 81 -0.820 -9.321 3.592 452 2HG2 ILE 81 2HG2 ILE 81 0.548 -10.439 3.669 453 3HG2 ILE 81 3HG2 ILE 81 0.828 -8.691 3.676 454 1HD1 ILE 81 1HD1 ILE 81 2.253 -7.736 1.069 455 2HD1 ILE 81 2HD1 ILE 81 2.828 -8.536 2.552 456 3HD1 ILE 81 3HD1 ILE 81 3.607 -8.872 0.992 457 H ASP 82 H ASP 82 -1.618 -12.322 -0.345 458 HA ASP 82 HA ASP 82 -0.864 -11.316 -2.952 459 1HB ASP 82 1HB ASP 82 -1.472 -13.790 -2.081 460 2HB ASP 82 2HB ASP 82 -3.094 -13.319 -2.606 461 H LEU 83 H LEU 83 -2.478 -10.749 -4.589 462 HA LEU 83 HA LEU 83 -4.095 -8.526 -3.769 463 1HB LEU 83 1HB LEU 83 -3.174 -8.574 -5.969 464 2HB LEU 83 2HB LEU 83 -3.998 -10.083 -6.350 465 HG LEU 83 HG LEU 83 -6.138 -9.116 -6.446 466 1HD1 LEU 83 1HD1 LEU 83 -4.851 -6.512 -5.610 467 2HD1 LEU 83 2HD1 LEU 83 -6.560 -6.759 -6.127 468 3HD1 LEU 83 3HD1 LEU 83 -5.989 -7.426 -4.606 469 1HD2 LEU 83 1HD2 LEU 83 -4.674 -8.723 -8.413 470 2HD2 LEU 83 2HD2 LEU 83 -5.821 -7.383 -8.187 471 3HD2 LEU 83 3HD2 LEU 83 -4.137 -7.186 -7.687 472 H ILE 84 H ILE 84 -5.005 -12.007 -4.606 473 HA ILE 84 HA ILE 84 -7.730 -11.440 -4.423 474 HB ILE 84 HB ILE 84 -6.352 -14.074 -3.805 475 1HG1 ILE 84 1HG1 ILE 84 -5.096 -13.275 -5.733 476 2HG1 ILE 84 2HG1 ILE 84 -6.056 -14.641 -6.085 477 1HG2 ILE 84 1HG2 ILE 84 -8.949 -13.335 -5.229 478 2HG2 ILE 84 2HG2 ILE 84 -8.312 -14.985 -5.130 479 3HG2 ILE 84 3HG2 ILE 84 -8.773 -14.108 -3.650 480 1HD1 ILE 84 1HD1 ILE 84 -7.770 -13.145 -7.211 481 2HD1 ILE 84 2HD1 ILE 84 -6.668 -11.777 -6.887 482 3HD1 ILE 84 3HD1 ILE 84 -6.164 -13.104 -7.943 483 H THR 85 H THR 85 -5.408 -12.617 -1.970 484 HA THR 85 HA THR 85 -7.252 -13.036 0.071 485 HB THR 85 HB THR 85 -4.460 -12.043 0.627 486 HG1 THR 85 HG1 THR 85 -4.785 -14.723 -0.177 487 1HG2 THR 85 1HG2 THR 85 -6.058 -12.788 2.438 488 2HG2 THR 85 2HG2 THR 85 -6.024 -14.422 1.740 489 3HG2 THR 85 3HG2 THR 85 -4.551 -13.677 2.411 490 H LEU 86 H LEU 86 -5.252 -10.294 -0.763 491 HA LEU 86 HA LEU 86 -5.860 -8.418 1.218 492 1HB LEU 86 1HB LEU 86 -4.050 -8.231 -0.460 493 2HB LEU 86 2HB LEU 86 -5.212 -8.089 -1.739 494 HG LEU 86 HG LEU 86 -6.038 -5.929 -0.779 495 1HD1 LEU 86 1HD1 LEU 86 -3.642 -6.283 1.073 496 2HD1 LEU 86 2HD1 LEU 86 -4.527 -4.756 0.843 497 3HD1 LEU 86 3HD1 LEU 86 -5.343 -6.151 1.555 498 1HD2 LEU 86 1HD2 LEU 86 -4.478 -6.058 -2.648 499 2HD2 LEU 86 2HD2 LEU 86 -4.129 -4.662 -1.628 500 3HD2 LEU 86 3HD2 LEU 86 -3.110 -6.127 -1.526 501 H ALA 87 H ALA 87 -7.299 -8.717 -2.020 502 HA ALA 87 HA ALA 87 -9.115 -6.563 -1.725 503 1HB ALA 87 1HB ALA 87 -8.582 -7.623 -3.906 504 2HB ALA 87 2HB ALA 87 -9.454 -9.086 -3.406 505 3HB ALA 87 3HB ALA 87 -10.332 -7.553 -3.615 506 H GLU 88 H GLU 88 -9.613 -10.085 -1.129 507 HA GLU 88 HA GLU 88 -12.283 -9.707 -0.194 508 1HB GLU 88 1HB GLU 88 -10.342 -12.009 0.086 509 2HB GLU 88 2HB GLU 88 -11.981 -12.014 0.768 510 1HG GLU 88 1HG GLU 88 -12.883 -11.446 -1.529 511 2HG GLU 88 2HG GLU 88 -11.256 -11.637 -2.175 512 H SER 89 H SER 89 -9.153 -9.532 1.529 513 HA SER 89 HA SER 89 -10.471 -9.683 4.081 514 1HB SER 89 1HB SER 89 -7.981 -10.173 3.358 515 2HB SER 89 2HB SER 89 -7.743 -8.469 3.755 516 HG SER 89 HG SER 89 -8.119 -8.962 5.842 517 H LEU 90 H LEU 90 -9.495 -7.072 1.901 518 HA LEU 90 HA LEU 90 -10.001 -4.865 3.636 519 1HB LEU 90 1HB LEU 90 -10.005 -5.250 0.633 520 2HB LEU 90 2HB LEU 90 -10.523 -3.729 1.335 521 HG LEU 90 HG LEU 90 -7.816 -4.878 2.039 522 1HD1 LEU 90 1HD1 LEU 90 -8.524 -3.042 -0.274 523 2HD1 LEU 90 2HD1 LEU 90 -6.874 -3.452 0.262 524 3HD1 LEU 90 3HD1 LEU 90 -7.934 -4.711 -0.393 525 1HD2 LEU 90 1HD2 LEU 90 -8.933 -2.018 1.988 526 2HD2 LEU 90 2HD2 LEU 90 -8.706 -2.993 3.452 527 3HD2 LEU 90 3HD2 LEU 90 -7.302 -2.497 2.505 528 H GLU 91 H GLU 91 -12.252 -6.734 1.447 529 HA GLU 91 HA GLU 91 -14.438 -4.974 2.149 530 1HB GLU 91 1HB GLU 91 -15.962 -6.544 1.167 531 2HB GLU 91 2HB GLU 91 -14.620 -6.198 0.088 532 1HG GLU 91 1HG GLU 91 -13.643 -8.305 0.450 533 2HG GLU 91 2HG GLU 91 -14.682 -8.666 1.850 534 H ARG 92 H ARG 92 -13.138 -7.881 3.721 535 HA ARG 92 HA ARG 92 -15.321 -8.184 5.560 536 1HB ARG 92 1HB ARG 92 -12.362 -8.757 5.991 537 2HB ARG 92 2HB ARG 92 -13.661 -9.210 7.092 538 1HG ARG 92 1HG ARG 92 -14.724 -10.517 5.215 539 2HG ARG 92 2HG ARG 92 -13.283 -10.229 4.249 540 1HD ARG 92 1HD ARG 92 -13.405 -11.636 6.934 541 2HD ARG 92 2HD ARG 92 -13.223 -12.407 5.346 542 HE ARG 92 HE ARG 92 -11.140 -10.456 6.045 543 1HH1 ARG 92 1HH1 ARG 92 -12.198 -13.725 6.790 544 2HH1 ARG 92 2HH1 ARG 92 -10.598 -14.359 7.015 545 1HH2 ARG 92 1HH2 ARG 92 -8.991 -11.315 6.042 546 2HH2 ARG 92 2HH2 ARG 92 -8.730 -12.984 6.457 547 H GLN 93 H GLN 93 -12.341 -6.242 5.725 548 HA GLN 93 HA GLN 93 -13.150 -4.866 8.155 549 1HB GLN 93 1HB GLN 93 -11.044 -4.334 6.021 550 2HB GLN 93 2HB GLN 93 -11.262 -3.282 7.420 551 1HG GLN 93 1HG GLN 93 -11.091 -6.145 8.166 552 2HG GLN 93 2HG GLN 93 -9.689 -5.580 7.320 553 1HE2 GLN 93 2HE2 GLN 93 -8.342 -4.030 8.329 554 2HE2 GLN 93 1HE2 GLN 93 -8.469 -3.640 10.042 555 H GLY 94 H GLY 94 -14.433 -4.649 4.995 556 1HA GLY 94 1HA GLY 94 -16.120 -3.274 4.281 557 2HA GLY 94 2HA GLY 94 -15.977 -2.370 5.799 558 H GLN 95 H GLN 95 -13.050 -2.748 3.978 559 HA GLN 95 HA GLN 95 -13.158 0.127 3.225 560 1HB GLN 95 1HB GLN 95 -10.680 -1.473 3.904 561 2HB GLN 95 2HB GLN 95 -10.808 0.260 3.637 562 1HG GLN 95 1HG GLN 95 -11.770 -1.339 6.017 563 2HG GLN 95 2HG GLN 95 -10.530 -0.102 5.974 564 1HE2 GLN 95 2HE2 GLN 95 -13.705 -0.679 6.854 565 2HE2 GLN 95 1HE2 GLN 95 -14.332 0.963 6.829 566 H LEU 96 H LEU 96 -13.330 -2.888 1.731 567 HA LEU 96 HA LEU 96 -11.410 -2.626 -0.381 568 1HB LEU 96 1HB LEU 96 -12.570 -4.702 -0.046 569 2HB LEU 96 2HB LEU 96 -14.115 -3.948 -0.478 570 HG LEU 96 HG LEU 96 -13.239 -3.517 -2.770 571 1HD1 LEU 96 1HD1 LEU 96 -10.746 -4.934 -1.734 572 2HD1 LEU 96 2HD1 LEU 96 -11.108 -4.716 -3.455 573 3HD1 LEU 96 3HD1 LEU 96 -10.838 -3.302 -2.438 574 1HD2 LEU 96 1HD2 LEU 96 -12.957 -6.366 -1.797 575 2HD2 LEU 96 2HD2 LEU 96 -14.459 -5.547 -2.283 576 3HD2 LEU 96 3HD2 LEU 96 -13.195 -5.855 -3.486 577 H ASP 97 H ASP 97 -14.803 -1.508 -0.077 578 HA ASP 97 HA ASP 97 -14.800 -0.241 -2.638 579 1HB ASP 97 1HB ASP 97 -16.757 -0.818 -0.941 580 2HB ASP 97 2HB ASP 97 -16.454 0.814 -0.341 581 H SER 98 H SER 98 -13.913 0.923 0.625 582 HA SER 98 HA SER 98 -13.436 3.603 0.030 583 1HB SER 98 1HB SER 98 -11.930 1.958 2.075 584 2HB SER 98 2HB SER 98 -12.359 3.675 2.137 585 HG SER 98 HG SER 98 -14.509 3.125 2.393 586 H VAL 99 H VAL 99 -11.325 0.781 -0.711 587 HA VAL 99 HA VAL 99 -9.109 2.622 -1.293 588 HB VAL 99 HB VAL 99 -7.864 0.683 -2.078 589 1HG1 VAL 99 1HG1 VAL 99 -7.800 1.376 0.228 590 2HG1 VAL 99 2HG1 VAL 99 -9.134 0.303 0.666 591 3HG1 VAL 99 3HG1 VAL 99 -7.591 -0.378 0.111 592 1HG2 VAL 99 1HG2 VAL 99 -9.864 -0.706 -2.861 593 2HG2 VAL 99 2HG2 VAL 99 -8.607 -1.549 -1.963 594 3HG2 VAL 99 3HG2 VAL 99 -10.096 -1.103 -1.135 595 H GLY 100 H GLY 100 -11.948 1.961 -2.948 596 1HA GLY 100 1HA GLY 100 -12.437 2.666 -5.140 597 2HA GLY 100 2HA GLY 100 -10.721 2.646 -5.558 598 H GLY 101 H GLY 101 -12.315 -0.008 -3.811 599 1HA GLY 101 1HA GLY 101 -13.156 -1.988 -4.367 600 2HA GLY 101 2HA GLY 101 -13.315 -1.423 -6.028 601 H PHE 102 H PHE 102 -12.878 -3.912 -5.891 602 HA PHE 102 HA PHE 102 -10.081 -4.708 -6.154 603 1HB PHE 102 1HB PHE 102 -12.099 -6.154 -5.479 604 2HB PHE 102 2HB PHE 102 -12.536 -6.185 -7.173 605 HD1 PHE 102 HD1 PHE 102 -9.224 -6.340 -7.870 606 HD2 PHE 102 HD2 PHE 102 -12.091 -8.600 -5.530 607 HE1 PHE 102 HE1 PHE 102 -7.815 -8.321 -8.033 608 HE2 PHE 102 HE2 PHE 102 -10.565 -10.552 -5.609 609 HZ PHE 102 HZ PHE 102 -8.391 -10.380 -6.823 610 H ALA 103 H ALA 103 -10.259 -2.498 -7.519 611 HA ALA 103 HA ALA 103 -9.887 -3.234 -10.357 612 1HB ALA 103 1HB ALA 103 -11.516 -0.841 -9.332 613 2HB ALA 103 2HB ALA 103 -10.932 -1.043 -10.995 614 3HB ALA 103 3HB ALA 103 -12.114 -2.190 -10.326 615 H TYR 104 H TYR 104 -9.687 -0.514 -7.943 616 HA TYR 104 HA TYR 104 -7.294 0.554 -9.026 617 1HB TYR 104 1HB TYR 104 -8.833 1.715 -7.473 618 2HB TYR 104 2HB TYR 104 -8.375 0.616 -6.178 619 HD1 TYR 104 HD1 TYR 104 -6.957 3.137 -8.593 620 HD2 TYR 104 HD2 TYR 104 -6.538 1.167 -4.767 621 HE1 TYR 104 HE1 TYR 104 -5.203 4.747 -7.959 622 HE2 TYR 104 HE2 TYR 104 -4.755 2.778 -4.146 623 HH TYR 104 HH TYR 104 -3.728 5.460 -6.281 624 H LEU 105 H LEU 105 -7.817 -2.036 -6.597 625 HA LEU 105 HA LEU 105 -5.049 -2.364 -5.922 626 1HB LEU 105 1HB LEU 105 -7.068 -4.623 -6.111 627 2HB LEU 105 2HB LEU 105 -5.584 -4.549 -5.172 628 HG LEU 105 HG LEU 105 -7.977 -2.791 -4.569 629 1HD1 LEU 105 1HD1 LEU 105 -8.462 -5.181 -4.184 630 2HD1 LEU 105 2HD1 LEU 105 -6.998 -5.327 -3.187 631 3HD1 LEU 105 3HD1 LEU 105 -8.343 -4.282 -2.670 632 1HD2 LEU 105 1HD2 LEU 105 -5.307 -3.288 -3.179 633 2HD2 LEU 105 2HD2 LEU 105 -5.926 -1.754 -3.829 634 3HD2 LEU 105 3HD2 LEU 105 -6.679 -2.486 -2.406 635 H ALA 106 H ALA 106 -7.022 -3.718 -8.604 636 HA ALA 106 HA ALA 106 -4.973 -5.532 -9.476 637 1HB ALA 106 1HB ALA 106 -7.370 -5.870 -9.979 638 2HB ALA 106 2HB ALA 106 -7.380 -4.387 -10.971 639 3HB ALA 106 3HB ALA 106 -6.390 -5.778 -11.455 640 H GLU 107 H GLU 107 -5.855 -2.181 -10.193 641 HA GLU 107 HA GLU 107 -4.121 -1.673 -12.387 642 1HB GLU 107 1HB GLU 107 -5.982 -0.167 -11.357 643 2HB GLU 107 2HB GLU 107 -4.787 0.288 -10.153 644 1HG GLU 107 1HG GLU 107 -4.478 1.987 -11.617 645 2HG GLU 107 2HG GLU 107 -3.285 0.866 -12.272 646 H LEU 108 H LEU 108 -3.582 -1.108 -8.885 647 HA LEU 108 HA LEU 108 -0.878 -0.405 -8.962 648 1HB LEU 108 1HB LEU 108 -2.425 -1.981 -6.871 649 2HB LEU 108 2HB LEU 108 -0.797 -1.380 -6.609 650 HG LEU 108 HG LEU 108 -3.085 0.495 -7.345 651 1HD1 LEU 108 1HD1 LEU 108 -2.103 -0.382 -4.598 652 2HD1 LEU 108 2HD1 LEU 108 -3.221 0.966 -4.906 653 3HD1 LEU 108 3HD1 LEU 108 -3.714 -0.684 -5.300 654 1HD2 LEU 108 1HD2 LEU 108 -0.429 0.922 -5.927 655 2HD2 LEU 108 2HD2 LEU 108 -0.787 1.392 -7.602 656 3HD2 LEU 108 3HD2 LEU 108 -1.662 2.160 -6.264 657 H SER 109 H SER 109 -2.275 -3.656 -8.641 658 HA SER 109 HA SER 109 0.065 -5.148 -8.296 659 1HB SER 109 1HB SER 109 -2.585 -5.679 -8.325 660 2HB SER 109 2HB SER 109 -2.201 -6.276 -9.937 661 HG SER 109 HG SER 109 -1.251 -7.080 -7.403 662 H LYS 110 H LYS 110 -1.240 -3.719 -11.250 663 HA LYS 110 HA LYS 110 0.877 -5.076 -12.893 664 1HB LYS 110 1HB LYS 110 -1.923 -4.150 -13.577 665 2HB LYS 110 2HB LYS 110 -0.751 -4.714 -14.775 666 1HG LYS 110 1HG LYS 110 -0.747 -6.938 -13.933 667 2HG LYS 110 2HG LYS 110 -1.560 -6.494 -12.439 668 1HD LYS 110 1HD LYS 110 -3.001 -7.699 -14.139 669 2HD LYS 110 2HD LYS 110 -3.645 -6.221 -13.444 670 1HE LYS 110 1HE LYS 110 -4.139 -6.186 -15.792 671 2HE LYS 110 2HE LYS 110 -2.943 -4.944 -15.458 672 1HZ LYS 110 1HZ LYS 110 -1.245 -6.634 -16.220 673 2HZ LYS 110 2HZ LYS 110 -2.496 -7.538 -16.771 674 3HZ LYS 110 3HZ LYS 110 -2.232 -6.003 -17.353 675 H ASN 111 H ASN 111 0.861 -2.522 -11.237 676 HA ASN 111 HA ASN 111 1.879 -0.686 -13.351 677 1HB ASN 111 1HB ASN 111 -0.309 0.077 -12.478 678 2HB ASN 111 2HB ASN 111 0.331 0.010 -10.826 679 1HD2 ASN 111 2HD2 ASN 111 -0.435 2.326 -10.909 680 2HD2 ASN 111 1HD2 ASN 111 0.614 3.531 -11.637 681 H THR 112 H THR 112 3.510 -2.576 -12.367 682 HA THR 112 HA THR 112 5.386 -1.085 -10.664 683 HB THR 112 HB THR 112 4.233 -3.832 -9.993 684 HG1 THR 112 HG1 THR 112 3.274 -1.639 -9.315 685 1HG2 THR 112 1HG2 THR 112 6.477 -2.324 -8.591 686 2HG2 THR 112 2HG2 THR 112 5.729 -3.829 -8.045 687 3HG2 THR 112 3HG2 THR 112 6.675 -3.827 -9.527 688 HA PRO 113 HA PRO 113 7.977 -3.463 -13.578 689 1HB PRO 113 1HB PRO 113 10.464 -2.783 -12.755 690 2HB PRO 113 2HB PRO 113 9.374 -1.582 -13.507 691 1HG PRO 113 1HG PRO 113 9.778 -2.089 -10.525 692 2HG PRO 113 2HG PRO 113 9.936 -0.549 -11.405 693 1HD PRO 113 1HD PRO 113 7.618 -1.232 -10.163 694 2HD PRO 113 2HD PRO 113 7.590 -0.384 -11.735 695 H SER 114 H SER 114 6.887 -5.299 -12.395 696 HA SER 114 HA SER 114 6.910 -7.270 -11.201 697 1HB SER 114 1HB SER 114 7.971 -7.405 -13.466 698 2HB SER 114 2HB SER 114 9.555 -7.425 -12.669 699 HG SER 114 HG SER 114 9.214 -9.404 -12.084 700 H ALA 115 H ALA 115 7.604 -5.546 -9.194 701 HA ALA 115 HA ALA 115 8.533 -5.379 -7.138 702 1HB ALA 115 1HB ALA 115 8.961 -8.364 -7.547 703 2HB ALA 115 2HB ALA 115 9.190 -7.530 -6.017 704 3HB ALA 115 3HB ALA 115 7.588 -7.553 -6.768 705 H ALA 116 H ALA 116 10.478 -5.398 -9.675 706 HA ALA 116 HA ALA 116 12.999 -6.284 -8.629 707 1HB ALA 116 1HB ALA 116 12.210 -6.492 -10.993 708 2HB ALA 116 2HB ALA 116 12.280 -4.721 -11.140 709 3HB ALA 116 3HB ALA 116 13.769 -5.647 -10.859 710 H ASN 117 H ASN 117 11.527 -3.505 -7.638 711 HA ASN 117 HA ASN 117 14.083 -2.204 -7.156 712 1HB ASN 117 1HB ASN 117 12.892 -1.522 -9.568 713 2HB ASN 117 2HB ASN 117 12.244 -0.286 -8.540 714 1HD2 ASN 117 2HD2 ASN 117 13.982 0.277 -10.636 715 2HD2 ASN 117 1HD2 ASN 117 15.568 0.748 -10.049 716 H ILE 118 H ILE 118 11.904 -3.268 -5.519 717 HA ILE 118 HA ILE 118 10.088 -1.193 -4.895 718 HB ILE 118 HB ILE 118 9.779 -3.657 -4.578 719 1HG1 ILE 118 1HG1 ILE 118 9.017 -1.953 -2.151 720 2HG1 ILE 118 2HG1 ILE 118 8.377 -1.585 -3.738 721 1HG2 ILE 118 1HG2 ILE 118 11.742 -4.217 -3.210 722 2HG2 ILE 118 2HG2 ILE 118 11.021 -3.355 -1.840 723 3HG2 ILE 118 3HG2 ILE 118 10.221 -4.776 -2.520 724 1HD1 ILE 118 1HD1 ILE 118 7.970 -4.280 -2.466 725 2HD1 ILE 118 2HD1 ILE 118 6.854 -2.927 -2.263 726 3HD1 ILE 118 3HD1 ILE 118 7.147 -3.585 -3.875 727 H SER 119 H SER 119 12.808 -2.361 -3.178 728 HA SER 119 HA SER 119 12.823 -0.645 -0.968 729 1HB SER 119 1HB SER 119 14.700 -2.206 -1.275 730 2HB SER 119 2HB SER 119 15.359 -1.180 -2.562 731 HG SER 119 HG SER 119 15.335 0.558 -0.834 732 H ALA 120 H ALA 120 14.010 0.164 -4.162 733 HA ALA 120 HA ALA 120 14.870 2.805 -3.417 734 1HB ALA 120 1HB ALA 120 14.324 1.563 -6.141 735 2HB ALA 120 2HB ALA 120 15.032 3.167 -5.923 736 3HB ALA 120 3HB ALA 120 15.889 1.725 -5.335 737 H TYR 121 H TYR 121 11.708 1.568 -4.431 738 HA TYR 121 HA TYR 121 10.564 4.214 -4.827 739 1HB TYR 121 1HB TYR 121 9.328 1.453 -4.412 740 2HB TYR 121 2HB TYR 121 8.433 2.931 -4.684 741 HD1 TYR 121 HD1 TYR 121 9.585 4.359 -6.816 742 HD2 TYR 121 HD2 TYR 121 9.247 0.075 -6.336 743 HE1 TYR 121 HE1 TYR 121 9.759 4.067 -9.246 744 HE2 TYR 121 HE2 TYR 121 9.413 -0.216 -8.775 745 HH TYR 121 HH TYR 121 9.395 2.584 -10.996 746 H ALA 122 H ALA 122 10.525 1.679 -2.266 747 HA ALA 122 HA ALA 122 8.893 3.104 -0.439 748 1HB ALA 122 1HB ALA 122 9.327 0.666 -0.347 749 2HB ALA 122 2HB ALA 122 11.014 0.997 0.110 750 3HB ALA 122 3HB ALA 122 9.682 1.475 1.189 751 H ASP 123 H ASP 123 12.383 3.243 -1.061 752 HA ASP 123 HA ASP 123 13.166 4.818 1.159 753 1HB ASP 123 1HB ASP 123 14.257 4.486 -1.668 754 2HB ASP 123 2HB ASP 123 15.032 5.519 -0.470 755 H ILE 124 H ILE 124 11.473 5.711 -1.845 756 HA ILE 124 HA ILE 124 11.741 8.608 -1.392 757 HB ILE 124 HB ILE 124 9.872 7.121 -3.267 758 1HG1 ILE 124 1HG1 ILE 124 12.459 8.500 -4.100 759 2HG1 ILE 124 2HG1 ILE 124 12.445 6.802 -3.673 760 1HG2 ILE 124 1HG2 ILE 124 9.197 9.475 -2.780 761 2HG2 ILE 124 2HG2 ILE 124 10.798 10.024 -3.290 762 3HG2 ILE 124 3HG2 ILE 124 9.692 9.272 -4.455 763 1HD1 ILE 124 1HD1 ILE 124 10.713 6.365 -5.417 764 2HD1 ILE 124 2HD1 ILE 124 10.882 8.051 -5.952 765 3HD1 ILE 124 3HD1 ILE 124 12.263 6.940 -6.044 766 H VAL 125 H VAL 125 9.327 6.014 -0.874 767 HA VAL 125 HA VAL 125 7.227 7.638 0.162 768 HB VAL 125 HB VAL 125 7.882 4.768 0.833 769 1HG1 VAL 125 1HG1 VAL 125 5.310 6.387 1.079 770 2HG1 VAL 125 2HG1 VAL 125 5.401 4.615 1.251 771 3HG1 VAL 125 3HG1 VAL 125 6.243 5.656 2.389 772 1HG2 VAL 125 1HG2 VAL 125 6.363 5.961 -1.485 773 2HG2 VAL 125 2HG2 VAL 125 7.687 4.810 -1.523 774 3HG2 VAL 125 3HG2 VAL 125 6.122 4.282 -0.935 775 H ARG 126 H ARG 126 9.807 5.892 1.940 776 HA ARG 126 HA ARG 126 9.148 6.902 4.478 777 1HB ARG 126 1HB ARG 126 10.798 5.025 3.846 778 2HB ARG 126 2HB ARG 126 11.962 6.285 3.460 779 1HG ARG 126 1HG ARG 126 12.403 5.485 5.676 780 2HG ARG 126 2HG ARG 126 11.798 7.121 5.831 781 1HD ARG 126 1HD ARG 126 9.825 6.442 6.861 782 2HD ARG 126 2HD ARG 126 9.753 4.925 5.958 783 HE ARG 126 HE ARG 126 11.945 4.558 7.510 784 1HH1 ARG 126 1HH1 ARG 126 8.467 5.023 8.148 785 2HH1 ARG 126 2HH1 ARG 126 8.601 4.476 9.805 786 1HH2 ARG 126 1HH2 ARG 126 11.994 3.563 9.530 787 2HH2 ARG 126 2HH2 ARG 126 10.710 3.744 10.664 788 H GLU 127 H GLU 127 11.274 8.319 1.920 789 HA GLU 127 HA GLU 127 12.417 10.271 3.567 790 1HB GLU 127 1HB GLU 127 13.120 9.570 1.240 791 2HB GLU 127 2HB GLU 127 11.822 10.547 0.577 792 1HG GLU 127 1HG GLU 127 12.817 12.566 1.640 793 2HG GLU 127 2HG GLU 127 14.094 11.560 2.344 794 H ARG 128 H ARG 128 9.701 10.638 1.302 795 HA ARG 128 HA ARG 128 9.215 13.395 2.017 796 1HB ARG 128 1HB ARG 128 7.130 11.392 1.076 797 2HB ARG 128 2HB ARG 128 6.835 13.111 1.254 798 1HG ARG 128 1HG ARG 128 8.823 11.879 -0.686 799 2HG ARG 128 2HG ARG 128 7.216 12.493 -1.063 800 1HD ARG 128 1HD ARG 128 8.395 14.296 -1.727 801 2HD ARG 128 2HD ARG 128 8.118 14.759 -0.052 802 HE ARG 128 HE ARG 128 10.353 14.849 0.180 803 1HH1 ARG 128 1HH1 ARG 128 9.743 12.631 -2.583 804 2HH1 ARG 128 2HH1 ARG 128 11.448 12.358 -2.846 805 1HH2 ARG 128 1HH2 ARG 128 12.632 14.471 -0.319 806 2HH2 ARG 128 2HH2 ARG 128 13.030 13.518 -1.698 807 H ALA 129 H ALA 129 8.095 10.431 3.632 808 HA ALA 129 HA ALA 129 6.344 11.826 5.450 809 1HB ALA 129 1HB ALA 129 6.060 9.477 4.789 810 2HB ALA 129 2HB ALA 129 7.581 9.051 5.598 811 3HB ALA 129 3HB ALA 129 6.203 9.657 6.552 812 H VAL 130 H VAL 130 9.766 10.623 5.726 813 HA VAL 130 HA VAL 130 10.099 11.457 8.458 814 HB VAL 130 HB VAL 130 12.036 10.880 6.184 815 1HG1 VAL 130 1HG1 VAL 130 12.697 11.561 9.083 816 2HG1 VAL 130 2HG1 VAL 130 13.833 10.813 7.937 817 3HG1 VAL 130 3HG1 VAL 130 13.224 12.440 7.634 818 1HG2 VAL 130 1HG2 VAL 130 10.784 8.939 7.150 819 2HG2 VAL 130 2HG2 VAL 130 12.517 8.851 7.474 820 3HG2 VAL 130 3HG2 VAL 130 11.401 9.361 8.758 821 H VAL 131 H VAL 131 10.701 13.080 5.321 822 HA VAL 131 HA VAL 131 11.555 15.567 6.470 823 HB VAL 131 HB VAL 131 10.172 14.957 3.829 824 1HG1 VAL 131 1HG1 VAL 131 11.680 17.460 4.734 825 2HG1 VAL 131 2HG1 VAL 131 11.200 17.123 3.059 826 3HG1 VAL 131 3HG1 VAL 131 9.967 17.361 4.277 827 1HG2 VAL 131 1HG2 VAL 131 12.457 13.845 4.162 828 2HG2 VAL 131 2HG2 VAL 131 12.386 14.986 2.819 829 3HG2 VAL 131 3HG2 VAL 131 13.144 15.446 4.353 830 H ARG 132 H ARG 132 8.314 14.080 6.133 831 HA ARG 132 HA ARG 132 6.943 16.568 6.437 832 1HB ARG 132 1HB ARG 132 5.877 14.459 5.578 833 2HB ARG 132 2HB ARG 132 5.838 13.861 7.233 834 1HG ARG 132 1HG ARG 132 4.694 16.571 7.104 835 2HG ARG 132 2HG ARG 132 3.976 15.556 5.885 836 1HD ARG 132 1HD ARG 132 2.701 15.475 7.949 837 2HD ARG 132 2HD ARG 132 3.346 13.882 7.534 838 HE ARG 132 HE ARG 132 4.558 15.719 9.579 839 1HH1 ARG 132 1HH1 ARG 132 3.514 12.376 8.761 840 2HH1 ARG 132 2HH1 ARG 132 4.277 11.712 10.166 841 1HH2 ARG 132 1HH2 ARG 132 5.239 14.846 11.485 842 2HH2 ARG 132 2HH2 ARG 132 5.329 13.125 11.729 843 H GLU 133 H GLU 133 8.439 14.510 8.845 844 HA GLU 133 HA GLU 133 7.463 16.360 10.951 845 1HB GLU 133 1HB GLU 133 8.728 15.052 12.534 846 2HB GLU 133 2HB GLU 133 7.567 14.115 11.592 847 1HG GLU 133 1HG GLU 133 9.299 13.063 10.303 848 2HG GLU 133 2HG GLU 133 10.547 14.005 11.141 849 H MET 134 H MET 134 10.538 15.417 9.418 850 HA MET 134 HA MET 134 11.931 17.639 10.569 851 1HB MET 134 1HB MET 134 12.680 15.154 10.036 852 2HB MET 134 2HB MET 134 13.089 15.814 8.453 853 1HG MET 134 1HG MET 134 14.322 17.675 9.777 854 2HG MET 134 2HG MET 134 14.048 16.675 11.201 855 1HE MET 134 1HE MET 134 16.780 17.568 10.892 856 2HE MET 134 2HE MET 134 16.389 16.228 11.999 857 3HE MET 134 3HE MET 134 17.785 16.104 10.916 858 H ILE 135 H ILE 135 9.944 18.773 9.059 859 HA ILE 135 HA ILE 135 10.314 19.245 6.364 860 HB ILE 135 HB ILE 135 9.096 20.981 8.513 861 1HG1 ILE 135 1HG1 ILE 135 7.991 18.826 7.952 862 2HG1 ILE 135 2HG1 ILE 135 6.994 20.258 7.785 863 1HG2 ILE 135 1HG2 ILE 135 9.088 21.591 5.539 864 2HG2 ILE 135 2HG2 ILE 135 7.958 22.295 6.720 865 3HG2 ILE 135 3HG2 ILE 135 9.683 22.609 6.856 866 1HD1 ILE 135 1HD1 ILE 135 8.280 18.775 5.446 867 2HD1 ILE 135 2HD1 ILE 135 6.576 18.693 5.945 868 3HD1 ILE 135 3HD1 ILE 135 7.246 20.204 5.329 869 H SER 136 H SER 136 11.932 19.995 5.227 870 HA SER 136 HA SER 136 14.047 21.683 6.189 871 1HB SER 136 1HB SER 136 14.154 21.916 3.486 872 2HB SER 136 2HB SER 136 14.846 20.570 4.392 873 HG SER 136 HG SER 136 13.557 19.267 3.478 Start of MODEL 15 1 1H MET 23 1H MET 23 -1.609 28.533 1.107 2 2H MET 23 2H MET 23 -2.656 27.343 1.558 3 3H MET 23 3H MET 23 -2.089 28.433 2.682 4 HA MET 23 HA MET 23 0.107 27.626 2.469 5 1HB MET 23 1HB MET 23 -1.879 26.451 3.869 6 2HB MET 23 2HB MET 23 -1.478 25.093 2.827 7 1HG MET 23 1HG MET 23 0.790 25.049 3.638 8 2HG MET 23 2HG MET 23 0.587 26.613 4.452 9 1HE MET 23 1HE MET 23 1.719 23.911 5.824 10 2HE MET 23 2HE MET 23 1.607 25.468 6.681 11 3HE MET 23 3HE MET 23 0.934 23.998 7.420 12 H LYS 24 H LYS 24 1.613 26.138 1.384 13 HA LYS 24 HA LYS 24 0.808 25.192 -1.293 14 1HB LYS 24 1HB LYS 24 3.181 25.969 -0.564 15 2HB LYS 24 2HB LYS 24 3.267 24.471 0.353 16 1HG LYS 24 1HG LYS 24 2.591 23.446 -2.076 17 2HG LYS 24 2HG LYS 24 3.286 24.931 -2.622 18 1HD LYS 24 1HD LYS 24 4.721 22.908 -0.840 19 2HD LYS 24 2HD LYS 24 4.755 22.919 -2.596 20 1HE LYS 24 1HE LYS 24 6.691 24.044 -2.169 21 2HE LYS 24 2HE LYS 24 5.555 25.372 -2.429 22 1HZ LYS 24 1HZ LYS 24 6.405 24.351 0.213 23 2HZ LYS 24 2HZ LYS 24 7.029 25.681 -0.534 24 3HZ LYS 24 3HZ LYS 24 5.488 25.695 -0.026 25 H VAL 25 H VAL 25 1.021 22.734 -1.691 26 HA VAL 25 HA VAL 25 0.039 21.121 0.592 27 HB VAL 25 HB VAL 25 0.103 20.516 -2.394 28 1HG1 VAL 25 1HG1 VAL 25 0.161 18.496 -0.939 29 2HG1 VAL 25 2HG1 VAL 25 -1.323 19.048 -0.128 30 3HG1 VAL 25 3HG1 VAL 25 -1.345 18.612 -1.845 31 1HG2 VAL 25 1HG2 VAL 25 -1.572 22.312 -1.937 32 2HG2 VAL 25 2HG2 VAL 25 -2.354 20.801 -2.377 33 3HG2 VAL 25 3HG2 VAL 25 -2.304 21.288 -0.676 34 HA PRO 26 HA PRO 26 4.371 19.907 0.492 35 1HB PRO 26 1HB PRO 26 4.277 17.497 1.876 36 2HB PRO 26 2HB PRO 26 4.093 19.118 2.641 37 1HG PRO 26 1HG PRO 26 1.946 17.255 1.802 38 2HG PRO 26 2HG PRO 26 2.162 18.101 3.366 39 1HD PRO 26 1HD PRO 26 0.505 19.061 1.443 40 2HD PRO 26 2HD PRO 26 1.508 20.172 2.426 41 HA PRO 27 HA PRO 27 4.710 16.940 -2.846 42 1HB PRO 27 1HB PRO 27 7.127 15.720 -2.472 43 2HB PRO 27 2HB PRO 27 6.994 17.435 -2.975 44 1HG PRO 27 1HG PRO 27 7.372 16.345 -0.161 45 2HG PRO 27 2HG PRO 27 8.319 17.610 -0.985 46 1HD PRO 27 1HD PRO 27 6.258 18.224 0.695 47 2HD PRO 27 2HD PRO 27 6.525 19.188 -0.785 48 H HIS 28 H HIS 28 3.957 14.908 -3.137 49 HA HIS 28 HA HIS 28 4.356 12.838 -1.063 50 1HB HIS 28 1HB HIS 28 1.753 13.375 -2.565 51 2HB HIS 28 2HB HIS 28 2.061 12.043 -1.472 52 HD1 HIS 28 HD1 HIS 28 0.648 15.435 -1.488 53 HD2 HIS 28 HD2 HIS 28 2.638 12.916 1.243 54 HE1 HIS 28 HE1 HIS 28 0.036 16.264 0.831 55 H SER 29 H SER 29 5.687 11.447 -2.165 56 HA SER 29 HA SER 29 5.522 11.264 -5.130 57 1HB SER 29 1HB SER 29 7.461 10.017 -3.156 58 2HB SER 29 2HB SER 29 7.523 9.857 -4.923 59 HG SER 29 HG SER 29 7.650 12.176 -5.022 60 H ILE 30 H ILE 30 3.261 10.669 -4.163 61 HA ILE 30 HA ILE 30 2.757 8.172 -2.920 62 HB ILE 30 HB ILE 30 1.428 10.576 -3.779 63 1HG1 ILE 30 1HG1 ILE 30 -0.153 10.281 -2.216 64 2HG1 ILE 30 2HG1 ILE 30 -0.229 8.543 -2.374 65 1HG2 ILE 30 1HG2 ILE 30 0.602 9.602 -5.790 66 2HG2 ILE 30 2HG2 ILE 30 -0.154 8.263 -4.905 67 3HG2 ILE 30 3HG2 ILE 30 -0.710 9.928 -4.675 68 1HD1 ILE 30 1HD1 ILE 30 2.186 9.939 -1.167 69 2HD1 ILE 30 2HD1 ILE 30 0.778 9.397 -0.221 70 3HD1 ILE 30 3HD1 ILE 30 1.764 8.238 -1.088 71 H GLU 31 H GLU 31 2.900 9.098 -6.344 72 HA GLU 31 HA GLU 31 2.020 6.513 -7.263 73 1HB GLU 31 1HB GLU 31 3.487 8.831 -8.500 74 2HB GLU 31 2HB GLU 31 3.118 7.374 -9.377 75 1HG GLU 31 1HG GLU 31 0.878 7.951 -9.562 76 2HG GLU 31 2HG GLU 31 0.745 8.260 -7.848 77 H ALA 32 H ALA 32 5.141 7.654 -6.262 78 HA ALA 32 HA ALA 32 6.609 5.283 -7.205 79 1HB ALA 32 1HB ALA 32 7.326 7.270 -5.004 80 2HB ALA 32 2HB ALA 32 8.369 6.003 -5.603 81 3HB ALA 32 3HB ALA 32 7.884 7.313 -6.697 82 H GLU 33 H GLU 33 4.999 6.320 -4.163 83 HA GLU 33 HA GLU 33 5.452 3.956 -2.680 84 1HB GLU 33 1HB GLU 33 4.225 4.942 -1.118 85 2HB GLU 33 2HB GLU 33 4.313 6.355 -2.132 86 1HG GLU 33 1HG GLU 33 2.152 6.383 -2.245 87 2HG GLU 33 2HG GLU 33 1.990 4.660 -2.610 88 H GLN 34 H GLN 34 2.988 4.686 -5.125 89 HA GLN 34 HA GLN 34 1.410 2.422 -4.725 90 1HB GLN 34 1HB GLN 34 1.928 4.062 -7.229 91 2HB GLN 34 2HB GLN 34 0.827 2.694 -7.227 92 1HG GLN 34 1HG GLN 34 -0.353 3.703 -5.244 93 2HG GLN 34 2HG GLN 34 0.648 5.133 -5.419 94 1HE2 GLN 34 2HE2 GLN 34 -2.098 5.221 -5.467 95 2HE2 GLN 34 1HE2 GLN 34 -2.630 5.735 -7.074 96 H SER 35 H SER 35 4.542 2.647 -6.402 97 HA SER 35 HA SER 35 4.384 -0.031 -7.539 98 1HB SER 35 1HB SER 35 6.662 1.950 -7.097 99 2HB SER 35 2HB SER 35 6.843 0.361 -7.858 100 HG SER 35 HG SER 35 4.966 1.164 -9.228 101 H VAL 36 H VAL 36 5.248 1.309 -4.390 102 HA VAL 36 HA VAL 36 6.517 -1.161 -3.476 103 HB VAL 36 HB VAL 36 5.133 0.945 -1.723 104 1HG1 VAL 36 1HG1 VAL 36 5.686 -1.170 -0.603 105 2HG1 VAL 36 2HG1 VAL 36 7.375 -1.010 -1.131 106 3HG1 VAL 36 3HG1 VAL 36 6.675 0.165 0.007 107 1HG2 VAL 36 1HG2 VAL 36 8.041 0.934 -2.588 108 2HG2 VAL 36 2HG2 VAL 36 6.810 2.131 -3.078 109 3HG2 VAL 36 3HG2 VAL 36 7.302 2.024 -1.392 110 H LEU 37 H LEU 37 3.296 0.364 -3.010 111 HA LEU 37 HA LEU 37 2.089 -1.794 -1.679 112 1HB LEU 37 1HB LEU 37 0.759 0.084 -3.672 113 2HB LEU 37 2HB LEU 37 -0.069 -0.918 -2.480 114 HG LEU 37 HG LEU 37 1.797 1.407 -1.854 115 1HD1 LEU 37 1HD1 LEU 37 -0.346 2.061 -2.892 116 2HD1 LEU 37 2HD1 LEU 37 -1.231 1.130 -1.653 117 3HD1 LEU 37 3HD1 LEU 37 -0.244 2.542 -1.202 118 1HD2 LEU 37 1HD2 LEU 37 0.091 -0.278 0.038 119 2HD2 LEU 37 2HD2 LEU 37 1.871 -0.245 -0.023 120 3HD2 LEU 37 3HD2 LEU 37 0.986 1.199 0.461 121 H GLY 38 H GLY 38 2.173 -1.156 -5.216 122 1HA GLY 38 1HA GLY 38 0.796 -3.470 -6.072 123 2HA GLY 38 2HA GLY 38 1.997 -2.540 -6.985 124 H GLY 39 H GLY 39 4.374 -2.917 -5.514 125 1HA GLY 39 1HA GLY 39 5.184 -5.429 -6.503 126 2HA GLY 39 2HA GLY 39 6.087 -4.358 -5.426 127 H LEU 40 H LEU 40 3.813 -4.535 -3.377 128 HA LEU 40 HA LEU 40 4.843 -6.803 -1.928 129 1HB LEU 40 1HB LEU 40 2.488 -4.918 -1.511 130 2HB LEU 40 2HB LEU 40 2.832 -6.209 -0.387 131 HG LEU 40 HG LEU 40 4.811 -3.994 -1.080 132 1HD1 LEU 40 1HD1 LEU 40 2.714 -3.242 0.106 133 2HD1 LEU 40 2HD1 LEU 40 3.162 -4.322 1.446 134 3HD1 LEU 40 3HD1 LEU 40 4.202 -2.956 0.987 135 1HD2 LEU 40 1HD2 LEU 40 4.869 -6.335 0.827 136 2HD2 LEU 40 2HD2 LEU 40 6.088 -5.831 -0.356 137 3HD2 LEU 40 3HD2 LEU 40 5.843 -4.876 1.111 138 H MET 41 H MET 41 1.683 -6.297 -3.641 139 HA MET 41 HA MET 41 0.843 -9.039 -3.068 140 1HB MET 41 1HB MET 41 0.027 -7.251 -5.404 141 2HB MET 41 2HB MET 41 -0.717 -8.770 -4.931 142 1HG MET 41 1HG MET 41 -2.200 -7.438 -3.913 143 2HG MET 41 2HG MET 41 -1.052 -7.558 -2.602 144 1HE MET 41 1HE MET 41 -0.792 -5.296 -5.936 145 2HE MET 41 2HE MET 41 -2.514 -5.186 -5.484 146 3HE MET 41 3HE MET 41 -1.451 -3.782 -5.297 147 H LEU 42 H LEU 42 2.966 -7.483 -5.409 148 HA LEU 42 HA LEU 42 2.858 -9.637 -7.294 149 1HB LEU 42 1HB LEU 42 3.535 -7.000 -7.427 150 2HB LEU 42 2HB LEU 42 5.133 -7.720 -7.472 151 HG LEU 42 HG LEU 42 2.836 -8.665 -9.243 152 1HD1 LEU 42 1HD1 LEU 42 4.702 -6.356 -9.827 153 2HD1 LEU 42 2HD1 LEU 42 3.644 -7.142 -11.011 154 3HD1 LEU 42 3HD1 LEU 42 2.966 -6.312 -9.602 155 1HD2 LEU 42 1HD2 LEU 42 5.858 -8.940 -9.407 156 2HD2 LEU 42 2HD2 LEU 42 4.637 -10.212 -9.306 157 3HD2 LEU 42 3HD2 LEU 42 4.774 -9.270 -10.788 158 H ASP 43 H ASP 43 5.110 -8.791 -4.710 159 HA ASP 43 HA ASP 43 6.206 -11.540 -4.832 160 1HB ASP 43 1HB ASP 43 7.780 -10.094 -6.070 161 2HB ASP 43 2HB ASP 43 8.050 -9.137 -4.616 162 H ASN 44 H ASN 44 5.041 -11.999 -3.197 163 HA ASN 44 HA ASN 44 4.411 -10.428 -0.995 164 1HB ASN 44 1HB ASN 44 4.579 -13.466 -1.158 165 2HB ASN 44 2HB ASN 44 3.903 -12.579 0.201 166 1HD2 ASN 44 2HD2 ASN 44 1.765 -13.051 0.089 167 2HD2 ASN 44 1HD2 ASN 44 0.733 -12.622 -1.293 168 H GLU 45 H GLU 45 7.381 -12.256 -1.481 169 HA GLU 45 HA GLU 45 8.073 -12.109 1.409 170 1HB GLU 45 1HB GLU 45 9.660 -13.140 -0.981 171 2HB GLU 45 2HB GLU 45 10.248 -13.082 0.688 172 1HG GLU 45 1HG GLU 45 7.932 -14.343 1.191 173 2HG GLU 45 2HG GLU 45 8.091 -14.823 -0.496 174 H ARG 46 H ARG 46 8.295 -9.886 -1.233 175 HA ARG 46 HA ARG 46 10.616 -8.490 -0.090 176 1HB ARG 46 1HB ARG 46 8.510 -7.658 -2.121 177 2HB ARG 46 2HB ARG 46 9.865 -6.652 -1.633 178 1HG ARG 46 1HG ARG 46 10.374 -9.459 -2.671 179 2HG ARG 46 2HG ARG 46 10.037 -8.164 -3.789 180 1HD ARG 46 1HD ARG 46 12.110 -7.439 -1.798 181 2HD ARG 46 2HD ARG 46 12.528 -8.866 -2.754 182 HE ARG 46 HE ARG 46 11.707 -7.214 -4.700 183 1HH1 ARG 46 1HH1 ARG 46 14.047 -6.572 -2.029 184 2HH1 ARG 46 2HH1 ARG 46 15.022 -5.575 -3.021 185 1HH2 ARG 46 1HH2 ARG 46 12.966 -5.724 -5.876 186 2HH2 ARG 46 2HH2 ARG 46 14.415 -5.035 -5.179 187 H TRP 47 H TRP 47 7.434 -8.995 0.983 188 HA TRP 47 HA TRP 47 6.603 -6.672 2.230 189 1HB TRP 47 1HB TRP 47 5.397 -8.741 2.424 190 2HB TRP 47 2HB TRP 47 6.737 -9.504 3.258 191 HD1 TRP 47 HD1 TRP 47 6.910 -9.243 5.824 192 HE1 TRP 47 HE1 TRP 47 5.532 -8.108 7.647 193 HE3 TRP 47 HE3 TRP 47 3.891 -6.386 2.845 194 HZ2 TRP 47 HZ2 TRP 47 3.521 -6.026 7.791 195 HZ3 TRP 47 HZ3 TRP 47 2.383 -4.706 3.848 196 HH2 TRP 47 HH2 TRP 47 2.196 -4.490 6.290 197 H ASP 48 H ASP 48 9.097 -8.920 3.573 198 HA ASP 48 HA ASP 48 9.489 -7.393 5.938 199 1HB ASP 48 1HB ASP 48 10.386 -9.722 5.137 200 2HB ASP 48 2HB ASP 48 11.716 -8.885 4.453 201 H ASP 49 H ASP 49 10.782 -7.198 2.935 202 HA ASP 49 HA ASP 49 13.173 -5.542 3.390 203 1HB ASP 49 1HB ASP 49 12.445 -7.136 1.320 204 2HB ASP 49 2HB ASP 49 11.844 -5.630 0.652 205 H VAL 50 H VAL 50 9.985 -5.018 2.060 206 HA VAL 50 HA VAL 50 10.057 -2.154 1.889 207 HB VAL 50 HB VAL 50 8.026 -4.400 1.963 208 1HG1 VAL 50 1HG1 VAL 50 7.493 -1.382 1.704 209 2HG1 VAL 50 2HG1 VAL 50 6.316 -2.621 1.248 210 3HG1 VAL 50 3HG1 VAL 50 6.825 -2.471 2.936 211 1HG2 VAL 50 1HG2 VAL 50 8.941 -2.445 -0.206 212 2HG2 VAL 50 2HG2 VAL 50 9.333 -4.167 -0.102 213 3HG2 VAL 50 3HG2 VAL 50 7.667 -3.670 -0.418 214 H ALA 51 H ALA 51 8.762 -4.434 4.430 215 HA ALA 51 HA ALA 51 7.990 -2.309 6.139 216 1HB ALA 51 1HB ALA 51 7.032 -4.593 6.291 217 2HB ALA 51 2HB ALA 51 8.612 -5.240 6.769 218 3HB ALA 51 3HB ALA 51 7.754 -4.119 7.841 219 H GLU 52 H GLU 52 11.142 -3.665 5.575 220 HA GLU 52 HA GLU 52 12.419 -2.717 7.941 221 1HB GLU 52 1HB GLU 52 13.081 -4.006 5.404 222 2HB GLU 52 2HB GLU 52 14.155 -2.665 5.620 223 1HG GLU 52 1HG GLU 52 13.680 -4.711 7.813 224 2HG GLU 52 2HG GLU 52 14.801 -4.993 6.483 225 H ARG 53 H ARG 53 11.394 -1.374 4.881 226 HA ARG 53 HA ARG 53 13.130 1.018 5.122 227 1HB ARG 53 1HB ARG 53 11.524 -0.222 2.842 228 2HB ARG 53 2HB ARG 53 12.413 1.297 2.685 229 1HG ARG 53 1HG ARG 53 13.773 -1.284 3.586 230 2HG ARG 53 2HG ARG 53 13.602 -0.852 1.883 231 1HD ARG 53 1HD ARG 53 15.077 0.861 2.014 232 2HD ARG 53 2HD ARG 53 14.676 1.282 3.682 233 HE ARG 53 HE ARG 53 15.922 -1.171 3.893 234 1HH1 ARG 53 1HH1 ARG 53 16.717 1.971 2.491 235 2HH1 ARG 53 2HH1 ARG 53 18.426 1.867 2.802 236 1HH2 ARG 53 1HH2 ARG 53 18.104 -1.324 4.457 237 2HH2 ARG 53 2HH2 ARG 53 19.262 -0.230 3.769 238 H VAL 54 H VAL 54 9.693 0.096 5.294 239 HA VAL 54 HA VAL 54 9.044 2.886 5.979 240 HB VAL 54 HB VAL 54 6.928 2.404 4.586 241 1HG1 VAL 54 1HG1 VAL 54 9.515 2.993 3.130 242 2HG1 VAL 54 2HG1 VAL 54 7.891 3.313 2.508 243 3HG1 VAL 54 3HG1 VAL 54 8.456 4.161 3.960 244 1HG2 VAL 54 1HG2 VAL 54 7.318 0.052 4.008 245 2HG2 VAL 54 2HG2 VAL 54 7.090 1.083 2.586 246 3HG2 VAL 54 3HG2 VAL 54 8.708 0.547 3.009 247 H VAL 55 H VAL 55 6.914 3.002 6.987 248 HA VAL 55 HA VAL 55 5.732 0.451 7.925 249 HB VAL 55 HB VAL 55 5.216 1.573 10.098 250 1HG1 VAL 55 1HG1 VAL 55 7.112 -0.046 9.787 251 2HG1 VAL 55 2HG1 VAL 55 8.205 1.338 9.613 252 3HG1 VAL 55 3HG1 VAL 55 7.313 1.094 11.131 253 1HG2 VAL 55 1HG2 VAL 55 5.610 3.959 9.363 254 2HG2 VAL 55 2HG2 VAL 55 6.401 3.505 10.881 255 3HG2 VAL 55 3HG2 VAL 55 7.347 3.616 9.390 256 H ALA 56 H ALA 56 3.354 0.999 8.737 257 HA ALA 56 HA ALA 56 1.939 1.971 6.520 258 1HB ALA 56 1HB ALA 56 0.946 0.520 8.309 259 2HB ALA 56 2HB ALA 56 0.913 1.936 9.379 260 3HB ALA 56 3HB ALA 56 -0.047 1.922 7.888 261 H ASP 57 H ASP 57 3.317 3.708 9.194 262 HA ASP 57 HA ASP 57 1.613 6.026 9.047 263 1HB ASP 57 1HB ASP 57 3.022 4.996 11.007 264 2HB ASP 57 2HB ASP 57 4.360 5.920 10.348 265 H ASP 58 H ASP 58 4.494 5.068 7.380 266 HA ASP 58 HA ASP 58 5.506 7.708 6.755 267 1HB ASP 58 1HB ASP 58 6.046 4.913 5.669 268 2HB ASP 58 2HB ASP 58 6.775 6.356 5.009 269 H PHE 59 H PHE 59 3.498 5.244 5.171 270 HA PHE 59 HA PHE 59 3.000 6.628 2.681 271 1HB PHE 59 1HB PHE 59 1.288 4.654 4.207 272 2HB PHE 59 2HB PHE 59 1.122 5.073 2.510 273 HD1 PHE 59 HD1 PHE 59 3.653 4.749 1.250 274 HD2 PHE 59 HD2 PHE 59 2.133 2.568 4.600 275 HE1 PHE 59 HE1 PHE 59 4.994 2.783 0.563 276 HE2 PHE 59 HE2 PHE 59 3.676 0.683 4.064 277 HZ PHE 59 HZ PHE 59 4.989 0.724 1.976 278 H TYR 60 H TYR 60 0.894 7.666 2.192 279 HA TYR 60 HA TYR 60 0.042 9.275 4.599 280 1HB TYR 60 1HB TYR 60 1.680 10.445 3.231 281 2HB TYR 60 2HB TYR 60 0.612 10.321 1.836 282 HD1 TYR 60 HD1 TYR 60 0.517 11.478 5.437 283 HD2 TYR 60 HD2 TYR 60 -0.743 12.192 1.366 284 HE1 TYR 60 HE1 TYR 60 -0.692 13.497 6.172 285 HE2 TYR 60 HE2 TYR 60 -1.950 14.210 2.089 286 HH TYR 60 HH TYR 60 -2.096 15.227 5.544 287 H THR 61 H THR 61 -1.307 7.860 1.515 288 HA THR 61 HA THR 61 -3.666 9.494 2.061 289 HB THR 61 HB THR 61 -4.431 8.854 -0.039 290 HG1 THR 61 HG1 THR 61 -3.161 7.459 -1.358 291 1HG2 THR 61 1HG2 THR 61 -2.706 10.639 0.025 292 2HG2 THR 61 2HG2 THR 61 -1.453 9.412 -0.244 293 3HG2 THR 61 3HG2 THR 61 -2.662 9.722 -1.491 294 H ARG 62 H ARG 62 -5.803 8.643 2.118 295 HA ARG 62 HA ARG 62 -6.221 6.590 3.976 296 1HB ARG 62 1HB ARG 62 -7.847 8.326 3.421 297 2HB ARG 62 2HB ARG 62 -8.154 7.608 1.842 298 1HG ARG 62 1HG ARG 62 -9.088 5.598 2.835 299 2HG ARG 62 2HG ARG 62 -8.564 6.081 4.454 300 1HD ARG 62 1HD ARG 62 -10.644 7.509 2.753 301 2HD ARG 62 2HD ARG 62 -10.980 6.446 4.117 302 HE ARG 62 HE ARG 62 -9.695 7.998 5.547 303 1HH1 ARG 62 1HH1 ARG 62 -11.188 9.385 2.549 304 2HH1 ARG 62 2HH1 ARG 62 -11.123 11.000 3.188 305 1HH2 ARG 62 1HH2 ARG 62 -9.505 10.229 6.180 306 2HH2 ARG 62 2HH2 ARG 62 -10.235 11.460 5.203 307 HA PRO 63 HA PRO 63 -7.162 3.455 0.572 308 1HB PRO 63 1HB PRO 63 -6.013 3.690 -1.959 309 2HB PRO 63 2HB PRO 63 -7.624 4.357 -1.549 310 1HG PRO 63 1HG PRO 63 -5.024 5.851 -1.557 311 2HG PRO 63 2HG PRO 63 -6.588 6.303 -2.311 312 1HD PRO 63 1HD PRO 63 -5.951 7.289 0.080 313 2HD PRO 63 2HD PRO 63 -7.606 6.684 -0.192 314 H HIS 64 H HIS 64 -3.964 4.997 0.039 315 HA HIS 64 HA HIS 64 -2.455 2.642 -0.236 316 1HB HIS 64 1HB HIS 64 -1.780 5.412 0.840 317 2HB HIS 64 2HB HIS 64 -0.610 4.178 0.478 318 HD1 HIS 64 HD1 HIS 64 0.166 6.312 -1.034 319 HD2 HIS 64 HD2 HIS 64 -2.987 3.918 -2.383 320 HE1 HIS 64 HE1 HIS 64 0.141 6.548 -3.607 321 H ARG 65 H ARG 65 -3.216 4.573 2.697 322 HA ARG 65 HA ARG 65 -1.533 2.891 4.400 323 1HB ARG 65 1HB ARG 65 -3.634 5.016 4.999 324 2HB ARG 65 2HB ARG 65 -2.950 3.980 6.243 325 1HG ARG 65 1HG ARG 65 -0.621 4.684 5.180 326 2HG ARG 65 2HG ARG 65 -1.530 6.052 4.534 327 1HD ARG 65 1HD ARG 65 -1.186 5.213 7.441 328 2HD ARG 65 2HD ARG 65 -0.439 6.614 6.669 329 HE ARG 65 HE ARG 65 -2.906 7.303 6.218 330 1HH1 ARG 65 1HH1 ARG 65 -1.798 5.840 9.301 331 2HH1 ARG 65 2HH1 ARG 65 -3.286 6.153 10.102 332 1HH2 ARG 65 1HH2 ARG 65 -4.685 7.805 7.248 333 2HH2 ARG 65 2HH2 ARG 65 -4.993 7.399 8.929 334 H HIS 66 H HIS 66 -5.119 2.933 3.747 335 HA HIS 66 HA HIS 66 -5.708 0.815 5.376 336 1HB HIS 66 1HB HIS 66 -7.177 2.115 3.625 337 2HB HIS 66 2HB HIS 66 -6.821 0.729 2.588 338 HD1 HIS 66 HD1 HIS 66 -6.941 -1.614 4.863 339 HD2 HIS 66 HD2 HIS 66 -9.237 1.840 4.615 340 HE1 HIS 66 HE1 HIS 66 -8.955 -2.061 6.359 341 H ILE 67 H ILE 67 -4.294 0.628 2.074 342 HA ILE 67 HA ILE 67 -4.387 -2.188 1.850 343 HB ILE 67 HB ILE 67 -2.625 -0.076 0.555 344 1HG1 ILE 67 1HG1 ILE 67 -4.823 -1.814 -0.628 345 2HG1 ILE 67 2HG1 ILE 67 -5.198 -0.296 0.162 346 1HG2 ILE 67 1HG2 ILE 67 -2.734 -3.055 -0.042 347 2HG2 ILE 67 2HG2 ILE 67 -1.987 -1.847 -1.110 348 3HG2 ILE 67 3HG2 ILE 67 -1.320 -2.136 0.490 349 1HD1 ILE 67 1HD1 ILE 67 -3.744 0.935 -1.418 350 2HD1 ILE 67 2HD1 ILE 67 -3.431 -0.591 -2.277 351 3HD1 ILE 67 3HD1 ILE 67 -5.073 0.074 -2.219 352 H PHE 68 H PHE 68 -1.597 -0.112 2.964 353 HA PHE 68 HA PHE 68 -0.090 -2.429 3.622 354 1HB PHE 68 1HB PHE 68 0.736 -0.030 3.275 355 2HB PHE 68 2HB PHE 68 0.324 0.246 4.965 356 HD1 PHE 68 HD1 PHE 68 2.375 -1.845 2.629 357 HD2 PHE 68 HD2 PHE 68 1.790 -0.637 6.718 358 HE1 PHE 68 HE1 PHE 68 4.579 -2.808 3.247 359 HE2 PHE 68 HE2 PHE 68 4.025 -1.539 7.310 360 HZ PHE 68 HZ PHE 68 5.428 -2.617 5.565 361 H THR 69 H THR 69 -2.400 -0.543 5.691 362 HA THR 69 HA THR 69 -1.800 -1.956 8.110 363 HB THR 69 HB THR 69 -4.308 -0.581 7.046 364 HG1 THR 69 HG1 THR 69 -2.133 0.130 8.686 365 1HG2 THR 69 1HG2 THR 69 -3.802 -1.613 9.866 366 2HG2 THR 69 2HG2 THR 69 -5.113 -0.497 9.395 367 3HG2 THR 69 3HG2 THR 69 -5.081 -2.137 8.752 368 H GLU 70 H GLU 70 -3.975 -2.715 5.336 369 HA GLU 70 HA GLU 70 -5.174 -4.932 6.685 370 1HB GLU 70 1HB GLU 70 -6.062 -3.538 4.648 371 2HB GLU 70 2HB GLU 70 -5.002 -4.538 3.665 372 1HG GLU 70 1HG GLU 70 -7.171 -5.548 3.614 373 2HG GLU 70 2HG GLU 70 -6.194 -6.568 4.655 374 H MET 71 H MET 71 -2.507 -4.602 4.333 375 HA MET 71 HA MET 71 -1.774 -7.332 4.094 376 1HB MET 71 1HB MET 71 -0.133 -4.765 4.078 377 2HB MET 71 2HB MET 71 0.529 -6.347 3.677 378 1HG MET 71 1HG MET 71 -0.891 -6.570 1.761 379 2HG MET 71 2HG MET 71 -1.821 -5.137 2.187 380 1HE MET 71 1HE MET 71 -1.266 -4.778 -0.511 381 2HE MET 71 2HE MET 71 0.339 -4.325 -1.101 382 3HE MET 71 3HE MET 71 0.019 -6.003 -0.605 383 H ALA 72 H ALA 72 -0.591 -4.824 6.418 384 HA ALA 72 HA ALA 72 1.116 -6.488 7.878 385 1HB ALA 72 1HB ALA 72 1.051 -3.993 8.097 386 2HB ALA 72 2HB ALA 72 -0.514 -4.115 8.918 387 3HB ALA 72 3HB ALA 72 0.938 -4.804 9.666 388 H ARG 73 H ARG 73 -2.380 -5.803 8.460 389 HA ARG 73 HA ARG 73 -2.325 -7.434 10.845 390 1HB ARG 73 1HB ARG 73 -4.522 -6.865 11.188 391 2HB ARG 73 2HB ARG 73 -3.879 -5.460 10.334 392 1HG ARG 73 1HG ARG 73 -4.897 -6.468 8.219 393 2HG ARG 73 2HG ARG 73 -5.660 -7.680 9.261 394 1HD ARG 73 1HD ARG 73 -6.592 -5.654 10.589 395 2HD ARG 73 2HD ARG 73 -6.078 -4.672 9.215 396 HE ARG 73 HE ARG 73 -7.692 -5.603 7.867 397 1HH1 ARG 73 1HH1 ARG 73 -7.880 -7.145 11.054 398 2HH1 ARG 73 2HH1 ARG 73 -9.235 -8.124 10.675 399 1HH2 ARG 73 1HH2 ARG 73 -9.316 -6.919 7.289 400 2HH2 ARG 73 2HH2 ARG 73 -9.961 -8.174 8.285 401 H LEU 74 H LEU 74 -3.179 -8.165 7.385 402 HA LEU 74 HA LEU 74 -4.245 -10.745 7.890 403 1HB LEU 74 1HB LEU 74 -2.841 -9.318 5.580 404 2HB LEU 74 2HB LEU 74 -3.195 -11.009 5.451 405 HG LEU 74 HG LEU 74 -5.358 -8.959 6.049 406 1HD1 LEU 74 1HD1 LEU 74 -4.466 -10.091 3.350 407 2HD1 LEU 74 2HD1 LEU 74 -5.907 -9.085 3.632 408 3HD1 LEU 74 3HD1 LEU 74 -4.294 -8.409 3.894 409 1HD2 LEU 74 1HD2 LEU 74 -5.899 -11.364 6.568 410 2HD2 LEU 74 2HD2 LEU 74 -6.891 -10.701 5.272 411 3HD2 LEU 74 3HD2 LEU 74 -5.545 -11.765 4.868 412 H GLN 75 H GLN 75 -0.909 -9.629 7.128 413 HA GLN 75 HA GLN 75 0.304 -12.149 7.276 414 1HB GLN 75 1HB GLN 75 1.192 -9.712 6.674 415 2HB GLN 75 2HB GLN 75 1.454 -9.514 8.376 416 1HG GLN 75 1HG GLN 75 3.543 -10.081 7.612 417 2HG GLN 75 2HG GLN 75 2.960 -11.599 8.280 418 1HE2 GLN 75 2HE2 GLN 75 4.188 -9.990 5.470 419 2HE2 GLN 75 1HE2 GLN 75 4.172 -11.387 4.427 420 H GLU 76 H GLU 76 -0.540 -9.890 9.869 421 HA GLU 76 HA GLU 76 0.710 -11.264 11.984 422 1HB GLU 76 1HB GLU 76 -0.613 -8.923 11.775 423 2HB GLU 76 2HB GLU 76 -1.936 -9.894 12.327 424 1HG GLU 76 1HG GLU 76 -1.048 -9.145 14.364 425 2HG GLU 76 2HG GLU 76 -0.128 -10.653 14.207 426 H SER 77 H SER 77 -2.528 -11.710 10.521 427 HA SER 77 HA SER 77 -3.079 -13.991 12.311 428 1HB SER 77 1HB SER 77 -5.199 -14.031 10.812 429 2HB SER 77 2HB SER 77 -5.009 -12.865 12.113 430 HG SER 77 HG SER 77 -5.811 -11.900 10.276 431 H GLY 78 H GLY 78 -0.974 -13.763 9.835 432 1HA GLY 78 1HA GLY 78 0.137 -15.532 8.898 433 2HA GLY 78 2HA GLY 78 -1.053 -16.655 9.571 434 H SER 79 H SER 79 -1.959 -13.851 7.599 435 HA SER 79 HA SER 79 -2.994 -15.682 5.504 436 1HB SER 79 1HB SER 79 -3.902 -12.927 6.441 437 2HB SER 79 2HB SER 79 -4.483 -13.729 4.968 438 HG SER 79 HG SER 79 -5.222 -15.407 6.199 439 HA PRO 80 HA PRO 80 0.165 -13.707 3.132 440 1HB PRO 80 1HB PRO 80 -0.730 -14.064 0.566 441 2HB PRO 80 2HB PRO 80 -0.092 -15.387 1.542 442 1HG PRO 80 1HG PRO 80 -2.984 -14.652 1.100 443 2HG PRO 80 2HG PRO 80 -2.220 -16.271 1.034 444 1HD PRO 80 1HD PRO 80 -3.542 -15.405 3.251 445 2HD PRO 80 2HD PRO 80 -2.076 -16.427 3.372 446 H ILE 81 H ILE 81 0.521 -11.929 1.734 447 HA ILE 81 HA ILE 81 -1.589 -9.861 1.704 448 HB ILE 81 HB ILE 81 0.223 -8.336 1.222 449 1HG1 ILE 81 1HG1 ILE 81 2.095 -10.750 1.205 450 2HG1 ILE 81 2HG1 ILE 81 1.678 -9.729 -0.180 451 1HG2 ILE 81 1HG2 ILE 81 -0.336 -9.103 3.589 452 2HG2 ILE 81 2HG2 ILE 81 1.058 -10.191 3.511 453 3HG2 ILE 81 3HG2 ILE 81 1.295 -8.447 3.405 454 1HD1 ILE 81 1HD1 ILE 81 2.615 -7.759 1.136 455 2HD1 ILE 81 2HD1 ILE 81 3.239 -8.949 2.291 456 3HD1 ILE 81 3HD1 ILE 81 3.800 -8.971 0.607 457 H ASP 82 H ASP 82 -1.629 -12.304 0.054 458 HA ASP 82 HA ASP 82 -1.091 -11.724 -2.700 459 1HB ASP 82 1HB ASP 82 -1.699 -13.950 -1.326 460 2HB ASP 82 2HB ASP 82 -3.337 -13.544 -1.802 461 H LEU 83 H LEU 83 -2.616 -11.339 -4.365 462 HA LEU 83 HA LEU 83 -3.934 -8.913 -4.000 463 1HB LEU 83 1HB LEU 83 -2.997 -10.080 -6.138 464 2HB LEU 83 2HB LEU 83 -4.563 -10.829 -6.283 465 HG LEU 83 HG LEU 83 -4.540 -9.001 -7.752 466 1HD1 LEU 83 1HD1 LEU 83 -6.652 -9.076 -6.407 467 2HD1 LEU 83 2HD1 LEU 83 -6.005 -7.754 -5.411 468 3HD1 LEU 83 3HD1 LEU 83 -6.278 -7.512 -7.144 469 1HD2 LEU 83 1HD2 LEU 83 -2.582 -7.812 -6.735 470 2HD2 LEU 83 2HD2 LEU 83 -3.893 -6.731 -7.226 471 3HD2 LEU 83 3HD2 LEU 83 -3.680 -7.133 -5.512 472 H ILE 84 H ILE 84 -5.679 -12.143 -4.646 473 HA ILE 84 HA ILE 84 -8.151 -10.836 -4.401 474 HB ILE 84 HB ILE 84 -7.618 -13.771 -4.061 475 1HG1 ILE 84 1HG1 ILE 84 -6.084 -13.220 -5.905 476 2HG1 ILE 84 2HG1 ILE 84 -7.384 -14.228 -6.372 477 1HG2 ILE 84 1HG2 ILE 84 -9.770 -12.158 -5.535 478 2HG2 ILE 84 2HG2 ILE 84 -9.690 -13.916 -5.515 479 3HG2 ILE 84 3HG2 ILE 84 -9.970 -13.027 -4.014 480 1HD1 ILE 84 1HD1 ILE 84 -8.504 -12.285 -7.473 481 2HD1 ILE 84 2HD1 ILE 84 -7.152 -11.260 -6.905 482 3HD1 ILE 84 3HD1 ILE 84 -6.862 -12.552 -8.077 483 H THR 85 H THR 85 -6.047 -12.608 -2.135 484 HA THR 85 HA THR 85 -7.813 -12.875 0.006 485 HB THR 85 HB THR 85 -4.806 -12.410 0.127 486 HG1 THR 85 HG1 THR 85 -6.378 -14.700 -0.429 487 1HG2 THR 85 1HG2 THR 85 -6.667 -13.974 1.976 488 2HG2 THR 85 2HG2 THR 85 -4.901 -13.840 2.125 489 3HG2 THR 85 3HG2 THR 85 -5.903 -12.408 2.343 490 H LEU 86 H LEU 86 -5.521 -10.324 -0.706 491 HA LEU 86 HA LEU 86 -6.105 -8.542 1.413 492 1HB LEU 86 1HB LEU 86 -4.134 -8.457 -0.132 493 2HB LEU 86 2HB LEU 86 -5.179 -8.057 -1.464 494 HG LEU 86 HG LEU 86 -5.797 -5.897 -0.342 495 1HD1 LEU 86 1HD1 LEU 86 -3.579 -6.721 1.590 496 2HD1 LEU 86 2HD1 LEU 86 -4.263 -5.085 1.461 497 3HD1 LEU 86 3HD1 LEU 86 -5.283 -6.432 1.996 498 1HD2 LEU 86 1HD2 LEU 86 -4.094 -6.078 -2.113 499 2HD2 LEU 86 2HD2 LEU 86 -3.680 -4.822 -0.947 500 3HD2 LEU 86 3HD2 LEU 86 -2.848 -6.396 -0.894 501 H ALA 87 H ALA 87 -7.309 -8.608 -1.889 502 HA ALA 87 HA ALA 87 -9.002 -6.350 -1.733 503 1HB ALA 87 1HB ALA 87 -8.357 -7.547 -3.860 504 2HB ALA 87 2HB ALA 87 -9.485 -8.846 -3.428 505 3HB ALA 87 3HB ALA 87 -10.093 -7.198 -3.718 506 H GLU 88 H GLU 88 -9.847 -9.814 -1.199 507 HA GLU 88 HA GLU 88 -12.542 -9.117 -0.427 508 1HB GLU 88 1HB GLU 88 -10.993 -11.684 -0.050 509 2HB GLU 88 2HB GLU 88 -12.691 -11.429 0.421 510 1HG GLU 88 1HG GLU 88 -13.041 -10.546 -2.007 511 2HG GLU 88 2HG GLU 88 -11.526 -11.365 -2.386 512 H SER 89 H SER 89 -9.507 -9.343 1.427 513 HA SER 89 HA SER 89 -10.791 -9.255 3.971 514 1HB SER 89 1HB SER 89 -8.392 -9.868 3.477 515 2HB SER 89 2HB SER 89 -8.055 -8.129 3.318 516 HG SER 89 HG SER 89 -8.556 -7.825 5.418 517 H LEU 90 H LEU 90 -9.657 -6.671 1.787 518 HA LEU 90 HA LEU 90 -10.532 -4.452 3.374 519 1HB LEU 90 1HB LEU 90 -10.023 -4.957 0.447 520 2HB LEU 90 2HB LEU 90 -10.872 -3.487 0.902 521 HG LEU 90 HG LEU 90 -8.316 -4.206 2.334 522 1HD1 LEU 90 1HD1 LEU 90 -8.491 -2.859 -0.372 523 2HD1 LEU 90 2HD1 LEU 90 -7.033 -2.918 0.655 524 3HD1 LEU 90 3HD1 LEU 90 -7.717 -4.413 0.006 525 1HD2 LEU 90 1HD2 LEU 90 -9.714 -1.582 1.627 526 2HD2 LEU 90 2HD2 LEU 90 -9.604 -2.321 3.229 527 3HD2 LEU 90 3HD2 LEU 90 -8.145 -1.700 2.436 528 H GLU 91 H GLU 91 -12.345 -6.644 1.167 529 HA GLU 91 HA GLU 91 -14.824 -5.280 1.562 530 1HB GLU 91 1HB GLU 91 -13.861 -7.463 0.011 531 2HB GLU 91 2HB GLU 91 -15.102 -8.154 1.075 532 1HG GLU 91 1HG GLU 91 -16.574 -6.233 0.436 533 2HG GLU 91 2HG GLU 91 -15.345 -5.750 -0.750 534 H ARG 92 H ARG 92 -13.249 -7.898 3.449 535 HA ARG 92 HA ARG 92 -15.403 -8.240 5.321 536 1HB ARG 92 1HB ARG 92 -12.452 -8.319 6.044 537 2HB ARG 92 2HB ARG 92 -13.763 -9.044 6.928 538 1HG ARG 92 1HG ARG 92 -12.961 -9.980 4.146 539 2HG ARG 92 2HG ARG 92 -12.234 -10.568 5.621 540 1HD ARG 92 1HD ARG 92 -14.526 -11.252 6.388 541 2HD ARG 92 2HD ARG 92 -15.136 -10.873 4.776 542 HE ARG 92 HE ARG 92 -12.990 -12.546 4.301 543 1HH1 ARG 92 1HH1 ARG 92 -16.089 -12.878 5.985 544 2HH1 ARG 92 2HH1 ARG 92 -15.836 -14.516 6.469 545 1HH2 ARG 92 1HH2 ARG 92 -12.847 -14.856 4.533 546 2HH2 ARG 92 2HH2 ARG 92 -14.069 -15.708 5.421 547 H GLN 93 H GLN 93 -12.901 -5.754 5.036 548 HA GLN 93 HA GLN 93 -13.673 -4.373 7.483 549 1HB GLN 93 1HB GLN 93 -12.083 -3.451 5.051 550 2HB GLN 93 2HB GLN 93 -12.252 -2.521 6.522 551 1HG GLN 93 1HG GLN 93 -11.122 -5.339 6.647 552 2HG GLN 93 2HG GLN 93 -10.155 -3.989 6.080 553 1HE2 GLN 93 2HE2 GLN 93 -8.746 -3.830 7.763 554 2HE2 GLN 93 1HE2 GLN 93 -9.209 -3.562 9.451 555 H GLY 94 H GLY 94 -15.183 -4.556 4.321 556 1HA GLY 94 1HA GLY 94 -16.739 -3.276 3.277 557 2HA GLY 94 2HA GLY 94 -17.120 -2.536 4.845 558 H GLN 95 H GLN 95 -14.006 -2.582 3.099 559 HA GLN 95 HA GLN 95 -14.114 0.330 2.610 560 1HB GLN 95 1HB GLN 95 -11.975 -1.196 4.158 561 2HB GLN 95 2HB GLN 95 -11.673 0.384 3.457 562 1HG GLN 95 1HG GLN 95 -13.819 -0.150 5.544 563 2HG GLN 95 2HG GLN 95 -12.222 0.498 5.869 564 1HE2 GLN 95 2HE2 GLN 95 -15.334 1.184 4.344 565 2HE2 GLN 95 1HE2 GLN 95 -15.153 2.912 4.215 566 H LEU 96 H LEU 96 -14.110 -2.394 0.991 567 HA LEU 96 HA LEU 96 -11.724 -2.225 -0.618 568 1HB LEU 96 1HB LEU 96 -13.146 -4.230 -0.500 569 2HB LEU 96 2HB LEU 96 -14.438 -3.353 -1.332 570 HG LEU 96 HG LEU 96 -13.038 -3.104 -3.337 571 1HD1 LEU 96 1HD1 LEU 96 -10.908 -4.589 -1.731 572 2HD1 LEU 96 2HD1 LEU 96 -10.873 -4.414 -3.493 573 3HD1 LEU 96 3HD1 LEU 96 -10.763 -2.982 -2.478 574 1HD2 LEU 96 1HD2 LEU 96 -13.104 -5.920 -2.216 575 2HD2 LEU 96 2HD2 LEU 96 -14.435 -5.091 -3.056 576 3HD2 LEU 96 3HD2 LEU 96 -12.952 -5.491 -3.940 577 H ASP 97 H ASP 97 -14.966 -0.666 -0.846 578 HA ASP 97 HA ASP 97 -14.398 0.745 -3.319 579 1HB ASP 97 1HB ASP 97 -16.682 0.596 -2.479 580 2HB ASP 97 2HB ASP 97 -16.215 1.425 -0.979 581 H SER 98 H SER 98 -13.691 1.276 0.104 582 HA SER 98 HA SER 98 -12.939 3.991 -0.075 583 1HB SER 98 1HB SER 98 -13.431 2.338 1.958 584 2HB SER 98 2HB SER 98 -11.665 2.180 1.960 585 HG SER 98 HG SER 98 -12.434 3.790 3.334 586 H VAL 99 H VAL 99 -11.114 1.056 -0.958 587 HA VAL 99 HA VAL 99 -8.704 2.704 -1.228 588 HB VAL 99 HB VAL 99 -7.522 0.760 -1.978 589 1HG1 VAL 99 1HG1 VAL 99 -7.610 1.285 0.404 590 2HG1 VAL 99 2HG1 VAL 99 -9.103 0.359 0.602 591 3HG1 VAL 99 3HG1 VAL 99 -7.589 -0.465 0.176 592 1HG2 VAL 99 1HG2 VAL 99 -9.516 -0.448 -3.036 593 2HG2 VAL 99 2HG2 VAL 99 -8.402 -1.423 -2.088 594 3HG2 VAL 99 3HG2 VAL 99 -9.953 -0.937 -1.378 595 H GLY 100 H GLY 100 -11.421 2.038 -3.110 596 1HA GLY 100 1HA GLY 100 -11.672 3.238 -5.224 597 2HA GLY 100 2HA GLY 100 -10.021 2.795 -5.652 598 H GLY 101 H GLY 101 -11.861 0.269 -4.081 599 1HA GLY 101 1HA GLY 101 -13.128 -1.479 -4.881 600 2HA GLY 101 2HA GLY 101 -12.925 -0.917 -6.546 601 H PHE 102 H PHE 102 -12.603 -3.550 -6.168 602 HA PHE 102 HA PHE 102 -10.027 -4.593 -5.658 603 1HB PHE 102 1HB PHE 102 -12.119 -5.883 -6.088 604 2HB PHE 102 2HB PHE 102 -12.075 -5.399 -7.771 605 HD1 PHE 102 HD1 PHE 102 -9.874 -6.068 -9.137 606 HD2 PHE 102 HD2 PHE 102 -11.230 -7.945 -5.489 607 HE1 PHE 102 HE1 PHE 102 -8.463 -8.034 -9.614 608 HE2 PHE 102 HE2 PHE 102 -9.811 -9.899 -5.973 609 HZ PHE 102 HZ PHE 102 -8.403 -9.934 -8.035 610 H ALA 103 H ALA 103 -11.390 -3.004 -8.551 611 HA ALA 103 HA ALA 103 -9.306 -3.400 -10.336 612 1HB ALA 103 1HB ALA 103 -11.470 -2.427 -10.960 613 2HB ALA 103 2HB ALA 103 -11.091 -0.948 -10.035 614 3HB ALA 103 3HB ALA 103 -10.148 -1.366 -11.473 615 H TYR 104 H TYR 104 -9.327 -1.114 -7.574 616 HA TYR 104 HA TYR 104 -7.073 0.440 -8.530 617 1HB TYR 104 1HB TYR 104 -8.772 1.157 -6.823 618 2HB TYR 104 2HB TYR 104 -8.068 0.025 -5.682 619 HD1 TYR 104 HD1 TYR 104 -7.676 3.226 -7.455 620 HD2 TYR 104 HD2 TYR 104 -5.850 0.495 -4.656 621 HE1 TYR 104 HE1 TYR 104 -6.249 5.053 -6.616 622 HE2 TYR 104 HE2 TYR 104 -4.436 2.339 -3.791 623 HH TYR 104 HH TYR 104 -4.657 5.693 -5.053 624 H LEU 105 H LEU 105 -7.497 -2.422 -6.400 625 HA LEU 105 HA LEU 105 -4.700 -2.669 -5.704 626 1HB LEU 105 1HB LEU 105 -6.845 -4.833 -5.815 627 2HB LEU 105 2HB LEU 105 -5.307 -4.936 -4.969 628 HG LEU 105 HG LEU 105 -7.516 -2.926 -4.303 629 1HD1 LEU 105 1HD1 LEU 105 -8.233 -5.206 -3.885 630 2HD1 LEU 105 2HD1 LEU 105 -6.770 -5.524 -2.918 631 3HD1 LEU 105 3HD1 LEU 105 -7.980 -4.332 -2.373 632 1HD2 LEU 105 1HD2 LEU 105 -4.948 -3.653 -2.824 633 2HD2 LEU 105 2HD2 LEU 105 -5.322 -2.097 -3.596 634 3HD2 LEU 105 3HD2 LEU 105 -6.253 -2.625 -2.192 635 H ALA 106 H ALA 106 -6.762 -4.136 -8.225 636 HA ALA 106 HA ALA 106 -4.745 -5.691 -9.475 637 1HB ALA 106 1HB ALA 106 -7.251 -4.364 -10.583 638 2HB ALA 106 2HB ALA 106 -6.266 -5.542 -11.461 639 3HB ALA 106 3HB ALA 106 -7.098 -6.021 -9.966 640 H GLU 107 H GLU 107 -5.688 -2.298 -9.935 641 HA GLU 107 HA GLU 107 -3.974 -1.709 -12.140 642 1HB GLU 107 1HB GLU 107 -5.837 -0.251 -11.569 643 2HB GLU 107 2HB GLU 107 -5.176 0.051 -9.972 644 1HG GLU 107 1HG GLU 107 -4.761 1.985 -11.183 645 2HG GLU 107 2HG GLU 107 -3.194 1.194 -11.079 646 H LEU 108 H LEU 108 -3.496 -1.352 -8.565 647 HA LEU 108 HA LEU 108 -0.836 -0.393 -8.689 648 1HB LEU 108 1HB LEU 108 -2.196 -2.141 -6.607 649 2HB LEU 108 2HB LEU 108 -0.605 -1.424 -6.386 650 HG LEU 108 HG LEU 108 -3.147 0.201 -6.815 651 1HD1 LEU 108 1HD1 LEU 108 -1.629 -0.522 -4.278 652 2HD1 LEU 108 2HD1 LEU 108 -2.953 0.652 -4.381 653 3HD1 LEU 108 3HD1 LEU 108 -3.261 -1.058 -4.723 654 1HD2 LEU 108 1HD2 LEU 108 -0.375 1.030 -5.922 655 2HD2 LEU 108 2HD2 LEU 108 -1.150 1.435 -7.476 656 3HD2 LEU 108 3HD2 LEU 108 -1.826 2.067 -5.972 657 H SER 109 H SER 109 -2.024 -3.753 -8.603 658 HA SER 109 HA SER 109 0.495 -5.056 -8.651 659 1HB SER 109 1HB SER 109 -1.963 -5.936 -8.356 660 2HB SER 109 2HB SER 109 -1.943 -6.140 -10.108 661 HG SER 109 HG SER 109 -0.081 -7.502 -9.816 662 H LYS 110 H LYS 110 -1.457 -3.663 -11.333 663 HA LYS 110 HA LYS 110 0.509 -4.448 -13.370 664 1HB LYS 110 1HB LYS 110 -2.093 -2.935 -13.325 665 2HB LYS 110 2HB LYS 110 -0.931 -2.492 -14.568 666 1HG LYS 110 1HG LYS 110 -2.363 -4.130 -15.521 667 2HG LYS 110 2HG LYS 110 -0.762 -4.805 -15.324 668 1HD LYS 110 1HD LYS 110 -2.091 -6.572 -14.684 669 2HD LYS 110 2HD LYS 110 -1.733 -5.876 -13.108 670 1HE LYS 110 1HE LYS 110 -3.949 -4.684 -13.181 671 2HE LYS 110 2HE LYS 110 -4.240 -5.368 -14.781 672 1HZ LYS 110 1HZ LYS 110 -4.032 -7.593 -13.729 673 2HZ LYS 110 2HZ LYS 110 -4.075 -6.886 -12.250 674 3HZ LYS 110 3HZ LYS 110 -5.354 -6.773 -13.285 675 H ASN 111 H ASN 111 0.493 -1.986 -10.991 676 HA ASN 111 HA ASN 111 1.848 -0.030 -12.677 677 1HB ASN 111 1HB ASN 111 0.030 0.239 -10.612 678 2HB ASN 111 2HB ASN 111 1.515 0.510 -9.738 679 1HD2 ASN 111 2HD2 ASN 111 -0.610 1.598 -12.278 680 2HD2 ASN 111 1HD2 ASN 111 -0.164 3.290 -12.239 681 H THR 112 H THR 112 3.217 -2.507 -11.854 682 HA THR 112 HA THR 112 5.584 -1.279 -10.540 683 HB THR 112 HB THR 112 4.502 -3.944 -9.604 684 HG1 THR 112 HG1 THR 112 2.954 -2.480 -9.011 685 1HG2 THR 112 1HG2 THR 112 6.913 -3.415 -9.153 686 2HG2 THR 112 2HG2 THR 112 6.420 -1.889 -8.389 687 3HG2 THR 112 3HG2 THR 112 5.961 -3.438 -7.675 688 HA PRO 113 HA PRO 113 7.655 -3.922 -13.591 689 1HB PRO 113 1HB PRO 113 10.241 -3.318 -13.039 690 2HB PRO 113 2HB PRO 113 9.134 -2.127 -13.782 691 1HG PRO 113 1HG PRO 113 9.812 -2.391 -10.825 692 2HG PRO 113 2HG PRO 113 9.914 -0.922 -11.845 693 1HD PRO 113 1HD PRO 113 7.748 -1.463 -10.316 694 2HD PRO 113 2HD PRO 113 7.566 -0.712 -11.927 695 H SER 114 H SER 114 6.536 -5.539 -12.099 696 HA SER 114 HA SER 114 6.437 -7.329 -10.792 697 1HB SER 114 1HB SER 114 9.420 -7.676 -11.180 698 2HB SER 114 2HB SER 114 8.250 -8.912 -10.676 699 HG SER 114 HG SER 114 7.332 -8.845 -12.688 700 H ALA 115 H ALA 115 9.666 -6.927 -9.367 701 HA ALA 115 HA ALA 115 8.618 -5.168 -7.252 702 1HB ALA 115 1HB ALA 115 8.266 -7.439 -6.367 703 2HB ALA 115 2HB ALA 115 9.977 -7.831 -6.665 704 3HB ALA 115 3HB ALA 115 9.535 -6.585 -5.478 705 H ALA 116 H ALA 116 10.507 -5.116 -9.684 706 HA ALA 116 HA ALA 116 13.189 -4.884 -8.699 707 1HB ALA 116 1HB ALA 116 12.621 -5.109 -11.121 708 2HB ALA 116 2HB ALA 116 11.821 -3.524 -11.073 709 3HB ALA 116 3HB ALA 116 13.565 -3.640 -10.804 710 H ASN 117 H ASN 117 14.202 -3.164 -7.792 711 HA ASN 117 HA ASN 117 14.598 -1.191 -6.817 712 1HB ASN 117 1HB ASN 117 12.540 -0.030 -8.717 713 2HB ASN 117 2HB ASN 117 13.706 0.882 -7.780 714 1HD2 ASN 117 2HD2 ASN 117 13.382 0.645 -10.799 715 2HD2 ASN 117 1HD2 ASN 117 15.017 0.235 -11.297 716 H ILE 118 H ILE 118 12.201 -2.938 -5.811 717 HA ILE 118 HA ILE 118 10.292 -1.226 -4.762 718 HB ILE 118 HB ILE 118 10.555 -3.833 -4.777 719 1HG1 ILE 118 1HG1 ILE 118 8.891 -2.368 -2.692 720 2HG1 ILE 118 2HG1 ILE 118 8.505 -2.458 -4.410 721 1HG2 ILE 118 1HG2 ILE 118 12.297 -3.966 -3.020 722 2HG2 ILE 118 2HG2 ILE 118 11.094 -3.398 -1.837 723 3HG2 ILE 118 3HG2 ILE 118 10.864 -4.930 -2.691 724 1HD1 ILE 118 1HD1 ILE 118 8.269 -4.917 -4.258 725 2HD1 ILE 118 2HD1 ILE 118 8.569 -4.827 -2.506 726 3HD1 ILE 118 3HD1 ILE 118 7.146 -4.042 -3.197 727 H SER 119 H SER 119 13.318 -2.139 -3.280 728 HA SER 119 HA SER 119 12.911 -0.585 -0.911 729 1HB SER 119 1HB SER 119 14.799 -2.183 -1.056 730 2HB SER 119 2HB SER 119 15.642 -1.061 -2.142 731 HG SER 119 HG SER 119 15.348 0.543 -0.342 732 H ALA 120 H ALA 120 14.112 0.383 -4.059 733 HA ALA 120 HA ALA 120 14.929 3.030 -3.221 734 1HB ALA 120 1HB ALA 120 15.677 2.020 -5.391 735 2HB ALA 120 2HB ALA 120 14.025 2.235 -6.019 736 3HB ALA 120 3HB ALA 120 14.990 3.646 -5.569 737 H TYR 121 H TYR 121 11.863 1.723 -4.540 738 HA TYR 121 HA TYR 121 10.398 4.182 -4.518 739 1HB TYR 121 1HB TYR 121 9.526 1.274 -4.324 740 2HB TYR 121 2HB TYR 121 8.441 2.636 -4.505 741 HD1 TYR 121 HD1 TYR 121 9.105 4.275 -6.583 742 HD2 TYR 121 HD2 TYR 121 9.859 0.047 -6.322 743 HE1 TYR 121 HE1 TYR 121 8.984 4.104 -9.030 744 HE2 TYR 121 HE2 TYR 121 9.813 -0.132 -8.763 745 HH TYR 121 HH TYR 121 8.862 2.616 -10.835 746 H ALA 122 H ALA 122 10.791 1.596 -2.027 747 HA ALA 122 HA ALA 122 9.099 2.837 -0.070 748 1HB ALA 122 1HB ALA 122 9.727 0.454 -0.003 749 2HB ALA 122 2HB ALA 122 11.429 0.900 0.273 750 3HB ALA 122 3HB ALA 122 10.199 1.291 1.488 751 H ASP 123 H ASP 123 12.615 3.083 -0.672 752 HA ASP 123 HA ASP 123 13.224 4.750 1.566 753 1HB ASP 123 1HB ASP 123 14.627 4.239 -1.089 754 2HB ASP 123 2HB ASP 123 15.261 5.345 0.124 755 H ILE 124 H ILE 124 12.096 5.426 -1.755 756 HA ILE 124 HA ILE 124 12.139 8.277 -1.552 757 HB ILE 124 HB ILE 124 10.491 6.355 -3.216 758 1HG1 ILE 124 1HG1 ILE 124 12.250 8.614 -4.166 759 2HG1 ILE 124 2HG1 ILE 124 12.948 7.076 -3.692 760 1HG2 ILE 124 1HG2 ILE 124 10.134 9.370 -3.079 761 2HG2 ILE 124 2HG2 ILE 124 9.531 8.370 -4.410 762 3HG2 ILE 124 3HG2 ILE 124 8.895 8.123 -2.793 763 1HD1 ILE 124 1HD1 ILE 124 10.818 7.363 -5.853 764 2HD1 ILE 124 2HD1 ILE 124 12.546 7.162 -6.135 765 3HD1 ILE 124 3HD1 ILE 124 11.628 5.865 -5.362 766 H VAL 125 H VAL 125 9.487 5.921 -0.810 767 HA VAL 125 HA VAL 125 7.679 7.815 0.183 768 HB VAL 125 HB VAL 125 8.132 4.881 0.756 769 1HG1 VAL 125 1HG1 VAL 125 7.074 5.828 2.826 770 2HG1 VAL 125 2HG1 VAL 125 5.770 6.501 1.822 771 3HG1 VAL 125 3HG1 VAL 125 6.038 4.750 1.946 772 1HG2 VAL 125 1HG2 VAL 125 7.161 5.684 -1.496 773 2HG2 VAL 125 2HG2 VAL 125 6.153 4.594 -0.548 774 3HG2 VAL 125 3HG2 VAL 125 5.823 6.351 -0.554 775 H ARG 126 H ARG 126 10.076 5.916 2.150 776 HA ARG 126 HA ARG 126 9.228 7.194 4.551 777 1HB ARG 126 1HB ARG 126 10.489 5.034 4.320 778 2HB ARG 126 2HB ARG 126 11.968 5.950 4.091 779 1HG ARG 126 1HG ARG 126 10.298 6.701 6.486 780 2HG ARG 126 2HG ARG 126 10.933 5.065 6.515 781 1HD ARG 126 1HD ARG 126 12.636 7.559 6.134 782 2HD ARG 126 2HD ARG 126 12.381 6.715 7.674 783 HE ARG 126 HE ARG 126 13.213 4.728 5.950 784 1HH1 ARG 126 1HH1 ARG 126 14.755 7.723 7.133 785 2HH1 ARG 126 2HH1 ARG 126 16.331 7.219 6.588 786 1HH2 ARG 126 1HH2 ARG 126 15.209 4.103 5.440 787 2HH2 ARG 126 2HH2 ARG 126 16.654 4.990 5.859 788 H GLU 127 H GLU 127 11.851 8.119 2.227 789 HA GLU 127 HA GLU 127 12.785 10.288 3.858 790 1HB GLU 127 1HB GLU 127 13.888 9.355 1.763 791 2HB GLU 127 2HB GLU 127 12.675 10.178 0.796 792 1HG GLU 127 1HG GLU 127 13.348 12.362 1.715 793 2HG GLU 127 2HG GLU 127 14.481 11.576 2.817 794 H ARG 128 H ARG 128 10.421 10.108 1.253 795 HA ARG 128 HA ARG 128 9.608 12.848 1.428 796 1HB ARG 128 1HB ARG 128 8.074 10.489 0.295 797 2HB ARG 128 2HB ARG 128 7.595 12.175 0.105 798 1HG ARG 128 1HG ARG 128 10.337 11.205 -0.770 799 2HG ARG 128 2HG ARG 128 8.931 11.096 -1.807 800 1HD ARG 128 1HD ARG 128 8.856 13.368 -2.200 801 2HD ARG 128 2HD ARG 128 9.448 13.777 -0.587 802 HE ARG 128 HE ARG 128 11.577 13.870 -1.362 803 1HH1 ARG 128 1HH1 ARG 128 9.823 11.844 -3.715 804 2HH1 ARG 128 2HH1 ARG 128 11.254 11.430 -4.588 805 1HH2 ARG 128 1HH2 ARG 128 13.336 13.480 -2.513 806 2HH2 ARG 128 2HH2 ARG 128 13.410 12.393 -3.859 807 H ALA 129 H ALA 129 8.676 10.104 3.409 808 HA ALA 129 HA ALA 129 6.393 11.335 4.648 809 1HB ALA 129 1HB ALA 129 6.873 8.876 4.719 810 2HB ALA 129 2HB ALA 129 8.253 9.196 5.779 811 3HB ALA 129 3HB ALA 129 6.625 9.599 6.322 812 H VAL 130 H VAL 130 9.884 11.003 5.595 813 HA VAL 130 HA VAL 130 9.710 12.620 7.934 814 HB VAL 130 HB VAL 130 11.998 11.916 6.051 815 1HG1 VAL 130 1HG1 VAL 130 12.121 13.359 8.731 816 2HG1 VAL 130 2HG1 VAL 130 13.508 12.599 7.930 817 3HG1 VAL 130 3HG1 VAL 130 12.691 13.952 7.147 818 1HG2 VAL 130 1HG2 VAL 130 10.974 10.025 7.346 819 2HG2 VAL 130 2HG2 VAL 130 12.638 10.361 7.826 820 3HG2 VAL 130 3HG2 VAL 130 11.293 10.913 8.844 821 H VAL 131 H VAL 131 10.430 13.442 4.528 822 HA VAL 131 HA VAL 131 10.749 16.242 4.907 823 HB VAL 131 HB VAL 131 9.935 14.517 2.562 824 1HG1 VAL 131 1HG1 VAL 131 10.459 17.496 2.483 825 2HG1 VAL 131 2HG1 VAL 131 10.377 16.424 1.060 826 3HG1 VAL 131 3HG1 VAL 131 8.940 16.663 2.057 827 1HG2 VAL 131 1HG2 VAL 131 12.307 14.368 3.424 828 2HG2 VAL 131 2HG2 VAL 131 12.196 14.952 1.764 829 3HG2 VAL 131 3HG2 VAL 131 12.489 16.096 3.093 830 H ARG 132 H ARG 132 7.776 14.284 4.261 831 HA ARG 132 HA ARG 132 5.964 16.480 4.178 832 1HB ARG 132 1HB ARG 132 5.312 14.492 3.231 833 2HB ARG 132 2HB ARG 132 5.692 13.515 4.636 834 1HG ARG 132 1HG ARG 132 3.462 15.546 4.804 835 2HG ARG 132 2HG ARG 132 3.203 14.056 3.911 836 1HD ARG 132 1HD ARG 132 4.178 14.089 6.792 837 2HD ARG 132 2HD ARG 132 2.476 13.962 6.317 838 HE ARG 132 HE ARG 132 3.726 11.955 4.893 839 1HH1 ARG 132 1HH1 ARG 132 3.488 12.736 8.357 840 2HH1 ARG 132 2HH1 ARG 132 3.409 11.089 8.873 841 1HH2 ARG 132 1HH2 ARG 132 3.744 9.688 5.597 842 2HH2 ARG 132 2HH2 ARG 132 3.473 9.356 7.242 843 H GLU 133 H GLU 133 7.703 15.159 6.875 844 HA GLU 133 HA GLU 133 5.905 16.445 8.779 845 1HB GLU 133 1HB GLU 133 6.627 14.992 10.133 846 2HB GLU 133 2HB GLU 133 7.726 14.399 8.949 847 1HG GLU 133 1HG GLU 133 8.831 14.874 11.098 848 2HG GLU 133 2HG GLU 133 9.508 15.888 9.827 849 H MET 134 H MET 134 9.217 16.771 7.588 850 HA MET 134 HA MET 134 9.934 19.158 8.874 851 1HB MET 134 1HB MET 134 11.186 17.057 8.054 852 2HB MET 134 2HB MET 134 11.226 17.821 6.465 853 1HG MET 134 1HG MET 134 12.525 19.689 7.446 854 2HG MET 134 2HG MET 134 12.428 18.925 9.032 855 1HE MET 134 1HE MET 134 13.638 16.710 9.725 856 2HE MET 134 2HE MET 134 12.921 15.770 8.417 857 3HE MET 134 3HE MET 134 14.678 15.744 8.661 858 H ILE 135 H ILE 135 7.605 19.546 7.080 859 HA ILE 135 HA ILE 135 8.337 20.749 4.597 860 HB ILE 135 HB ILE 135 5.820 20.600 6.296 861 1HG1 ILE 135 1HG1 ILE 135 6.499 18.532 5.331 862 2HG1 ILE 135 2HG1 ILE 135 5.013 19.061 4.614 863 1HG2 ILE 135 1HG2 ILE 135 5.964 21.869 3.561 864 2HG2 ILE 135 2HG2 ILE 135 4.469 21.352 4.367 865 3HG2 ILE 135 3HG2 ILE 135 5.463 22.622 5.088 866 1HD1 ILE 135 1HD1 ILE 135 6.315 19.849 2.574 867 2HD1 ILE 135 2HD1 ILE 135 7.789 19.199 3.313 868 3HD1 ILE 135 3HD1 ILE 135 6.476 18.115 2.884 869 H SER 136 H SER 136 8.225 22.839 3.870 870 HA SER 136 HA SER 136 8.076 25.083 5.805 871 1HB SER 136 1HB SER 136 9.903 24.897 3.371 872 2HB SER 136 2HB SER 136 9.783 26.257 4.497 873 HG SER 136 HG SER 136 11.464 24.313 4.669 Start of MODEL 16 1 1H MET 23 1H MET 23 3.461 27.885 -7.482 2 2H MET 23 2H MET 23 2.237 26.874 -7.861 3 3H MET 23 3H MET 23 1.941 28.203 -6.916 4 HA MET 23 HA MET 23 3.252 27.342 -5.154 5 1HB MET 23 1HB MET 23 0.815 26.691 -5.352 6 2HB MET 23 2HB MET 23 1.309 25.220 -6.166 7 1HG MET 23 1HG MET 23 0.767 24.965 -3.742 8 2HG MET 23 2HG MET 23 2.370 24.390 -4.169 9 1HE MET 23 1HE MET 23 1.431 24.836 -1.212 10 2HE MET 23 2HE MET 23 3.074 24.297 -1.630 11 3HE MET 23 3HE MET 23 2.839 25.652 -0.504 12 H LYS 24 H LYS 24 4.616 25.531 -4.320 13 HA LYS 24 HA LYS 24 6.234 24.192 -6.339 14 1HB LYS 24 1HB LYS 24 7.267 23.071 -4.472 15 2HB LYS 24 2HB LYS 24 7.144 24.784 -4.129 16 1HG LYS 24 1HG LYS 24 5.844 24.463 -2.284 17 2HG LYS 24 2HG LYS 24 4.799 23.310 -3.105 18 1HD LYS 24 1HD LYS 24 5.775 22.062 -1.394 19 2HD LYS 24 2HD LYS 24 6.624 21.581 -2.858 20 1HE LYS 24 1HE LYS 24 8.540 23.013 -2.284 21 2HE LYS 24 2HE LYS 24 7.688 23.589 -0.840 22 1HZ LYS 24 1HZ LYS 24 7.679 21.322 -0.022 23 2HZ LYS 24 2HZ LYS 24 8.495 20.780 -1.339 24 3HZ LYS 24 3HZ LYS 24 9.216 21.818 -0.271 25 H VAL 25 H VAL 25 6.408 21.639 -6.101 26 HA VAL 25 HA VAL 25 3.684 20.490 -6.320 27 HB VAL 25 HB VAL 25 6.365 19.094 -6.640 28 1HG1 VAL 25 1HG1 VAL 25 3.523 18.423 -7.589 29 2HG1 VAL 25 2HG1 VAL 25 4.965 17.456 -7.925 30 3HG1 VAL 25 3HG1 VAL 25 4.386 17.619 -6.262 31 1HG2 VAL 25 1HG2 VAL 25 4.642 20.410 -8.776 32 2HG2 VAL 25 2HG2 VAL 25 6.308 20.837 -8.366 33 3HG2 VAL 25 3HG2 VAL 25 5.961 19.280 -9.119 34 HA PRO 26 HA PRO 26 4.358 19.658 -1.920 35 1HB PRO 26 1HB PRO 26 2.322 17.794 -1.501 36 2HB PRO 26 2HB PRO 26 2.128 19.574 -1.462 37 1HG PRO 26 1HG PRO 26 1.524 17.661 -3.705 38 2HG PRO 26 2HG PRO 26 0.582 19.080 -3.166 39 1HD PRO 26 1HD PRO 26 2.240 19.147 -5.340 40 2HD PRO 26 2HD PRO 26 2.039 20.577 -4.279 41 HA PRO 27 HA PRO 27 6.669 15.812 -2.251 42 1HB PRO 27 1HB PRO 27 6.407 15.387 0.664 43 2HB PRO 27 2HB PRO 27 7.891 15.603 -0.295 44 1HG PRO 27 1HG PRO 27 6.913 17.554 1.396 45 2HG PRO 27 2HG PRO 27 7.788 17.934 -0.117 46 1HD PRO 27 1HD PRO 27 4.812 17.916 0.388 47 2HD PRO 27 2HD PRO 27 5.810 19.078 -0.549 48 H HIS 28 H HIS 28 6.075 13.673 -2.560 49 HA HIS 28 HA HIS 28 4.229 12.354 -0.833 50 1HB HIS 28 1HB HIS 28 2.553 11.773 -2.744 51 2HB HIS 28 2HB HIS 28 2.355 13.207 -1.773 52 HD1 HIS 28 HD1 HIS 28 2.168 15.447 -3.009 53 HD2 HIS 28 HD2 HIS 28 3.599 12.281 -5.370 54 HE1 HIS 28 HE1 HIS 28 2.188 16.286 -5.423 55 H SER 29 H SER 29 5.432 12.137 -4.277 56 HA SER 29 HA SER 29 6.029 10.344 -5.469 57 1HB SER 29 1HB SER 29 7.224 9.322 -2.864 58 2HB SER 29 2HB SER 29 7.513 8.654 -4.473 59 HG SER 29 HG SER 29 8.955 10.062 -4.763 60 H ILE 30 H ILE 30 3.466 10.371 -5.051 61 HA ILE 30 HA ILE 30 2.008 8.206 -4.004 62 HB ILE 30 HB ILE 30 1.808 9.717 -6.675 63 1HG1 ILE 30 1HG1 ILE 30 1.584 11.263 -4.859 64 2HG1 ILE 30 2HG1 ILE 30 0.050 11.096 -5.691 65 1HG2 ILE 30 1HG2 ILE 30 0.465 7.663 -6.901 66 2HG2 ILE 30 2HG2 ILE 30 -0.507 8.161 -5.503 67 3HG2 ILE 30 3HG2 ILE 30 -0.489 9.135 -6.973 68 1HD1 ILE 30 1HD1 ILE 30 0.824 9.782 -3.058 69 2HD1 ILE 30 2HD1 ILE 30 -0.251 11.168 -3.255 70 3HD1 ILE 30 3HD1 ILE 30 -0.745 9.590 -3.877 71 H GLU 31 H GLU 31 3.665 8.413 -7.211 72 HA GLU 31 HA GLU 31 2.794 5.758 -7.830 73 1HB GLU 31 1HB GLU 31 4.645 7.756 -9.091 74 2HB GLU 31 2HB GLU 31 4.495 6.108 -9.718 75 1HG GLU 31 1HG GLU 31 2.071 6.350 -10.004 76 2HG GLU 31 2HG GLU 31 1.993 7.743 -8.962 77 H ALA 32 H ALA 32 5.661 6.887 -6.263 78 HA ALA 32 HA ALA 32 7.014 4.324 -6.187 79 1HB ALA 32 1HB ALA 32 8.155 6.461 -5.539 80 2HB ALA 32 2HB ALA 32 7.160 6.495 -4.056 81 3HB ALA 32 3HB ALA 32 8.301 5.182 -4.315 82 H GLU 33 H GLU 33 4.701 5.900 -3.920 83 HA GLU 33 HA GLU 33 4.340 3.764 -2.093 84 1HB GLU 33 1HB GLU 33 2.521 6.002 -3.052 85 2HB GLU 33 2HB GLU 33 1.902 4.747 -2.052 86 1HG GLU 33 1HG GLU 33 3.716 5.385 -0.355 87 2HG GLU 33 2HG GLU 33 4.049 6.773 -1.400 88 H GLN 34 H GLN 34 2.669 4.376 -5.204 89 HA GLN 34 HA GLN 34 1.042 2.055 -5.146 90 1HB GLN 34 1HB GLN 34 2.085 3.632 -7.534 91 2HB GLN 34 2HB GLN 34 0.874 2.349 -7.632 92 1HG GLN 34 1HG GLN 34 -0.525 3.595 -5.976 93 2HG GLN 34 2HG GLN 34 0.631 4.909 -6.038 94 1HE2 GLN 34 2HE2 GLN 34 -2.027 5.411 -6.603 95 2HE2 GLN 34 1HE2 GLN 34 -2.057 5.897 -8.319 96 H SER 35 H SER 35 4.321 2.586 -6.459 97 HA SER 35 HA SER 35 4.608 0.127 -7.845 98 1HB SER 35 1HB SER 35 6.693 1.954 -6.568 99 2HB SER 35 2HB SER 35 7.054 0.626 -7.667 100 HG SER 35 HG SER 35 5.486 2.947 -8.183 101 H VAL 36 H VAL 36 5.376 1.053 -4.456 102 HA VAL 36 HA VAL 36 6.435 -1.511 -3.717 103 HB VAL 36 HB VAL 36 5.150 0.788 -2.144 104 1HG1 VAL 36 1HG1 VAL 36 6.488 -1.697 -1.037 105 2HG1 VAL 36 2HG1 VAL 36 6.149 -0.223 -0.095 106 3HG1 VAL 36 3HG1 VAL 36 4.817 -1.173 -0.755 107 1HG2 VAL 36 1HG2 VAL 36 7.317 1.301 -3.171 108 2HG2 VAL 36 2HG2 VAL 36 7.442 1.266 -1.419 109 3HG2 VAL 36 3HG2 VAL 36 8.059 -0.103 -2.376 110 H LEU 37 H LEU 37 3.148 -0.092 -3.251 111 HA LEU 37 HA LEU 37 2.164 -2.458 -2.017 112 1HB LEU 37 1HB LEU 37 0.716 -0.239 -3.514 113 2HB LEU 37 2HB LEU 37 -0.098 -1.510 -2.601 114 HG LEU 37 HG LEU 37 1.873 0.514 -1.432 115 1HD1 LEU 37 1HD1 LEU 37 -1.148 0.280 -1.279 116 2HD1 LEU 37 2HD1 LEU 37 -0.150 1.384 -0.306 117 3HD1 LEU 37 3HD1 LEU 37 -0.204 1.560 -2.073 118 1HD2 LEU 37 1HD2 LEU 37 0.386 -1.785 -0.139 119 2HD2 LEU 37 2HD2 LEU 37 2.103 -1.378 -0.045 120 3HD2 LEU 37 3HD2 LEU 37 0.923 -0.364 0.781 121 H GLY 38 H GLY 38 2.178 -1.512 -5.441 122 1HA GLY 38 1HA GLY 38 0.770 -3.772 -6.484 123 2HA GLY 38 2HA GLY 38 1.984 -2.794 -7.328 124 H GLY 39 H GLY 39 4.349 -3.215 -5.857 125 1HA GLY 39 1HA GLY 39 5.201 -5.690 -6.945 126 2HA GLY 39 2HA GLY 39 6.057 -4.688 -5.785 127 H LEU 40 H LEU 40 4.155 -4.803 -3.668 128 HA LEU 40 HA LEU 40 5.009 -7.177 -2.391 129 1HB LEU 40 1HB LEU 40 2.809 -5.168 -1.789 130 2HB LEU 40 2HB LEU 40 3.126 -6.529 -0.724 131 HG LEU 40 HG LEU 40 5.270 -4.490 -1.469 132 1HD1 LEU 40 1HD1 LEU 40 3.383 -4.599 0.915 133 2HD1 LEU 40 2HD1 LEU 40 4.824 -3.569 0.819 134 3HD1 LEU 40 3HD1 LEU 40 3.486 -3.334 -0.317 135 1HD2 LEU 40 1HD2 LEU 40 5.142 -6.565 0.753 136 2HD2 LEU 40 2HD2 LEU 40 6.190 -6.635 -0.673 137 3HD2 LEU 40 3HD2 LEU 40 6.428 -5.363 0.520 138 H MET 41 H MET 41 2.101 -6.519 -4.331 139 HA MET 41 HA MET 41 0.597 -8.801 -3.503 140 1HB MET 41 1HB MET 41 0.580 -7.435 -6.224 141 2HB MET 41 2HB MET 41 -0.622 -8.572 -5.627 142 1HG MET 41 1HG MET 41 -1.264 -7.022 -3.831 143 2HG MET 41 2HG MET 41 -0.026 -5.884 -4.372 144 1HE MET 41 1HE MET 41 -2.790 -4.681 -3.996 145 2HE MET 41 2HE MET 41 -1.468 -3.790 -4.789 146 3HE MET 41 3HE MET 41 -3.084 -3.840 -5.536 147 H LEU 42 H LEU 42 3.426 -8.497 -5.540 148 HA LEU 42 HA LEU 42 3.183 -11.277 -6.555 149 1HB LEU 42 1HB LEU 42 5.415 -9.277 -6.964 150 2HB LEU 42 2HB LEU 42 5.361 -10.927 -7.534 151 HG LEU 42 HG LEU 42 3.084 -10.112 -8.700 152 1HD1 LEU 42 1HD1 LEU 42 4.763 -7.569 -8.493 153 2HD1 LEU 42 2HD1 LEU 42 3.354 -7.779 -9.548 154 3HD1 LEU 42 3HD1 LEU 42 3.143 -7.785 -7.798 155 1HD2 LEU 42 1HD2 LEU 42 5.894 -9.453 -9.692 156 2HD2 LEU 42 2HD2 LEU 42 5.074 -11.030 -9.830 157 3HD2 LEU 42 3HD2 LEU 42 4.434 -9.631 -10.701 158 H ASP 43 H ASP 43 5.503 -9.302 -4.772 159 HA ASP 43 HA ASP 43 6.763 -11.741 -3.609 160 1HB ASP 43 1HB ASP 43 8.093 -10.392 -5.069 161 2HB ASP 43 2HB ASP 43 7.872 -8.953 -4.067 162 H ASN 44 H ASN 44 5.592 -12.110 -1.881 163 HA ASN 44 HA ASN 44 4.634 -10.037 -0.058 164 1HB ASN 44 1HB ASN 44 4.706 -13.066 0.308 165 2HB ASN 44 2HB ASN 44 3.939 -11.937 1.401 166 1HD2 ASN 44 2HD2 ASN 44 3.220 -10.627 -1.688 167 2HD2 ASN 44 1HD2 ASN 44 1.804 -11.582 -1.996 168 H GLU 45 H GLU 45 7.539 -12.115 -0.178 169 HA GLU 45 HA GLU 45 8.195 -11.678 2.605 170 1HB GLU 45 1HB GLU 45 9.820 -12.772 0.299 171 2HB GLU 45 2HB GLU 45 10.446 -12.567 1.943 172 1HG GLU 45 1HG GLU 45 8.442 -13.902 2.778 173 2HG GLU 45 2HG GLU 45 8.088 -14.281 1.087 174 H ARG 46 H ARG 46 8.779 -9.710 -0.316 175 HA ARG 46 HA ARG 46 10.700 -8.033 1.046 176 1HB ARG 46 1HB ARG 46 8.856 -7.642 -1.344 177 2HB ARG 46 2HB ARG 46 9.883 -6.330 -0.769 178 1HG ARG 46 1HG ARG 46 11.066 -9.043 -1.376 179 2HG ARG 46 2HG ARG 46 10.744 -7.888 -2.657 180 1HD ARG 46 1HD ARG 46 12.282 -6.262 -1.685 181 2HD ARG 46 2HD ARG 46 12.435 -7.231 -0.204 182 HE ARG 46 HE ARG 46 13.164 -8.904 -2.305 183 1HH1 ARG 46 1HH1 ARG 46 14.593 -6.004 -0.650 184 2HH1 ARG 46 2HH1 ARG 46 16.182 -6.545 -0.975 185 1HH2 ARG 46 1HH2 ARG 46 15.216 -9.564 -2.530 186 2HH2 ARG 46 2HH2 ARG 46 16.569 -8.689 -1.866 187 H TRP 47 H TRP 47 7.476 -8.571 1.847 188 HA TRP 47 HA TRP 47 6.501 -6.068 2.692 189 1HB TRP 47 1HB TRP 47 5.227 -8.128 3.011 190 2HB TRP 47 2HB TRP 47 6.461 -8.765 4.111 191 HD1 TRP 47 HD1 TRP 47 6.400 -7.974 6.599 192 HE1 TRP 47 HE1 TRP 47 4.894 -6.487 7.988 193 HE3 TRP 47 HE3 TRP 47 3.835 -5.788 2.789 194 HZ2 TRP 47 HZ2 TRP 47 3.037 -4.308 7.468 195 HZ3 TRP 47 HZ3 TRP 47 2.299 -3.885 3.239 196 HH2 TRP 47 HH2 TRP 47 1.850 -3.190 5.567 197 H ASP 48 H ASP 48 8.915 -8.177 4.347 198 HA ASP 48 HA ASP 48 9.156 -6.397 6.612 199 1HB ASP 48 1HB ASP 48 10.804 -8.675 5.461 200 2HB ASP 48 2HB ASP 48 11.479 -7.661 6.724 201 H ASP 49 H ASP 49 10.573 -6.442 3.506 202 HA ASP 49 HA ASP 49 12.890 -4.779 4.127 203 1HB ASP 49 1HB ASP 49 12.491 -6.676 2.242 204 2HB ASP 49 2HB ASP 49 11.918 -5.304 1.300 205 H VAL 50 H VAL 50 9.708 -4.430 2.899 206 HA VAL 50 HA VAL 50 9.893 -1.573 2.306 207 HB VAL 50 HB VAL 50 7.752 -3.731 2.523 208 1HG1 VAL 50 1HG1 VAL 50 7.319 -0.765 1.932 209 2HG1 VAL 50 2HG1 VAL 50 6.098 -2.033 1.700 210 3HG1 VAL 50 3HG1 VAL 50 6.680 -1.680 3.322 211 1HG2 VAL 50 1HG2 VAL 50 9.176 -3.705 0.485 212 2HG2 VAL 50 2HG2 VAL 50 7.488 -3.367 0.123 213 3HG2 VAL 50 3HG2 VAL 50 8.672 -2.043 0.155 214 H ALA 51 H ALA 51 8.465 -3.652 4.914 215 HA ALA 51 HA ALA 51 7.611 -1.519 6.472 216 1HB ALA 51 1HB ALA 51 6.797 -3.813 6.723 217 2HB ALA 51 2HB ALA 51 8.380 -4.309 7.375 218 3HB ALA 51 3HB ALA 51 7.372 -3.154 8.274 219 H GLU 52 H GLU 52 10.877 -2.713 6.167 220 HA GLU 52 HA GLU 52 11.724 -1.589 8.658 221 1HB GLU 52 1HB GLU 52 14.007 -2.077 8.023 222 2HB GLU 52 2HB GLU 52 12.951 -3.473 7.887 223 1HG GLU 52 1HG GLU 52 12.735 -3.103 5.496 224 2HG GLU 52 2HG GLU 52 13.777 -1.689 5.587 225 H ARG 53 H ARG 53 11.045 -0.353 5.587 226 HA ARG 53 HA ARG 53 12.569 2.175 5.993 227 1HB ARG 53 1HB ARG 53 10.855 1.295 3.638 228 2HB ARG 53 2HB ARG 53 11.821 2.747 3.712 229 1HG ARG 53 1HG ARG 53 13.055 -0.042 3.797 230 2HG ARG 53 2HG ARG 53 12.621 0.775 2.307 231 1HD ARG 53 1HD ARG 53 14.869 1.239 2.491 232 2HD ARG 53 2HD ARG 53 14.092 2.727 3.047 233 HE ARG 53 HE ARG 53 14.796 0.783 5.138 234 1HH1 ARG 53 1HH1 ARG 53 16.200 3.433 3.166 235 2HH1 ARG 53 2HH1 ARG 53 17.375 3.818 4.338 236 1HH2 ARG 53 1HH2 ARG 53 16.444 1.203 6.515 237 2HH2 ARG 53 2HH2 ARG 53 17.523 2.558 6.311 238 H VAL 54 H VAL 54 9.258 0.906 5.382 239 HA VAL 54 HA VAL 54 8.152 3.500 6.386 240 HB VAL 54 HB VAL 54 6.424 3.095 4.593 241 1HG1 VAL 54 1HG1 VAL 54 8.253 4.742 4.337 242 2HG1 VAL 54 2HG1 VAL 54 9.236 3.473 3.554 243 3HG1 VAL 54 3HG1 VAL 54 7.739 4.022 2.800 244 1HG2 VAL 54 1HG2 VAL 54 6.872 0.700 4.104 245 2HG2 VAL 54 2HG2 VAL 54 6.945 1.732 2.652 246 3HG2 VAL 54 3HG2 VAL 54 8.427 1.174 3.383 247 H VAL 55 H VAL 55 5.707 3.356 6.690 248 HA VAL 55 HA VAL 55 4.565 0.814 7.403 249 HB VAL 55 HB VAL 55 3.629 2.042 9.548 250 1HG1 VAL 55 1HG1 VAL 55 4.821 -0.110 9.490 251 2HG1 VAL 55 2HG1 VAL 55 6.367 0.747 9.556 252 3HG1 VAL 55 3HG1 VAL 55 5.220 0.855 10.912 253 1HG2 VAL 55 1HG2 VAL 55 4.875 4.188 9.173 254 2HG2 VAL 55 2HG2 VAL 55 5.192 3.427 10.730 255 3HG2 VAL 55 3HG2 VAL 55 6.401 3.312 9.454 256 H ALA 56 H ALA 56 2.094 1.275 7.858 257 HA ALA 56 HA ALA 56 1.025 2.798 5.729 258 1HB ALA 56 1HB ALA 56 -0.248 0.986 6.904 259 2HB ALA 56 2HB ALA 56 -0.322 1.995 8.360 260 3HB ALA 56 3HB ALA 56 -1.150 2.505 6.876 261 H ASP 57 H ASP 57 2.018 3.823 8.930 262 HA ASP 57 HA ASP 57 0.513 6.309 8.926 263 1HB ASP 57 1HB ASP 57 1.998 4.786 10.817 264 2HB ASP 57 2HB ASP 57 2.903 6.283 10.635 265 H ASP 58 H ASP 58 3.518 5.257 7.490 266 HA ASP 58 HA ASP 58 4.567 8.014 7.157 267 1HB ASP 58 1HB ASP 58 5.648 5.235 6.711 268 2HB ASP 58 2HB ASP 58 6.221 6.518 5.672 269 H PHE 59 H PHE 59 2.882 5.437 5.417 270 HA PHE 59 HA PHE 59 2.922 6.668 2.792 271 1HB PHE 59 1HB PHE 59 1.137 4.653 4.192 272 2HB PHE 59 2HB PHE 59 0.589 5.413 2.713 273 HD1 PHE 59 HD1 PHE 59 3.586 3.540 4.018 274 HD2 PHE 59 HD2 PHE 59 1.053 4.444 0.680 275 HE1 PHE 59 HE1 PHE 59 4.817 1.912 2.647 276 HE2 PHE 59 HE2 PHE 59 2.250 2.755 -0.698 277 HZ PHE 59 HZ PHE 59 4.183 1.518 0.272 278 H TYR 60 H TYR 60 1.577 8.200 1.957 279 HA TYR 60 HA TYR 60 0.016 9.824 3.912 280 1HB TYR 60 1HB TYR 60 1.820 10.934 2.773 281 2HB TYR 60 2HB TYR 60 1.276 10.320 1.223 282 HD1 TYR 60 HD1 TYR 60 -1.086 11.923 3.674 283 HD2 TYR 60 HD2 TYR 60 1.289 12.360 0.101 284 HE1 TYR 60 HE1 TYR 60 -2.194 14.077 3.211 285 HE2 TYR 60 HE2 TYR 60 0.214 14.552 -0.355 286 HH TYR 60 HH TYR 60 -1.203 16.186 0.470 287 H THR 61 H THR 61 -0.303 8.260 0.671 288 HA THR 61 HA THR 61 -2.800 9.434 0.105 289 HB THR 61 HB THR 61 -2.079 6.991 -1.157 290 HG1 THR 61 HG1 THR 61 -0.047 7.773 -1.160 291 1HG2 THR 61 1HG2 THR 61 -3.963 8.356 -1.998 292 2HG2 THR 61 2HG2 THR 61 -2.823 9.693 -2.278 293 3HG2 THR 61 3HG2 THR 61 -2.674 8.180 -3.199 294 H ARG 62 H ARG 62 -4.784 8.990 0.922 295 HA ARG 62 HA ARG 62 -5.356 7.231 2.859 296 1HB ARG 62 1HB ARG 62 -7.148 8.460 0.757 297 2HB ARG 62 2HB ARG 62 -7.806 7.279 1.894 298 1HG ARG 62 1HG ARG 62 -6.732 8.679 3.768 299 2HG ARG 62 2HG ARG 62 -6.513 9.949 2.549 300 1HD ARG 62 1HD ARG 62 -8.849 10.189 2.240 301 2HD ARG 62 2HD ARG 62 -9.212 8.608 2.925 302 HE ARG 62 HE ARG 62 -8.734 11.102 4.359 303 1HH1 ARG 62 1HH1 ARG 62 -8.774 7.541 4.768 304 2HH1 ARG 62 2HH1 ARG 62 -9.609 7.600 6.274 305 1HH2 ARG 62 1HH2 ARG 62 -9.553 11.149 6.475 306 2HH2 ARG 62 2HH2 ARG 62 -10.192 9.701 7.213 307 HA PRO 63 HA PRO 63 -7.006 3.572 0.389 308 1HB PRO 63 1HB PRO 63 -6.419 3.208 -2.270 309 2HB PRO 63 2HB PRO 63 -7.863 4.092 -1.689 310 1HG PRO 63 1HG PRO 63 -5.222 5.271 -2.588 311 2HG PRO 63 2HG PRO 63 -6.887 5.754 -3.052 312 1HD PRO 63 1HD PRO 63 -5.530 7.072 -1.114 313 2HD PRO 63 2HD PRO 63 -7.281 6.765 -0.957 314 H HIS 64 H HIS 64 -3.793 4.908 -0.567 315 HA HIS 64 HA HIS 64 -2.515 2.341 -0.728 316 1HB HIS 64 1HB HIS 64 -1.272 5.031 -0.077 317 2HB HIS 64 2HB HIS 64 -0.456 3.588 -0.616 318 HD1 HIS 64 HD1 HIS 64 0.200 5.952 -2.171 319 HD2 HIS 64 HD2 HIS 64 -3.153 3.580 -3.069 320 HE1 HIS 64 HE1 HIS 64 -0.265 6.290 -4.679 321 H ARG 65 H ARG 65 -3.055 4.714 1.941 322 HA ARG 65 HA ARG 65 -1.577 3.292 3.936 323 1HB ARG 65 1HB ARG 65 -4.050 5.050 4.303 324 2HB ARG 65 2HB ARG 65 -3.005 4.433 5.580 325 1HG ARG 65 1HG ARG 65 -1.081 5.675 4.392 326 2HG ARG 65 2HG ARG 65 -2.336 6.517 3.481 327 1HD ARG 65 1HD ARG 65 -1.825 6.547 6.470 328 2HD ARG 65 2HD ARG 65 -1.751 7.891 5.357 329 HE ARG 65 HE ARG 65 -4.088 8.047 5.273 330 1HH1 ARG 65 1HH1 ARG 65 -3.038 5.527 7.604 331 2HH1 ARG 65 2HH1 ARG 65 -4.505 5.635 8.517 332 1HH2 ARG 65 1HH2 ARG 65 -6.046 8.093 6.568 333 2HH2 ARG 65 2HH2 ARG 65 -6.158 7.009 7.925 334 H HIS 66 H HIS 66 -5.099 3.200 3.130 335 HA HIS 66 HA HIS 66 -5.910 1.185 4.871 336 1HB HIS 66 1HB HIS 66 -6.654 1.828 1.998 337 2HB HIS 66 2HB HIS 66 -7.467 0.560 2.911 338 HD1 HIS 66 HD1 HIS 66 -8.372 3.828 1.908 339 HD2 HIS 66 HD2 HIS 66 -8.408 1.488 5.355 340 HE1 HIS 66 HE1 HIS 66 -10.114 4.871 3.395 341 H ILE 67 H ILE 67 -4.557 0.742 1.551 342 HA ILE 67 HA ILE 67 -4.652 -2.085 1.565 343 HB ILE 67 HB ILE 67 -2.898 -0.105 0.088 344 1HG1 ILE 67 1HG1 ILE 67 -5.163 -1.794 -1.053 345 2HG1 ILE 67 2HG1 ILE 67 -5.494 -0.255 -0.289 346 1HG2 ILE 67 1HG2 ILE 67 -3.168 -3.104 -0.398 347 2HG2 ILE 67 2HG2 ILE 67 -2.353 -1.976 -1.500 348 3HG2 ILE 67 3HG2 ILE 67 -1.715 -2.268 0.117 349 1HD1 ILE 67 1HD1 ILE 67 -3.814 0.831 -1.874 350 2HD1 ILE 67 2HD1 ILE 67 -3.791 -0.710 -2.757 351 3HD1 ILE 67 3HD1 ILE 67 -5.296 0.221 -2.609 352 H PHE 68 H PHE 68 -1.894 0.137 2.432 353 HA PHE 68 HA PHE 68 -0.113 -1.907 3.166 354 1HB PHE 68 1HB PHE 68 0.292 0.618 2.901 355 2HB PHE 68 2HB PHE 68 -0.287 0.797 4.542 356 HD1 PHE 68 HD1 PHE 68 1.007 -0.693 6.407 357 HD2 PHE 68 HD2 PHE 68 2.523 0.101 2.441 358 HE1 PHE 68 HE1 PHE 68 3.278 -1.217 7.168 359 HE2 PHE 68 HE2 PHE 68 4.792 -0.426 3.218 360 HZ PHE 68 HZ PHE 68 5.198 -1.087 5.593 361 H THR 69 H THR 69 -2.648 -0.286 5.129 362 HA THR 69 HA THR 69 -1.992 -1.556 7.608 363 HB THR 69 HB THR 69 -4.675 -0.487 6.617 364 HG1 THR 69 HG1 THR 69 -3.121 1.079 6.412 365 1HG2 THR 69 1HG2 THR 69 -4.820 -1.752 8.770 366 2HG2 THR 69 2HG2 THR 69 -3.589 -0.660 9.454 367 3HG2 THR 69 3HG2 THR 69 -5.174 -0.033 8.942 368 H GLU 70 H GLU 70 -4.041 -2.568 4.817 369 HA GLU 70 HA GLU 70 -5.063 -4.854 6.238 370 1HB GLU 70 1HB GLU 70 -6.078 -3.658 4.143 371 2HB GLU 70 2HB GLU 70 -4.926 -4.616 3.230 372 1HG GLU 70 1HG GLU 70 -6.941 -5.949 3.338 373 2HG GLU 70 2HG GLU 70 -5.822 -6.697 4.435 374 H MET 71 H MET 71 -2.385 -4.309 3.911 375 HA MET 71 HA MET 71 -1.591 -7.038 3.641 376 1HB MET 71 1HB MET 71 -0.005 -4.441 3.445 377 2HB MET 71 2HB MET 71 0.651 -6.041 3.064 378 1HG MET 71 1HG MET 71 -1.203 -6.323 1.385 379 2HG MET 71 2HG MET 71 -1.636 -4.641 1.638 380 1HE MET 71 1HE MET 71 -0.804 -6.334 -0.977 381 2HE MET 71 2HE MET 71 -1.238 -4.631 -1.264 382 3HE MET 71 3HE MET 71 0.285 -5.290 -1.901 383 H ALA 72 H ALA 72 -0.573 -4.470 5.929 384 HA ALA 72 HA ALA 72 1.157 -6.004 7.539 385 1HB ALA 72 1HB ALA 72 -0.722 -3.727 8.302 386 2HB ALA 72 2HB ALA 72 0.637 -4.326 9.273 387 3HB ALA 72 3HB ALA 72 0.923 -3.536 7.714 388 H ARG 73 H ARG 73 -2.380 -5.449 7.893 389 HA ARG 73 HA ARG 73 -2.788 -7.105 10.143 390 1HB ARG 73 1HB ARG 73 -4.547 -5.661 9.598 391 2HB ARG 73 2HB ARG 73 -4.535 -6.103 7.891 392 1HG ARG 73 1HG ARG 73 -5.547 -8.240 8.311 393 2HG ARG 73 2HG ARG 73 -5.439 -8.002 10.059 394 1HD ARG 73 1HD ARG 73 -7.019 -6.182 8.200 395 2HD ARG 73 2HD ARG 73 -7.708 -7.636 8.932 396 HE ARG 73 HE ARG 73 -7.269 -5.077 10.159 397 1HH1 ARG 73 1HH1 ARG 73 -7.280 -8.576 10.967 398 2HH1 ARG 73 2HH1 ARG 73 -7.806 -8.300 12.593 399 1HH2 ARG 73 1HH2 ARG 73 -8.020 -4.788 12.349 400 2HH2 ARG 73 2HH2 ARG 73 -7.904 -6.146 13.416 401 H LEU 74 H LEU 74 -2.918 -8.025 6.647 402 HA LEU 74 HA LEU 74 -3.656 -10.707 7.073 403 1HB LEU 74 1HB LEU 74 -2.361 -9.071 4.889 404 2HB LEU 74 2HB LEU 74 -2.359 -10.815 4.724 405 HG LEU 74 HG LEU 74 -4.896 -9.260 5.313 406 1HD1 LEU 74 1HD1 LEU 74 -3.752 -10.006 2.588 407 2HD1 LEU 74 2HD1 LEU 74 -5.395 -9.417 2.889 408 3HD1 LEU 74 3HD1 LEU 74 -4.008 -8.367 3.230 409 1HD2 LEU 74 1HD2 LEU 74 -4.337 -12.028 4.139 410 2HD2 LEU 74 2HD2 LEU 74 -5.019 -11.698 5.741 411 3HD2 LEU 74 3HD2 LEU 74 -5.953 -11.310 4.288 412 H GLN 75 H GLN 75 -0.426 -9.188 6.673 413 HA GLN 75 HA GLN 75 1.018 -11.615 6.893 414 1HB GLN 75 1HB GLN 75 1.743 -9.247 6.123 415 2HB GLN 75 2HB GLN 75 1.959 -8.857 7.808 416 1HG GLN 75 1HG GLN 75 4.081 -9.528 6.728 417 2HG GLN 75 2HG GLN 75 3.645 -10.592 8.068 418 1HE2 GLN 75 2HE2 GLN 75 2.562 -10.605 4.590 419 2HE2 GLN 75 1HE2 GLN 75 2.981 -12.299 4.372 420 H GLU 76 H GLU 76 0.000 -9.243 9.311 421 HA GLU 76 HA GLU 76 0.971 -10.504 11.672 422 1HB GLU 76 1HB GLU 76 0.234 -8.210 11.622 423 2HB GLU 76 2HB GLU 76 -1.392 -8.679 11.141 424 1HG GLU 76 1HG GLU 76 -1.728 -9.792 13.336 425 2HG GLU 76 2HG GLU 76 -0.099 -9.287 13.806 426 H SER 77 H SER 77 -1.930 -11.129 9.728 427 HA SER 77 HA SER 77 -2.941 -13.264 11.418 428 1HB SER 77 1HB SER 77 -3.721 -12.214 8.798 429 2HB SER 77 2HB SER 77 -4.555 -13.536 9.596 430 HG SER 77 HG SER 77 -4.942 -12.122 11.354 431 H GLY 78 H GLY 78 -0.203 -13.217 9.463 432 1HA GLY 78 1HA GLY 78 1.121 -14.986 8.818 433 2HA GLY 78 2HA GLY 78 -0.034 -16.088 9.582 434 H SER 79 H SER 79 -0.782 -13.684 7.096 435 HA SER 79 HA SER 79 -1.538 -15.862 5.199 436 1HB SER 79 1HB SER 79 -3.115 -13.361 5.941 437 2HB SER 79 2HB SER 79 -3.612 -14.586 4.767 438 HG SER 79 HG SER 79 -3.146 -15.044 7.554 439 HA PRO 80 HA PRO 80 0.603 -13.587 2.140 440 1HB PRO 80 1HB PRO 80 -1.084 -13.885 -0.111 441 2HB PRO 80 2HB PRO 80 0.161 -15.018 0.440 442 1HG PRO 80 1HG PRO 80 -2.803 -15.089 0.881 443 2HG PRO 80 2HG PRO 80 -1.685 -16.457 0.644 444 1HD PRO 80 1HD PRO 80 -2.680 -15.742 3.091 445 2HD PRO 80 2HD PRO 80 -1.050 -16.449 2.896 446 H ILE 81 H ILE 81 0.543 -11.813 0.675 447 HA ILE 81 HA ILE 81 -1.659 -9.862 1.151 448 HB ILE 81 HB ILE 81 -0.021 -8.084 1.189 449 1HG1 ILE 81 1HG1 ILE 81 2.133 -10.224 1.207 450 2HG1 ILE 81 2HG1 ILE 81 1.786 -9.121 -0.139 451 1HG2 ILE 81 1HG2 ILE 81 -0.820 -9.258 3.259 452 2HG2 ILE 81 2HG2 ILE 81 0.647 -10.242 3.248 453 3HG2 ILE 81 3HG2 ILE 81 0.752 -8.486 3.465 454 1HD1 ILE 81 1HD1 ILE 81 2.315 -7.195 1.388 455 2HD1 ILE 81 2HD1 ILE 81 2.847 -8.376 2.610 456 3HD1 ILE 81 3HD1 ILE 81 3.681 -8.282 1.056 457 H ASP 82 H ASP 82 -1.309 -11.863 -0.946 458 HA ASP 82 HA ASP 82 -0.854 -10.500 -3.465 459 1HB ASP 82 1HB ASP 82 -1.049 -12.612 -4.171 460 2HB ASP 82 2HB ASP 82 -1.563 -13.141 -2.571 461 H LEU 83 H LEU 83 -2.658 -10.062 -5.002 462 HA LEU 83 HA LEU 83 -4.353 -8.011 -4.080 463 1HB LEU 83 1HB LEU 83 -3.640 -8.106 -6.373 464 2HB LEU 83 2HB LEU 83 -4.474 -9.638 -6.611 465 HG LEU 83 HG LEU 83 -6.646 -8.683 -6.414 466 1HD1 LEU 83 1HD1 LEU 83 -5.262 -6.037 -5.917 467 2HD1 LEU 83 2HD1 LEU 83 -7.030 -6.333 -6.132 468 3HD1 LEU 83 3HD1 LEU 83 -6.208 -6.924 -4.698 469 1HD2 LEU 83 1HD2 LEU 83 -4.827 -6.919 -8.090 470 2HD2 LEU 83 2HD2 LEU 83 -5.566 -8.462 -8.592 471 3HD2 LEU 83 3HD2 LEU 83 -6.590 -7.042 -8.267 472 H ILE 84 H ILE 84 -5.314 -11.555 -4.887 473 HA ILE 84 HA ILE 84 -8.020 -10.878 -4.487 474 HB ILE 84 HB ILE 84 -6.716 -13.597 -4.145 475 1HG1 ILE 84 1HG1 ILE 84 -5.671 -12.660 -6.152 476 2HG1 ILE 84 2HG1 ILE 84 -6.672 -13.983 -6.478 477 1HG2 ILE 84 1HG2 ILE 84 -9.420 -12.717 -5.269 478 2HG2 ILE 84 2HG2 ILE 84 -8.836 -14.391 -5.189 479 3HG2 ILE 84 3HG2 ILE 84 -9.130 -13.485 -3.700 480 1HD1 ILE 84 1HD1 ILE 84 -8.456 -12.411 -7.348 481 2HD1 ILE 84 2HD1 ILE 84 -7.351 -11.062 -6.964 482 3HD1 ILE 84 3HD1 ILE 84 -6.906 -12.249 -8.190 483 H THR 85 H THR 85 -5.543 -12.346 -2.394 484 HA THR 85 HA THR 85 -7.132 -12.788 -0.157 485 HB THR 85 HB THR 85 -4.193 -12.003 -0.045 486 HG1 THR 85 HG1 THR 85 -4.409 -13.586 -1.643 487 1HG2 THR 85 1HG2 THR 85 -5.428 -12.359 2.112 488 2HG2 THR 85 2HG2 THR 85 -5.866 -13.994 1.575 489 3HG2 THR 85 3HG2 THR 85 -4.165 -13.564 1.856 490 H LEU 86 H LEU 86 -5.229 -9.985 -1.030 491 HA LEU 86 HA LEU 86 -5.713 -8.241 1.134 492 1HB LEU 86 1HB LEU 86 -4.022 -7.852 -0.633 493 2HB LEU 86 2HB LEU 86 -5.254 -7.759 -1.844 494 HG LEU 86 HG LEU 86 -6.160 -5.668 -0.742 495 1HD1 LEU 86 1HD1 LEU 86 -5.115 -6.025 1.480 496 2HD1 LEU 86 2HD1 LEU 86 -3.509 -5.836 0.757 497 3HD1 LEU 86 3HD1 LEU 86 -4.647 -4.468 0.785 498 1HD2 LEU 86 1HD2 LEU 86 -4.770 -5.682 -2.776 499 2HD2 LEU 86 2HD2 LEU 86 -4.502 -4.249 -1.784 500 3HD2 LEU 86 3HD2 LEU 86 -3.311 -5.582 -1.773 501 H ALA 87 H ALA 87 -7.364 -8.304 -1.990 502 HA ALA 87 HA ALA 87 -9.183 -6.233 -1.411 503 1HB ALA 87 1HB ALA 87 -8.804 -7.144 -3.682 504 2HB ALA 87 2HB ALA 87 -9.612 -8.654 -3.213 505 3HB ALA 87 3HB ALA 87 -10.531 -7.132 -3.253 506 H GLU 88 H GLU 88 -9.659 -9.775 -1.047 507 HA GLU 88 HA GLU 88 -12.268 -9.574 0.123 508 1HB GLU 88 1HB GLU 88 -10.135 -11.672 -0.125 509 2HB GLU 88 2HB GLU 88 -11.523 -11.987 0.907 510 1HG GLU 88 1HG GLU 88 -12.137 -10.912 -1.844 511 2HG GLU 88 2HG GLU 88 -11.478 -12.536 -1.753 512 H SER 89 H SER 89 -9.021 -9.301 1.585 513 HA SER 89 HA SER 89 -10.005 -9.702 4.254 514 1HB SER 89 1HB SER 89 -7.643 -9.974 3.400 515 2HB SER 89 2HB SER 89 -7.500 -8.213 3.417 516 HG SER 89 HG SER 89 -7.690 -8.231 5.587 517 H LEU 90 H LEU 90 -9.357 -6.864 2.194 518 HA LEU 90 HA LEU 90 -10.383 -4.874 3.973 519 1HB LEU 90 1HB LEU 90 -9.835 -5.025 1.008 520 2HB LEU 90 2HB LEU 90 -10.751 -3.659 1.630 521 HG LEU 90 HG LEU 90 -8.321 -4.376 3.173 522 1HD1 LEU 90 1HD1 LEU 90 -7.460 -4.688 0.923 523 2HD1 LEU 90 2HD1 LEU 90 -7.978 -3.050 0.494 524 3HD1 LEU 90 3HD1 LEU 90 -6.728 -3.290 1.721 525 1HD2 LEU 90 1HD2 LEU 90 -9.538 -1.751 2.315 526 2HD2 LEU 90 2HD2 LEU 90 -9.504 -2.496 3.936 527 3HD2 LEU 90 3HD2 LEU 90 -8.012 -1.898 3.223 528 H GLU 91 H GLU 91 -12.083 -6.902 1.511 529 HA GLU 91 HA GLU 91 -14.636 -5.643 1.904 530 1HB GLU 91 1HB GLU 91 -13.886 -8.536 1.198 531 2HB GLU 91 2HB GLU 91 -15.544 -7.995 1.389 532 1HG GLU 91 1HG GLU 91 -15.075 -6.221 -0.365 533 2HG GLU 91 2HG GLU 91 -13.565 -7.102 -0.698 534 H ARG 92 H ARG 92 -13.112 -8.387 3.655 535 HA ARG 92 HA ARG 92 -15.327 -8.597 5.437 536 1HB ARG 92 1HB ARG 92 -12.470 -9.578 5.627 537 2HB ARG 92 2HB ARG 92 -13.721 -9.929 6.845 538 1HG ARG 92 1HG ARG 92 -15.201 -10.888 5.150 539 2HG ARG 92 2HG ARG 92 -14.088 -10.512 3.851 540 1HD ARG 92 1HD ARG 92 -13.530 -12.429 6.117 541 2HD ARG 92 2HD ARG 92 -14.055 -12.875 4.500 542 HE ARG 92 HE ARG 92 -11.986 -11.719 3.652 543 1HH1 ARG 92 1HH1 ARG 92 -11.999 -13.171 6.936 544 2HH1 ARG 92 2HH1 ARG 92 -10.326 -13.623 6.838 545 1HH2 ARG 92 1HH2 ARG 92 -9.692 -12.440 3.634 546 2HH2 ARG 92 2HH2 ARG 92 -9.000 -12.743 5.198 547 H GLN 93 H GLN 93 -12.653 -6.291 5.380 548 HA GLN 93 HA GLN 93 -13.467 -5.193 7.996 549 1HB GLN 93 1HB GLN 93 -11.612 -4.073 5.858 550 2HB GLN 93 2HB GLN 93 -11.987 -3.296 7.390 551 1HG GLN 93 1HG GLN 93 -11.227 -5.910 8.124 552 2HG GLN 93 2HG GLN 93 -10.114 -5.456 6.830 553 1HE2 GLN 93 2HE2 GLN 93 -8.456 -4.024 7.329 554 2HE2 GLN 93 1HE2 GLN 93 -8.379 -3.022 8.778 555 H GLY 94 H GLY 94 -14.741 -4.974 4.708 556 1HA GLY 94 1HA GLY 94 -16.643 -3.839 4.068 557 2HA GLY 94 2HA GLY 94 -16.672 -2.968 5.606 558 H GLN 95 H GLN 95 -13.706 -3.092 3.754 559 HA GLN 95 HA GLN 95 -13.897 -0.174 3.181 560 1HB GLN 95 1HB GLN 95 -11.581 -1.823 4.233 561 2HB GLN 95 2HB GLN 95 -11.491 -0.111 3.813 562 1HG GLN 95 1HG GLN 95 -13.068 -1.373 6.073 563 2HG GLN 95 2HG GLN 95 -11.674 -0.313 6.194 564 1HE2 GLN 95 2HE2 GLN 95 -14.920 -0.259 6.738 565 2HE2 GLN 95 1HE2 GLN 95 -15.276 1.402 6.271 566 H LEU 96 H LEU 96 -14.112 -2.834 1.411 567 HA LEU 96 HA LEU 96 -11.886 -2.726 -0.410 568 1HB LEU 96 1HB LEU 96 -13.329 -4.638 -0.328 569 2HB LEU 96 2HB LEU 96 -14.702 -3.662 -0.891 570 HG LEU 96 HG LEU 96 -13.469 -3.173 -3.011 571 1HD1 LEU 96 1HD1 LEU 96 -11.348 -5.003 -1.807 572 2HD1 LEU 96 2HD1 LEU 96 -11.453 -4.656 -3.539 573 3HD1 LEU 96 3HD1 LEU 96 -11.130 -3.341 -2.403 574 1HD2 LEU 96 1HD2 LEU 96 -14.957 -5.231 -2.609 575 2HD2 LEU 96 2HD2 LEU 96 -13.935 -5.174 -4.043 576 3HD2 LEU 96 3HD2 LEU 96 -13.434 -6.152 -2.659 577 H ASP 97 H ASP 97 -15.084 -1.096 -0.311 578 HA ASP 97 HA ASP 97 -14.715 0.409 -2.742 579 1HB ASP 97 1HB ASP 97 -16.908 0.057 -1.771 580 2HB ASP 97 2HB ASP 97 -16.436 0.940 -0.315 581 H SER 98 H SER 98 -13.920 1.098 0.697 582 HA SER 98 HA SER 98 -12.883 3.712 0.315 583 1HB SER 98 1HB SER 98 -11.954 1.696 2.386 584 2HB SER 98 2HB SER 98 -11.910 3.455 2.488 585 HG SER 98 HG SER 98 -13.605 2.469 3.661 586 H VAL 99 H VAL 99 -11.568 0.796 -0.939 587 HA VAL 99 HA VAL 99 -9.015 2.227 -1.438 588 HB VAL 99 HB VAL 99 -7.855 0.160 -1.507 589 1HG1 VAL 99 1HG1 VAL 99 -8.210 1.389 0.634 590 2HG1 VAL 99 2HG1 VAL 99 -9.472 0.250 1.079 591 3HG1 VAL 99 3HG1 VAL 99 -7.815 -0.337 0.842 592 1HG2 VAL 99 1HG2 VAL 99 -9.848 -1.277 -2.261 593 2HG2 VAL 99 2HG2 VAL 99 -8.774 -1.982 -1.075 594 3HG2 VAL 99 3HG2 VAL 99 -10.320 -1.309 -0.545 595 H GLY 100 H GLY 100 -11.765 1.962 -2.938 596 1HA GLY 100 1HA GLY 100 -11.948 2.656 -5.146 597 2HA GLY 100 2HA GLY 100 -10.370 2.010 -5.525 598 H GLY 101 H GLY 101 -12.864 0.139 -3.851 599 1HA GLY 101 1HA GLY 101 -14.366 -1.438 -4.483 600 2HA GLY 101 2HA GLY 101 -14.361 -0.646 -6.060 601 H PHE 102 H PHE 102 -11.407 -2.134 -5.009 602 HA PHE 102 HA PHE 102 -10.293 -4.054 -5.599 603 1HB PHE 102 1HB PHE 102 -12.570 -5.257 -5.712 604 2HB PHE 102 2HB PHE 102 -12.506 -4.991 -7.439 605 HD1 PHE 102 HD1 PHE 102 -10.061 -5.758 -8.542 606 HD2 PHE 102 HD2 PHE 102 -12.011 -7.383 -5.041 607 HE1 PHE 102 HE1 PHE 102 -8.736 -7.828 -8.751 608 HE2 PHE 102 HE2 PHE 102 -10.697 -9.458 -5.288 609 HZ PHE 102 HZ PHE 102 -9.006 -9.655 -7.089 610 H ALA 103 H ALA 103 -12.223 -2.482 -8.230 611 HA ALA 103 HA ALA 103 -10.495 -3.097 -10.302 612 1HB ALA 103 1HB ALA 103 -12.193 -0.591 -9.929 613 2HB ALA 103 2HB ALA 103 -11.475 -1.132 -11.462 614 3HB ALA 103 3HB ALA 103 -12.713 -2.123 -10.675 615 H TYR 104 H TYR 104 -10.262 -0.328 -8.037 616 HA TYR 104 HA TYR 104 -7.979 0.879 -9.315 617 1HB TYR 104 1HB TYR 104 -9.470 1.920 -7.593 618 2HB TYR 104 2HB TYR 104 -8.751 0.856 -6.388 619 HD1 TYR 104 HD1 TYR 104 -7.661 3.326 -9.031 620 HD2 TYR 104 HD2 TYR 104 -7.037 1.779 -5.053 621 HE1 TYR 104 HE1 TYR 104 -6.117 5.181 -8.562 622 HE2 TYR 104 HE2 TYR 104 -5.451 3.626 -4.586 623 HH TYR 104 HH TYR 104 -4.690 6.166 -6.995 624 H LEU 105 H LEU 105 -8.273 -1.689 -6.826 625 HA LEU 105 HA LEU 105 -5.475 -1.872 -6.195 626 1HB LEU 105 1HB LEU 105 -7.432 -4.194 -6.161 627 2HB LEU 105 2HB LEU 105 -5.936 -4.011 -5.259 628 HG LEU 105 HG LEU 105 -8.462 -2.397 -4.752 629 1HD1 LEU 105 1HD1 LEU 105 -8.630 -4.784 -4.096 630 2HD1 LEU 105 2HD1 LEU 105 -7.134 -4.640 -3.157 631 3HD1 LEU 105 3HD1 LEU 105 -8.580 -3.729 -2.678 632 1HD2 LEU 105 1HD2 LEU 105 -5.724 -2.448 -3.400 633 2HD2 LEU 105 2HD2 LEU 105 -6.506 -1.067 -4.215 634 3HD2 LEU 105 3HD2 LEU 105 -7.166 -1.688 -2.705 635 H ALA 106 H ALA 106 -7.561 -3.431 -8.633 636 HA ALA 106 HA ALA 106 -5.557 -5.177 -9.662 637 1HB ALA 106 1HB ALA 106 -8.022 -3.989 -10.989 638 2HB ALA 106 2HB ALA 106 -7.055 -5.337 -11.609 639 3HB ALA 106 3HB ALA 106 -7.940 -5.521 -10.084 640 H GLU 107 H GLU 107 -6.411 -1.821 -10.460 641 HA GLU 107 HA GLU 107 -4.561 -1.546 -12.651 642 1HB GLU 107 1HB GLU 107 -6.374 -0.008 -12.389 643 2HB GLU 107 2HB GLU 107 -5.816 0.527 -10.805 644 1HG GLU 107 1HG GLU 107 -3.960 1.693 -11.681 645 2HG GLU 107 2HG GLU 107 -3.998 0.799 -13.205 646 H LEU 108 H LEU 108 -4.260 -0.880 -9.132 647 HA LEU 108 HA LEU 108 -1.544 -0.048 -9.167 648 1HB LEU 108 1HB LEU 108 -3.036 -1.618 -7.019 649 2HB LEU 108 2HB LEU 108 -1.451 -0.899 -6.801 650 HG LEU 108 HG LEU 108 -3.982 0.695 -7.425 651 1HD1 LEU 108 1HD1 LEU 108 -4.068 -0.365 -5.197 652 2HD1 LEU 108 2HD1 LEU 108 -2.478 0.326 -4.801 653 3HD1 LEU 108 3HD1 LEU 108 -3.880 1.388 -5.077 654 1HD2 LEU 108 1HD2 LEU 108 -1.180 1.541 -6.645 655 2HD2 LEU 108 2HD2 LEU 108 -1.996 1.873 -8.192 656 3HD2 LEU 108 3HD2 LEU 108 -2.599 2.627 -6.717 657 H SER 109 H SER 109 -2.919 -3.323 -8.903 658 HA SER 109 HA SER 109 -0.471 -4.743 -8.811 659 1HB SER 109 1HB SER 109 -3.083 -5.450 -8.604 660 2HB SER 109 2HB SER 109 -2.801 -5.961 -10.274 661 HG SER 109 HG SER 109 -1.572 -6.771 -7.873 662 H LYS 110 H LYS 110 -2.439 -3.618 -11.617 663 HA LYS 110 HA LYS 110 -0.789 -4.886 -13.555 664 1HB LYS 110 1HB LYS 110 -3.200 -3.349 -13.594 665 2HB LYS 110 2HB LYS 110 -2.067 -2.432 -14.553 666 1HG LYS 110 1HG LYS 110 -3.125 -3.888 -16.084 667 2HG LYS 110 2HG LYS 110 -1.527 -4.571 -15.828 668 1HD LYS 110 1HD LYS 110 -3.181 -6.344 -15.854 669 2HD LYS 110 2HD LYS 110 -2.448 -6.247 -14.259 670 1HE LYS 110 1HE LYS 110 -4.870 -6.641 -14.160 671 2HE LYS 110 2HE LYS 110 -4.421 -5.140 -13.348 672 1HZ LYS 110 1HZ LYS 110 -5.444 -5.251 -16.120 673 2HZ LYS 110 2HZ LYS 110 -6.404 -4.971 -14.799 674 3HZ LYS 110 3HZ LYS 110 -5.233 -3.905 -15.201 675 H ASN 111 H ASN 111 -0.529 -1.832 -11.989 676 HA ASN 111 HA ASN 111 1.489 -0.898 -13.896 677 1HB ASN 111 1HB ASN 111 0.166 0.406 -11.482 678 2HB ASN 111 2HB ASN 111 1.459 1.198 -12.378 679 1HD2 ASN 111 2HD2 ASN 111 -1.387 2.047 -12.087 680 2HD2 ASN 111 1HD2 ASN 111 -1.972 2.199 -13.731 681 H THR 112 H THR 112 1.955 -3.072 -11.961 682 HA THR 112 HA THR 112 3.818 -2.228 -9.974 683 HB THR 112 HB THR 112 3.150 -4.965 -11.063 684 HG1 THR 112 HG1 THR 112 1.436 -4.351 -10.055 685 1HG2 THR 112 1HG2 THR 112 4.893 -4.031 -8.762 686 2HG2 THR 112 2HG2 THR 112 3.929 -5.511 -8.655 687 3HG2 THR 112 3HG2 THR 112 5.136 -5.375 -9.930 688 HA PRO 113 HA PRO 113 7.456 -2.474 -12.750 689 1HB PRO 113 1HB PRO 113 9.259 -1.118 -11.232 690 2HB PRO 113 2HB PRO 113 7.927 -0.283 -12.081 691 1HG PRO 113 1HG PRO 113 8.004 -1.183 -9.185 692 2HG PRO 113 2HG PRO 113 7.558 0.425 -9.851 693 1HD PRO 113 1HD PRO 113 5.717 -1.512 -9.198 694 2HD PRO 113 2HD PRO 113 5.455 -0.326 -10.512 695 H SER 114 H SER 114 6.622 -4.074 -10.059 696 HA SER 114 HA SER 114 7.191 -5.975 -9.022 697 1HB SER 114 1HB SER 114 8.946 -6.335 -11.473 698 2HB SER 114 2HB SER 114 8.385 -7.613 -10.377 699 HG SER 114 HG SER 114 7.026 -6.301 -12.385 700 H ALA 115 H ALA 115 9.053 -7.448 -8.275 701 HA ALA 115 HA ALA 115 10.789 -6.005 -6.569 702 1HB ALA 115 1HB ALA 115 10.677 -8.957 -7.251 703 2HB ALA 115 2HB ALA 115 11.634 -8.232 -5.943 704 3HB ALA 115 3HB ALA 115 9.875 -8.127 -5.891 705 H ALA 116 H ALA 116 11.617 -4.728 -8.397 706 HA ALA 116 HA ALA 116 14.389 -5.612 -8.918 707 1HB ALA 116 1HB ALA 116 12.503 -4.414 -10.992 708 2HB ALA 116 2HB ALA 116 14.250 -4.660 -11.220 709 3HB ALA 116 3HB ALA 116 13.177 -6.053 -11.000 710 H ASN 117 H ASN 117 12.469 -3.527 -7.351 711 HA ASN 117 HA ASN 117 14.448 -1.554 -6.925 712 1HB ASN 117 1HB ASN 117 12.501 -0.920 -9.064 713 2HB ASN 117 2HB ASN 117 12.466 0.273 -7.784 714 1HD2 ASN 117 2HD2 ASN 117 13.631 0.232 -10.651 715 2HD2 ASN 117 1HD2 ASN 117 15.235 0.896 -10.407 716 H ILE 118 H ILE 118 12.156 -3.349 -5.652 717 HA ILE 118 HA ILE 118 10.221 -1.556 -4.602 718 HB ILE 118 HB ILE 118 11.089 -4.352 -3.768 719 1HG1 ILE 118 1HG1 ILE 118 10.062 -4.061 -6.015 720 2HG1 ILE 118 2HG1 ILE 118 9.168 -5.132 -4.948 721 1HG2 ILE 118 1HG2 ILE 118 8.739 -2.764 -2.669 722 2HG2 ILE 118 2HG2 ILE 118 8.921 -4.528 -2.529 723 3HG2 ILE 118 3HG2 ILE 118 10.103 -3.457 -1.773 724 1HD1 ILE 118 1HD1 ILE 118 8.387 -2.221 -5.450 725 2HD1 ILE 118 2HD1 ILE 118 7.765 -3.606 -6.343 726 3HD1 ILE 118 3HD1 ILE 118 7.450 -3.468 -4.597 727 H SER 119 H SER 119 13.284 -2.714 -3.118 728 HA SER 119 HA SER 119 12.944 -1.383 -0.663 729 1HB SER 119 1HB SER 119 14.710 -3.044 -1.120 730 2HB SER 119 2HB SER 119 15.460 -1.936 -2.289 731 HG SER 119 HG SER 119 15.100 -1.483 0.490 732 H ALA 120 H ALA 120 14.114 -0.209 -3.749 733 HA ALA 120 HA ALA 120 15.041 2.361 -2.742 734 1HB ALA 120 1HB ALA 120 15.953 1.388 -4.835 735 2HB ALA 120 2HB ALA 120 14.362 1.574 -5.612 736 3HB ALA 120 3HB ALA 120 15.269 3.003 -5.090 737 H TYR 121 H TYR 121 11.990 1.232 -4.346 738 HA TYR 121 HA TYR 121 10.766 3.815 -4.342 739 1HB TYR 121 1HB TYR 121 9.629 0.995 -4.355 740 2HB TYR 121 2HB TYR 121 8.653 2.450 -4.423 741 HD1 TYR 121 HD1 TYR 121 9.396 4.249 -6.273 742 HD2 TYR 121 HD2 TYR 121 10.045 -0.011 -6.461 743 HE1 TYR 121 HE1 TYR 121 9.334 4.354 -8.743 744 HE2 TYR 121 HE2 TYR 121 10.083 0.110 -8.940 745 HH TYR 121 HH TYR 121 9.318 3.126 -10.720 746 H ALA 122 H ALA 122 10.792 1.152 -1.880 747 HA ALA 122 HA ALA 122 8.987 2.506 -0.093 748 1HB ALA 122 1HB ALA 122 9.448 0.087 0.024 749 2HB ALA 122 2HB ALA 122 11.143 0.407 0.447 750 3HB ALA 122 3HB ALA 122 9.843 0.877 1.562 751 H ASP 123 H ASP 123 12.542 2.527 -0.442 752 HA ASP 123 HA ASP 123 13.164 4.206 1.748 753 1HB ASP 123 1HB ASP 123 14.666 2.877 0.059 754 2HB ASP 123 2HB ASP 123 14.632 4.349 -0.904 755 H ILE 124 H ILE 124 12.278 4.998 -1.631 756 HA ILE 124 HA ILE 124 12.415 7.809 -1.372 757 HB ILE 124 HB ILE 124 11.027 5.893 -3.243 758 1HG1 ILE 124 1HG1 ILE 124 13.097 8.058 -3.789 759 2HG1 ILE 124 2HG1 ILE 124 13.541 6.445 -3.247 760 1HG2 ILE 124 1HG2 ILE 124 10.754 8.910 -3.396 761 2HG2 ILE 124 2HG2 ILE 124 10.287 7.752 -4.673 762 3HG2 ILE 124 3HG2 ILE 124 9.439 7.741 -3.137 763 1HD1 ILE 124 1HD1 ILE 124 12.417 5.448 -5.232 764 2HD1 ILE 124 2HD1 ILE 124 12.084 7.088 -5.837 765 3HD1 ILE 124 3HD1 ILE 124 13.756 6.536 -5.637 766 H VAL 125 H VAL 125 9.611 5.595 -0.770 767 HA VAL 125 HA VAL 125 7.795 7.722 -0.100 768 HB VAL 125 HB VAL 125 7.873 4.795 0.718 769 1HG1 VAL 125 1HG1 VAL 125 5.572 6.789 1.035 770 2HG1 VAL 125 2HG1 VAL 125 5.483 5.041 1.336 771 3HG1 VAL 125 3HG1 VAL 125 6.485 6.062 2.365 772 1HG2 VAL 125 1HG2 VAL 125 6.240 6.284 -1.379 773 2HG2 VAL 125 2HG2 VAL 125 7.567 5.174 -1.709 774 3HG2 VAL 125 3HG2 VAL 125 6.096 4.554 -0.970 775 H ARG 126 H ARG 126 9.983 5.709 1.938 776 HA ARG 126 HA ARG 126 9.467 7.010 4.403 777 1HB ARG 126 1HB ARG 126 10.740 4.937 4.258 778 2HB ARG 126 2HB ARG 126 12.004 5.711 3.324 779 1HG ARG 126 1HG ARG 126 12.665 5.313 5.606 780 2HG ARG 126 2HG ARG 126 12.691 7.039 5.245 781 1HD ARG 126 1HD ARG 126 10.793 7.480 6.603 782 2HD ARG 126 2HD ARG 126 10.256 5.806 6.548 783 HE ARG 126 HE ARG 126 12.841 5.939 7.729 784 1HH1 ARG 126 1HH1 ARG 126 9.367 6.310 8.458 785 2HH1 ARG 126 2HH1 ARG 126 9.533 5.698 10.057 786 1HH2 ARG 126 1HH2 ARG 126 13.077 5.474 10.001 787 2HH2 ARG 126 2HH2 ARG 126 11.669 5.471 11.015 788 H GLU 127 H GLU 127 11.734 7.939 1.769 789 HA GLU 127 HA GLU 127 12.914 10.128 3.045 790 1HB GLU 127 1HB GLU 127 13.196 8.988 0.585 791 2HB GLU 127 2HB GLU 127 12.179 10.337 0.121 792 1HG GLU 127 1HG GLU 127 14.206 11.292 -0.212 793 2HG GLU 127 2HG GLU 127 13.981 11.755 1.476 794 H ARG 128 H ARG 128 9.840 9.983 1.179 795 HA ARG 128 HA ARG 128 9.397 12.846 1.582 796 1HB ARG 128 1HB ARG 128 7.231 10.868 0.804 797 2HB ARG 128 2HB ARG 128 7.278 12.608 0.529 798 1HG ARG 128 1HG ARG 128 8.762 10.414 -0.893 799 2HG ARG 128 2HG ARG 128 7.715 11.630 -1.572 800 1HD ARG 128 1HD ARG 128 9.410 13.358 -1.321 801 2HD ARG 128 2HD ARG 128 10.463 12.260 -0.409 802 HE ARG 128 HE ARG 128 9.694 11.232 -2.983 803 1HH1 ARG 128 1HH1 ARG 128 12.222 13.139 -1.249 804 2HH1 ARG 128 2HH1 ARG 128 13.407 12.884 -2.451 805 1HH2 ARG 128 1HH2 ARG 128 11.378 10.852 -4.558 806 2HH2 ARG 128 2HH2 ARG 128 12.941 11.590 -4.303 807 H ALA 129 H ALA 129 8.426 9.923 3.382 808 HA ALA 129 HA ALA 129 6.689 11.293 5.215 809 1HB ALA 129 1HB ALA 129 6.804 8.826 5.024 810 2HB ALA 129 2HB ALA 129 8.445 8.852 5.713 811 3HB ALA 129 3HB ALA 129 7.066 9.399 6.683 812 H VAL 130 H VAL 130 10.276 10.717 5.197 813 HA VAL 130 HA VAL 130 10.696 12.096 7.636 814 HB VAL 130 HB VAL 130 12.465 11.327 5.321 815 1HG1 VAL 130 1HG1 VAL 130 13.261 12.755 7.882 816 2HG1 VAL 130 2HG1 VAL 130 14.408 11.831 6.888 817 3HG1 VAL 130 3HG1 VAL 130 13.600 13.252 6.209 818 1HG2 VAL 130 1HG2 VAL 130 11.561 9.548 6.885 819 2HG2 VAL 130 2HG2 VAL 130 13.319 9.685 6.968 820 3HG2 VAL 130 3HG2 VAL 130 12.312 10.397 8.244 821 H VAL 131 H VAL 131 10.511 13.306 4.278 822 HA VAL 131 HA VAL 131 11.173 16.005 4.962 823 HB VAL 131 HB VAL 131 9.383 14.865 2.784 824 1HG1 VAL 131 1HG1 VAL 131 10.298 17.731 3.153 825 2HG1 VAL 131 2HG1 VAL 131 9.621 17.076 1.643 826 3HG1 VAL 131 3HG1 VAL 131 8.619 17.153 3.100 827 1HG2 VAL 131 1HG2 VAL 131 11.857 14.383 2.676 828 2HG2 VAL 131 2HG2 VAL 131 11.280 15.387 1.342 829 3HG2 VAL 131 3HG2 VAL 131 12.167 16.116 2.702 830 H ARG 132 H ARG 132 8.141 14.205 5.509 831 HA ARG 132 HA ARG 132 6.695 16.559 6.419 832 1HB ARG 132 1HB ARG 132 5.486 14.596 5.607 833 2HB ARG 132 2HB ARG 132 6.136 13.607 6.908 834 1HG ARG 132 1HG ARG 132 4.912 14.794 8.576 835 2HG ARG 132 2HG ARG 132 4.425 16.064 7.422 836 1HD ARG 132 1HD ARG 132 3.078 14.521 6.156 837 2HD ARG 132 2HD ARG 132 3.741 13.131 7.007 838 HE ARG 132 HE ARG 132 1.889 15.172 8.183 839 1HH1 ARG 132 1HH1 ARG 132 3.444 11.999 8.552 840 2HH1 ARG 132 2HH1 ARG 132 2.202 11.348 9.546 841 1HH2 ARG 132 1HH2 ARG 132 0.348 14.406 9.559 842 2HH2 ARG 132 2HH2 ARG 132 0.475 12.837 10.315 843 H GLU 133 H GLU 133 8.435 13.964 8.010 844 HA GLU 133 HA GLU 133 7.981 14.955 10.635 845 1HB GLU 133 1HB GLU 133 9.139 13.176 11.432 846 2HB GLU 133 2HB GLU 133 8.770 12.617 9.832 847 1HG GLU 133 1HG GLU 133 10.948 11.940 10.086 848 2HG GLU 133 2HG GLU 133 11.161 13.438 9.200 849 H MET 134 H MET 134 10.586 15.712 8.360 850 HA MET 134 HA MET 134 12.010 17.447 10.215 851 1HB MET 134 1HB MET 134 12.210 16.947 7.213 852 2HB MET 134 2HB MET 134 13.242 18.085 8.081 853 1HG MET 134 1HG MET 134 14.110 16.327 9.513 854 2HG MET 134 2HG MET 134 13.028 15.141 8.778 855 1HE MET 134 1HE MET 134 16.202 17.415 8.286 856 2HE MET 134 2HE MET 134 16.664 17.051 6.611 857 3HE MET 134 3HE MET 134 15.197 17.990 6.931 858 H ILE 135 H ILE 135 9.177 17.849 8.403 859 HA ILE 135 HA ILE 135 7.928 19.465 7.630 860 HB ILE 135 HB ILE 135 9.411 21.069 9.701 861 1HG1 ILE 135 1HG1 ILE 135 7.801 19.201 10.312 862 2HG1 ILE 135 2HG1 ILE 135 7.532 20.770 11.039 863 1HG2 ILE 135 1HG2 ILE 135 7.208 22.097 7.894 864 2HG2 ILE 135 2HG2 ILE 135 7.633 22.811 9.468 865 3HG2 ILE 135 3HG2 ILE 135 8.818 22.788 8.169 866 1HD1 ILE 135 1HD1 ILE 135 5.963 19.666 8.664 867 2HD1 ILE 135 2HD1 ILE 135 5.446 19.661 10.360 868 3HD1 ILE 135 3HD1 ILE 135 5.649 21.195 9.527 869 H SER 136 H SER 136 8.261 19.528 5.552 870 HA SER 136 HA SER 136 10.391 20.860 4.187 871 1HB SER 136 1HB SER 136 8.461 21.103 2.395 872 2HB SER 136 2HB SER 136 9.249 19.573 2.692 873 HG SER 136 HG SER 136 6.937 20.226 4.200 Start of MODEL 17 1 1H MET 23 1H MET 23 8.301 26.243 4.917 2 2H MET 23 2H MET 23 8.389 27.242 3.616 3 3H MET 23 3H MET 23 7.797 27.803 5.049 4 HA MET 23 HA MET 23 5.921 26.345 4.925 5 1HB MET 23 1HB MET 23 6.359 28.030 2.435 6 2HB MET 23 2HB MET 23 4.799 27.382 2.949 7 1HG MET 23 1HG MET 23 6.510 29.406 4.434 8 2HG MET 23 2HG MET 23 5.022 29.719 3.557 9 1HE MET 23 1HE MET 23 2.696 29.053 4.209 10 2HE MET 23 2HE MET 23 3.033 27.325 4.476 11 3HE MET 23 3HE MET 23 2.217 28.276 5.728 12 H LYS 24 H LYS 24 7.267 24.206 4.716 13 HA LYS 24 HA LYS 24 7.951 23.273 2.126 14 1HB LYS 24 1HB LYS 24 9.087 22.414 4.065 15 2HB LYS 24 2HB LYS 24 7.570 21.860 4.778 16 1HG LYS 24 1HG LYS 24 8.783 19.953 3.982 17 2HG LYS 24 2HG LYS 24 7.325 20.133 3.035 18 1HD LYS 24 1HD LYS 24 8.923 19.620 1.417 19 2HD LYS 24 2HD LYS 24 8.834 21.379 1.291 20 1HE LYS 24 1HE LYS 24 10.791 21.388 3.028 21 2HE LYS 24 2HE LYS 24 10.927 19.656 2.680 22 1HZ LYS 24 1HZ LYS 24 11.164 20.344 0.298 23 2HZ LYS 24 2HZ LYS 24 11.285 21.911 0.825 24 3HZ LYS 24 3HZ LYS 24 12.413 20.834 1.283 25 H VAL 25 H VAL 25 6.462 22.957 0.546 26 HA VAL 25 HA VAL 25 3.902 21.593 1.182 27 HB VAL 25 HB VAL 25 5.032 22.470 -1.513 28 1HG1 VAL 25 1HG1 VAL 25 3.395 20.582 -1.617 29 2HG1 VAL 25 2HG1 VAL 25 2.231 21.538 -0.682 30 3HG1 VAL 25 3HG1 VAL 25 2.731 22.054 -2.307 31 1HG2 VAL 25 1HG2 VAL 25 2.932 23.790 0.270 32 2HG2 VAL 25 2HG2 VAL 25 4.540 24.448 -0.121 33 3HG2 VAL 25 3HG2 VAL 25 3.331 24.274 -1.393 34 HA PRO 26 HA PRO 26 6.574 17.976 0.535 35 1HB PRO 26 1HB PRO 26 4.713 15.965 0.752 36 2HB PRO 26 2HB PRO 26 5.407 16.842 2.151 37 1HG PRO 26 1HG PRO 26 2.761 17.315 0.783 38 2HG PRO 26 2HG PRO 26 3.119 17.257 2.537 39 1HD PRO 26 1HD PRO 26 2.895 19.590 1.088 40 2HD PRO 26 2HD PRO 26 3.943 19.440 2.531 41 HA PRO 27 HA PRO 27 5.446 17.586 -3.827 42 1HB PRO 27 1HB PRO 27 7.345 15.865 -4.721 43 2HB PRO 27 2HB PRO 27 7.779 17.516 -4.195 44 1HG PRO 27 1HG PRO 27 7.943 14.959 -2.592 45 2HG PRO 27 2HG PRO 27 9.202 16.206 -2.808 46 1HD PRO 27 1HD PRO 27 7.526 16.142 -0.623 47 2HD PRO 27 2HD PRO 27 8.128 17.678 -1.307 48 H HIS 28 H HIS 28 5.474 15.118 -1.441 49 HA HIS 28 HA HIS 28 4.672 13.046 -1.164 50 1HB HIS 28 1HB HIS 28 2.811 13.532 -3.519 51 2HB HIS 28 2HB HIS 28 2.640 12.336 -2.252 52 HD1 HIS 28 HD1 HIS 28 2.178 16.094 -2.873 53 HD2 HIS 28 HD2 HIS 28 1.493 13.109 0.035 54 HE1 HIS 28 HE1 HIS 28 0.761 17.178 -1.076 55 H SER 29 H SER 29 4.394 10.873 -2.434 56 HA SER 29 HA SER 29 5.545 10.769 -5.122 57 1HB SER 29 1HB SER 29 6.846 9.265 -2.803 58 2HB SER 29 2HB SER 29 7.153 8.988 -4.534 59 HG SER 29 HG SER 29 7.311 11.603 -3.944 60 H ILE 30 H ILE 30 3.129 10.681 -4.829 61 HA ILE 30 HA ILE 30 1.578 8.585 -3.838 62 HB ILE 30 HB ILE 30 1.460 10.170 -6.469 63 1HG1 ILE 30 1HG1 ILE 30 1.458 11.614 -4.453 64 2HG1 ILE 30 2HG1 ILE 30 0.040 11.769 -5.461 65 1HG2 ILE 30 1HG2 ILE 30 -0.039 8.251 -6.715 66 2HG2 ILE 30 2HG2 ILE 30 -0.924 8.745 -5.255 67 3HG2 ILE 30 3HG2 ILE 30 -0.904 9.787 -6.681 68 1HD1 ILE 30 1HD1 ILE 30 0.100 10.019 -2.976 69 2HD1 ILE 30 2HD1 ILE 30 -0.399 11.722 -2.963 70 3HD1 ILE 30 3HD1 ILE 30 -1.327 10.536 -3.897 71 H GLU 31 H GLU 31 3.220 8.785 -7.057 72 HA GLU 31 HA GLU 31 2.421 6.147 -7.766 73 1HB GLU 31 1HB GLU 31 4.580 8.006 -8.754 74 2HB GLU 31 2HB GLU 31 4.160 6.455 -9.522 75 1HG GLU 31 1HG GLU 31 1.786 7.198 -9.719 76 2HG GLU 31 2HG GLU 31 2.185 8.729 -8.976 77 H ALA 32 H ALA 32 5.335 7.279 -6.094 78 HA ALA 32 HA ALA 32 6.696 4.714 -6.219 79 1HB ALA 32 1HB ALA 32 7.877 6.847 -5.606 80 2HB ALA 32 2HB ALA 32 7.002 6.826 -4.047 81 3HB ALA 32 3HB ALA 32 8.127 5.527 -4.447 82 H GLU 33 H GLU 33 4.479 6.256 -3.868 83 HA GLU 33 HA GLU 33 4.253 4.149 -1.989 84 1HB GLU 33 1HB GLU 33 2.434 6.411 -2.871 85 2HB GLU 33 2HB GLU 33 1.861 5.206 -1.768 86 1HG GLU 33 1HG GLU 33 3.738 5.827 -0.205 87 2HG GLU 33 2HG GLU 33 4.225 7.072 -1.358 88 H GLN 34 H GLN 34 2.377 4.798 -4.993 89 HA GLN 34 HA GLN 34 0.716 2.539 -4.918 90 1HB GLN 34 1HB GLN 34 1.855 4.018 -7.334 91 2HB GLN 34 2HB GLN 34 0.708 2.701 -7.440 92 1HG GLN 34 1HG GLN 34 -0.833 4.001 -5.951 93 2HG GLN 34 2HG GLN 34 0.238 5.386 -6.151 94 1HE2 GLN 34 2HE2 GLN 34 -2.644 4.757 -7.039 95 2HE2 GLN 34 1HE2 GLN 34 -2.658 5.162 -8.733 96 H SER 35 H SER 35 3.898 2.897 -6.630 97 HA SER 35 HA SER 35 3.929 0.254 -7.582 98 1HB SER 35 1HB SER 35 6.196 2.237 -7.141 99 2HB SER 35 2HB SER 35 6.281 0.773 -8.135 100 HG SER 35 HG SER 35 4.570 1.639 -9.426 101 H VAL 36 H VAL 36 5.091 1.563 -4.480 102 HA VAL 36 HA VAL 36 6.527 -0.808 -3.681 103 HB VAL 36 HB VAL 36 5.167 1.465 -2.168 104 1HG1 VAL 36 1HG1 VAL 36 6.624 -0.912 -0.962 105 2HG1 VAL 36 2HG1 VAL 36 6.297 0.608 -0.102 106 3HG1 VAL 36 3HG1 VAL 36 4.955 -0.407 -0.633 107 1HG2 VAL 36 1HG2 VAL 36 7.332 1.879 -3.342 108 2HG2 VAL 36 2HG2 VAL 36 7.432 2.099 -1.600 109 3HG2 VAL 36 3HG2 VAL 36 8.091 0.621 -2.359 110 H LEU 37 H LEU 37 3.179 0.308 -3.017 111 HA LEU 37 HA LEU 37 2.439 -2.053 -1.617 112 1HB LEU 37 1HB LEU 37 0.809 0.069 -3.056 113 2HB LEU 37 2HB LEU 37 0.118 -1.135 -1.979 114 HG LEU 37 HG LEU 37 2.315 0.796 -1.089 115 1HD1 LEU 37 1HD1 LEU 37 -0.687 1.127 -0.897 116 2HD1 LEU 37 2HD1 LEU 37 0.516 2.117 -0.050 117 3HD1 LEU 37 3HD1 LEU 37 0.445 2.132 -1.823 118 1HD2 LEU 37 1HD2 LEU 37 2.057 -1.175 0.379 119 2HD2 LEU 37 2HD2 LEU 37 1.584 0.329 1.168 120 3HD2 LEU 37 3HD2 LEU 37 0.337 -0.782 0.584 121 H GLY 38 H GLY 38 2.118 -1.183 -5.024 122 1HA GLY 38 1HA GLY 38 0.828 -3.526 -5.999 123 2HA GLY 38 2HA GLY 38 1.950 -2.447 -6.871 124 H GLY 39 H GLY 39 4.328 -2.759 -5.443 125 1HA GLY 39 1HA GLY 39 5.296 -5.110 -6.752 126 2HA GLY 39 2HA GLY 39 6.192 -4.024 -5.680 127 H LEU 40 H LEU 40 4.161 -4.479 -3.478 128 HA LEU 40 HA LEU 40 5.229 -6.851 -2.229 129 1HB LEU 40 1HB LEU 40 2.721 -5.204 -1.712 130 2HB LEU 40 2HB LEU 40 3.259 -6.505 -0.671 131 HG LEU 40 HG LEU 40 4.901 -3.998 -1.264 132 1HD1 LEU 40 1HD1 LEU 40 3.211 -4.706 1.155 133 2HD1 LEU 40 2HD1 LEU 40 4.286 -3.298 1.024 134 3HD1 LEU 40 3HD1 LEU 40 2.859 -3.449 -0.019 135 1HD2 LEU 40 1HD2 LEU 40 5.288 -6.309 0.662 136 2HD2 LEU 40 2HD2 LEU 40 6.363 -5.810 -0.658 137 3HD2 LEU 40 3HD2 LEU 40 6.179 -4.767 0.754 138 H MET 41 H MET 41 2.229 -6.217 -4.107 139 HA MET 41 HA MET 41 1.152 -8.868 -3.751 140 1HB MET 41 1HB MET 41 0.629 -6.942 -6.044 141 2HB MET 41 2HB MET 41 -0.371 -8.303 -5.534 142 1HG MET 41 1HG MET 41 -0.773 -7.145 -3.347 143 2HG MET 41 2HG MET 41 0.163 -5.767 -3.946 144 1HE MET 41 1HE MET 41 -2.464 -4.904 -2.894 145 2HE MET 41 2HE MET 41 -1.514 -3.812 -3.933 146 3HE MET 41 3HE MET 41 -3.254 -4.041 -4.238 147 H LEU 42 H LEU 42 3.593 -7.476 -5.855 148 HA LEU 42 HA LEU 42 3.716 -9.691 -7.746 149 1HB LEU 42 1HB LEU 42 5.602 -7.460 -7.237 150 2HB LEU 42 2HB LEU 42 5.839 -8.738 -8.429 151 HG LEU 42 HG LEU 42 3.477 -6.793 -8.359 152 1HD1 LEU 42 1HD1 LEU 42 5.657 -5.869 -8.961 153 2HD1 LEU 42 2HD1 LEU 42 5.835 -7.143 -10.209 154 3HD1 LEU 42 3HD1 LEU 42 4.538 -5.916 -10.357 155 1HD2 LEU 42 1HD2 LEU 42 4.175 -8.999 -10.364 156 2HD2 LEU 42 2HD2 LEU 42 2.675 -8.856 -9.408 157 3HD2 LEU 42 3HD2 LEU 42 3.018 -7.687 -10.673 158 H ASP 43 H ASP 43 5.387 -8.772 -4.775 159 HA ASP 43 HA ASP 43 6.682 -11.434 -4.522 160 1HB ASP 43 1HB ASP 43 8.152 -10.133 -5.948 161 2HB ASP 43 2HB ASP 43 8.220 -8.843 -4.759 162 H ASN 44 H ASN 44 5.823 -11.943 -2.705 163 HA ASN 44 HA ASN 44 5.088 -10.171 -0.595 164 1HB ASN 44 1HB ASN 44 5.422 -13.170 -0.600 165 2HB ASN 44 2HB ASN 44 4.922 -12.264 0.825 166 1HD2 ASN 44 2HD2 ASN 44 3.319 -14.239 -0.566 167 2HD2 ASN 44 1HD2 ASN 44 1.875 -13.415 -1.138 168 H GLU 45 H GLU 45 8.247 -11.688 -1.269 169 HA GLU 45 HA GLU 45 9.056 -11.472 1.576 170 1HB GLU 45 1HB GLU 45 10.627 -12.284 -0.890 171 2HB GLU 45 2HB GLU 45 11.347 -12.021 0.701 172 1HG GLU 45 1HG GLU 45 9.393 -13.651 1.521 173 2HG GLU 45 2HG GLU 45 9.425 -14.183 -0.159 174 H ARG 46 H ARG 46 8.738 -9.299 -1.047 175 HA ARG 46 HA ARG 46 10.763 -7.430 -0.051 176 1HB ARG 46 1HB ARG 46 8.350 -6.781 -1.770 177 2HB ARG 46 2HB ARG 46 9.829 -5.838 -1.611 178 1HG ARG 46 1HG ARG 46 9.696 -8.618 -2.817 179 2HG ARG 46 2HG ARG 46 9.518 -7.164 -3.753 180 1HD ARG 46 1HD ARG 46 11.760 -8.092 -3.998 181 2HD ARG 46 2HD ARG 46 11.833 -6.506 -3.235 182 HE ARG 46 HE ARG 46 12.695 -7.410 -1.334 183 1HH1 ARG 46 1HH1 ARG 46 11.524 -10.267 -3.249 184 2HH1 ARG 46 2HH1 ARG 46 12.468 -11.334 -2.269 185 1HH2 ARG 46 1HH2 ARG 46 13.697 -8.755 -0.141 186 2HH2 ARG 46 2HH2 ARG 46 13.842 -10.462 -0.463 187 H TRP 47 H TRP 47 7.699 -8.472 1.159 188 HA TRP 47 HA TRP 47 6.740 -6.117 2.402 189 1HB TRP 47 1HB TRP 47 5.566 -8.270 2.511 190 2HB TRP 47 2HB TRP 47 6.864 -8.952 3.486 191 HD1 TRP 47 HD1 TRP 47 6.918 -8.439 6.035 192 HE1 TRP 47 HE1 TRP 47 5.182 -7.480 7.641 193 HE3 TRP 47 HE3 TRP 47 3.915 -6.061 2.677 194 HZ2 TRP 47 HZ2 TRP 47 3.059 -5.481 7.535 195 HZ3 TRP 47 HZ3 TRP 47 2.099 -4.535 3.444 196 HH2 TRP 47 HH2 TRP 47 1.661 -4.245 5.870 197 H ASP 48 H ASP 48 9.261 -8.414 3.529 198 HA ASP 48 HA ASP 48 9.755 -7.004 5.943 199 1HB ASP 48 1HB ASP 48 10.942 -9.219 4.414 200 2HB ASP 48 2HB ASP 48 12.178 -8.284 5.232 201 H ASP 49 H ASP 49 10.676 -6.324 2.741 202 HA ASP 49 HA ASP 49 13.107 -4.757 3.495 203 1HB ASP 49 1HB ASP 49 11.801 -5.230 0.776 204 2HB ASP 49 2HB ASP 49 13.258 -4.280 1.044 205 H VAL 50 H VAL 50 9.861 -4.310 2.178 206 HA VAL 50 HA VAL 50 9.900 -1.446 2.097 207 HB VAL 50 HB VAL 50 7.760 -3.604 2.148 208 1HG1 VAL 50 1HG1 VAL 50 7.407 -0.593 1.646 209 2HG1 VAL 50 2HG1 VAL 50 6.148 -1.837 1.420 210 3HG1 VAL 50 3HG1 VAL 50 6.762 -1.491 3.031 211 1HG2 VAL 50 1HG2 VAL 50 9.194 -3.471 0.093 212 2HG2 VAL 50 2HG2 VAL 50 7.518 -3.041 -0.242 213 3HG2 VAL 50 3HG2 VAL 50 8.753 -1.772 -0.095 214 H ALA 51 H ALA 51 8.398 -3.769 4.485 215 HA ALA 51 HA ALA 51 7.780 -1.723 6.333 216 1HB ALA 51 1HB ALA 51 6.639 -3.949 6.221 217 2HB ALA 51 2HB ALA 51 8.127 -4.720 6.804 218 3HB ALA 51 3HB ALA 51 7.242 -3.592 7.850 219 H GLU 52 H GLU 52 10.910 -3.104 5.695 220 HA GLU 52 HA GLU 52 11.929 -2.541 8.306 221 1HB GLU 52 1HB GLU 52 13.037 -3.447 5.696 222 2HB GLU 52 2HB GLU 52 14.122 -2.461 6.637 223 1HG GLU 52 1HG GLU 52 12.662 -4.727 8.033 224 2HG GLU 52 2HG GLU 52 14.102 -5.045 7.068 225 H ARG 53 H ARG 53 11.270 -0.801 5.344 226 HA ARG 53 HA ARG 53 12.980 1.510 6.126 227 1HB ARG 53 1HB ARG 53 11.397 0.896 3.596 228 2HB ARG 53 2HB ARG 53 12.251 2.418 3.898 229 1HG ARG 53 1HG ARG 53 14.399 1.253 4.063 230 2HG ARG 53 2HG ARG 53 13.583 -0.315 3.888 231 1HD ARG 53 1HD ARG 53 12.734 0.408 1.659 232 2HD ARG 53 2HD ARG 53 13.670 1.901 1.796 233 HE ARG 53 HE ARG 53 14.685 -0.890 1.529 234 1HH1 ARG 53 1HH1 ARG 53 15.754 2.465 2.048 235 2HH1 ARG 53 2HH1 ARG 53 17.083 2.332 0.951 236 1HH2 ARG 53 1HH2 ARG 53 16.638 -1.127 0.330 237 2HH2 ARG 53 2HH2 ARG 53 17.695 0.263 0.160 238 H VAL 54 H VAL 54 9.567 0.688 5.376 239 HA VAL 54 HA VAL 54 8.795 3.309 6.526 240 HB VAL 54 HB VAL 54 6.918 3.168 4.862 241 1HG1 VAL 54 1HG1 VAL 54 8.823 4.655 4.474 242 2HG1 VAL 54 2HG1 VAL 54 9.718 3.330 3.684 243 3HG1 VAL 54 3HG1 VAL 54 8.242 3.977 2.951 244 1HG2 VAL 54 1HG2 VAL 54 7.204 0.700 4.324 245 2HG2 VAL 54 2HG2 VAL 54 6.975 1.796 2.948 246 3HG2 VAL 54 3HG2 VAL 54 8.589 1.178 3.321 247 H VAL 55 H VAL 55 6.405 3.377 7.052 248 HA VAL 55 HA VAL 55 5.302 0.857 8.152 249 HB VAL 55 HB VAL 55 4.487 2.245 10.122 250 1HG1 VAL 55 1HG1 VAL 55 6.302 0.587 10.352 251 2HG1 VAL 55 2HG1 VAL 55 7.492 1.834 9.946 252 3HG1 VAL 55 3HG1 VAL 55 6.537 1.975 11.429 253 1HG2 VAL 55 1HG2 VAL 55 5.042 4.516 9.144 254 2HG2 VAL 55 2HG2 VAL 55 5.653 4.253 10.787 255 3HG2 VAL 55 3HG2 VAL 55 6.752 4.162 9.403 256 H ALA 56 H ALA 56 2.788 1.308 8.614 257 HA ALA 56 HA ALA 56 1.657 2.280 6.191 258 1HB ALA 56 1HB ALA 56 0.523 0.690 7.823 259 2HB ALA 56 2HB ALA 56 0.216 2.090 8.872 260 3HB ALA 56 3HB ALA 56 -0.487 2.025 7.252 261 H ASP 57 H ASP 57 2.373 3.833 9.274 262 HA ASP 57 HA ASP 57 0.877 6.200 9.047 263 1HB ASP 57 1HB ASP 57 3.513 5.628 10.468 264 2HB ASP 57 2HB ASP 57 2.576 7.103 10.671 265 H ASP 58 H ASP 58 3.666 5.301 7.213 266 HA ASP 58 HA ASP 58 4.656 7.982 6.635 267 1HB ASP 58 1HB ASP 58 5.231 5.206 5.523 268 2HB ASP 58 2HB ASP 58 5.990 6.642 4.934 269 H PHE 59 H PHE 59 2.221 5.779 5.320 270 HA PHE 59 HA PHE 59 2.261 6.953 2.631 271 1HB PHE 59 1HB PHE 59 0.556 4.800 3.938 272 2HB PHE 59 2HB PHE 59 0.327 5.384 2.302 273 HD1 PHE 59 HD1 PHE 59 2.844 3.790 4.549 274 HD2 PHE 59 HD2 PHE 59 1.624 4.494 0.489 275 HE1 PHE 59 HE1 PHE 59 4.588 2.228 3.771 276 HE2 PHE 59 HE2 PHE 59 3.317 2.857 -0.300 277 HZ PHE 59 HZ PHE 59 4.818 1.733 1.334 278 H TYR 60 H TYR 60 1.700 9.075 2.953 279 HA TYR 60 HA TYR 60 -0.279 10.167 4.591 280 1HB TYR 60 1HB TYR 60 1.478 11.398 3.348 281 2HB TYR 60 2HB TYR 60 0.660 11.053 1.832 282 HD1 TYR 60 HD1 TYR 60 0.312 12.751 5.108 283 HD2 TYR 60 HD2 TYR 60 -1.130 12.499 1.051 284 HE1 TYR 60 HE1 TYR 60 -0.916 14.865 5.432 285 HE2 TYR 60 HE2 TYR 60 -2.347 14.630 1.346 286 HH TYR 60 HH TYR 60 -1.931 16.637 4.272 287 H THR 61 H THR 61 -0.565 8.852 1.311 288 HA THR 61 HA THR 61 -3.190 9.749 0.775 289 HB THR 61 HB THR 61 -2.247 7.516 -0.704 290 HG1 THR 61 HG1 THR 61 -0.150 8.199 -0.583 291 1HG2 THR 61 1HG2 THR 61 -3.983 9.072 -1.470 292 2HG2 THR 61 2HG2 THR 61 -2.770 10.383 -1.486 293 3HG2 THR 61 3HG2 THR 61 -2.610 8.998 -2.592 294 H ARG 62 H ARG 62 -5.031 8.997 1.703 295 HA ARG 62 HA ARG 62 -5.020 6.905 3.560 296 1HB ARG 62 1HB ARG 62 -7.473 8.036 2.148 297 2HB ARG 62 2HB ARG 62 -7.442 7.064 3.623 298 1HG ARG 62 1HG ARG 62 -5.810 8.943 4.505 299 2HG ARG 62 2HG ARG 62 -6.507 9.921 3.222 300 1HD ARG 62 1HD ARG 62 -8.032 8.571 5.498 301 2HD ARG 62 2HD ARG 62 -7.559 10.248 5.453 302 HE ARG 62 HE ARG 62 -9.220 10.761 3.944 303 1HH1 ARG 62 1HH1 ARG 62 -9.365 7.261 4.655 304 2HH1 ARG 62 2HH1 ARG 62 -10.935 7.095 3.941 305 1HH2 ARG 62 1HH2 ARG 62 -11.282 10.534 3.245 306 2HH2 ARG 62 2HH2 ARG 62 -12.021 8.959 3.044 307 HA PRO 63 HA PRO 63 -6.867 3.748 0.558 308 1HB PRO 63 1HB PRO 63 -6.409 3.935 -2.149 309 2HB PRO 63 2HB PRO 63 -7.861 4.569 -1.320 310 1HG PRO 63 1HG PRO 63 -5.364 6.090 -2.099 311 2HG PRO 63 2HG PRO 63 -7.073 6.549 -2.393 312 1HD PRO 63 1HD PRO 63 -5.684 7.556 -0.318 313 2HD PRO 63 2HD PRO 63 -7.400 7.105 -0.107 314 H HIS 64 H HIS 64 -3.733 5.340 -0.203 315 HA HIS 64 HA HIS 64 -2.381 2.852 -0.853 316 1HB HIS 64 1HB HIS 64 -1.267 5.518 0.134 317 2HB HIS 64 2HB HIS 64 -0.336 4.172 -0.464 318 HD1 HIS 64 HD1 HIS 64 0.223 6.640 -1.936 319 HD2 HIS 64 HD2 HIS 64 -2.924 4.029 -2.938 320 HE1 HIS 64 HE1 HIS 64 -0.193 6.882 -4.539 321 H ARG 65 H ARG 65 -2.897 4.820 2.089 322 HA ARG 65 HA ARG 65 -1.378 3.295 3.905 323 1HB ARG 65 1HB ARG 65 -2.779 5.593 4.126 324 2HB ARG 65 2HB ARG 65 -4.008 4.493 4.751 325 1HG ARG 65 1HG ARG 65 -2.062 3.579 6.271 326 2HG ARG 65 2HG ARG 65 -1.196 5.031 5.739 327 1HD ARG 65 1HD ARG 65 -2.240 5.375 7.912 328 2HD ARG 65 2HD ARG 65 -2.944 6.449 6.701 329 HE ARG 65 HE ARG 65 -4.205 4.067 7.949 330 1HH1 ARG 65 1HH1 ARG 65 -4.734 7.091 6.102 331 2HH1 ARG 65 2HH1 ARG 65 -6.445 6.754 5.976 332 1HH2 ARG 65 1HH2 ARG 65 -6.353 3.780 7.781 333 2HH2 ARG 65 2HH2 ARG 65 -7.370 4.843 6.818 334 H HIS 66 H HIS 66 -4.859 3.061 3.084 335 HA HIS 66 HA HIS 66 -5.591 0.939 4.646 336 1HB HIS 66 1HB HIS 66 -6.426 1.794 1.850 337 2HB HIS 66 2HB HIS 66 -7.138 0.394 2.633 338 HD1 HIS 66 HD1 HIS 66 -8.005 3.910 2.349 339 HD2 HIS 66 HD2 HIS 66 -7.926 0.899 5.269 340 HE1 HIS 66 HE1 HIS 66 -9.695 4.603 4.097 341 H ILE 67 H ILE 67 -3.709 0.678 1.600 342 HA ILE 67 HA ILE 67 -4.032 -2.185 1.439 343 HB ILE 67 HB ILE 67 -1.961 -0.342 0.215 344 1HG1 ILE 67 1HG1 ILE 67 -4.335 -1.751 -1.088 345 2HG1 ILE 67 2HG1 ILE 67 -4.464 -0.125 -0.435 346 1HG2 ILE 67 1HG2 ILE 67 -2.524 -3.314 -0.150 347 2HG2 ILE 67 2HG2 ILE 67 -1.608 -2.380 -1.335 348 3HG2 ILE 67 3HG2 ILE 67 -1.000 -2.567 0.310 349 1HD1 ILE 67 1HD1 ILE 67 -2.703 0.681 -1.947 350 2HD1 ILE 67 2HD1 ILE 67 -2.638 -0.934 -2.701 351 3HD1 ILE 67 3HD1 ILE 67 -4.125 0.034 -2.772 352 H PHE 68 H PHE 68 -1.326 -0.112 2.663 353 HA PHE 68 HA PHE 68 0.204 -2.236 3.714 354 1HB PHE 68 1HB PHE 68 0.741 0.303 3.456 355 2HB PHE 68 2HB PHE 68 0.005 0.499 5.029 356 HD1 PHE 68 HD1 PHE 68 1.021 -1.380 6.884 357 HD2 PHE 68 HD2 PHE 68 3.038 0.144 3.379 358 HE1 PHE 68 HE1 PHE 68 3.184 -1.938 7.886 359 HE2 PHE 68 HE2 PHE 68 5.212 -0.363 4.433 360 HZ PHE 68 HZ PHE 68 5.309 -1.411 6.681 361 H THR 69 H THR 69 -2.398 -0.308 5.295 362 HA THR 69 HA THR 69 -2.354 -1.561 7.803 363 HB THR 69 HB THR 69 -4.708 -0.474 6.180 364 HG1 THR 69 HG1 THR 69 -3.157 0.785 8.196 365 1HG2 THR 69 1HG2 THR 69 -4.510 -1.008 9.172 366 2HG2 THR 69 2HG2 THR 69 -5.803 -0.071 8.388 367 3HG2 THR 69 3HG2 THR 69 -5.607 -1.784 8.019 368 H GLU 70 H GLU 70 -4.469 -2.552 4.957 369 HA GLU 70 HA GLU 70 -5.376 -4.675 6.663 370 1HB GLU 70 1HB GLU 70 -6.718 -3.500 4.846 371 2HB GLU 70 2HB GLU 70 -5.870 -4.514 3.689 372 1HG GLU 70 1HG GLU 70 -7.985 -5.575 4.268 373 2HG GLU 70 2HG GLU 70 -6.691 -6.548 4.944 374 H MET 71 H MET 71 -2.758 -4.427 4.317 375 HA MET 71 HA MET 71 -2.158 -7.217 4.055 376 1HB MET 71 1HB MET 71 -0.447 -4.696 4.007 377 2HB MET 71 2HB MET 71 0.203 -6.305 3.756 378 1HG MET 71 1HG MET 71 -1.299 -6.617 1.799 379 2HG MET 71 2HG MET 71 -1.901 -4.990 1.999 380 1HE MET 71 1HE MET 71 -1.114 -5.086 -0.743 381 2HE MET 71 2HE MET 71 0.586 -5.075 -1.218 382 3HE MET 71 3HE MET 71 -0.136 -6.565 -0.576 383 H ALA 72 H ALA 72 -0.942 -4.734 6.436 384 HA ALA 72 HA ALA 72 0.449 -6.662 8.036 385 1HB ALA 72 1HB ALA 72 -0.635 -3.892 8.682 386 2HB ALA 72 2HB ALA 72 0.455 -4.828 9.728 387 3HB ALA 72 3HB ALA 72 0.998 -4.292 8.130 388 H ARG 73 H ARG 73 -2.889 -5.453 8.104 389 HA ARG 73 HA ARG 73 -3.728 -6.651 10.536 390 1HB ARG 73 1HB ARG 73 -4.984 -4.997 8.969 391 2HB ARG 73 2HB ARG 73 -5.491 -6.407 8.035 392 1HG ARG 73 1HG ARG 73 -6.029 -5.996 10.977 393 2HG ARG 73 2HG ARG 73 -7.113 -5.433 9.723 394 1HD ARG 73 1HD ARG 73 -7.835 -7.550 9.103 395 2HD ARG 73 2HD ARG 73 -6.442 -8.385 9.751 396 HE ARG 73 HE ARG 73 -8.845 -7.710 11.147 397 1HH1 ARG 73 1HH1 ARG 73 -5.424 -8.526 11.619 398 2HH1 ARG 73 2HH1 ARG 73 -5.393 -8.192 13.323 399 1HH2 ARG 73 1HH2 ARG 73 -8.975 -7.797 13.477 400 2HH2 ARG 73 2HH2 ARG 73 -7.541 -7.825 14.415 401 H LEU 74 H LEU 74 -3.714 -8.023 7.190 402 HA LEU 74 HA LEU 74 -4.685 -10.593 7.990 403 1HB LEU 74 1HB LEU 74 -3.182 -9.370 5.628 404 2HB LEU 74 2HB LEU 74 -3.392 -11.094 5.690 405 HG LEU 74 HG LEU 74 -5.769 -9.215 5.978 406 1HD1 LEU 74 1HD1 LEU 74 -4.357 -10.189 3.476 407 2HD1 LEU 74 2HD1 LEU 74 -6.075 -9.727 3.495 408 3HD1 LEU 74 3HD1 LEU 74 -4.824 -8.545 3.929 409 1HD2 LEU 74 1HD2 LEU 74 -5.482 -12.137 5.146 410 2HD2 LEU 74 2HD2 LEU 74 -6.196 -11.535 6.655 411 3HD2 LEU 74 3HD2 LEU 74 -6.993 -11.224 5.114 412 H GLN 75 H GLN 75 -1.380 -9.285 7.553 413 HA GLN 75 HA GLN 75 -0.059 -11.702 8.024 414 1HB GLN 75 1HB GLN 75 0.740 -9.300 7.338 415 2HB GLN 75 2HB GLN 75 0.956 -8.998 9.041 416 1HG GLN 75 1HG GLN 75 2.546 -10.769 9.293 417 2HG GLN 75 2HG GLN 75 2.213 -11.449 7.727 418 1HE2 GLN 75 2HE2 GLN 75 2.719 -10.145 5.803 419 2HE2 GLN 75 1HE2 GLN 75 4.106 -9.046 5.888 420 H GLU 76 H GLU 76 -1.411 -9.424 10.277 421 HA GLU 76 HA GLU 76 -0.470 -10.506 12.724 422 1HB GLU 76 1HB GLU 76 -2.012 -8.517 12.574 423 2HB GLU 76 2HB GLU 76 -3.350 -9.645 12.251 424 1HG GLU 76 1HG GLU 76 -2.946 -10.799 14.370 425 2HG GLU 76 2HG GLU 76 -1.672 -9.646 14.748 426 H SER 77 H SER 77 -3.082 -11.726 10.632 427 HA SER 77 HA SER 77 -3.482 -14.068 12.415 428 1HB SER 77 1HB SER 77 -5.201 -14.747 10.849 429 2HB SER 77 2HB SER 77 -5.415 -13.088 11.407 430 HG SER 77 HG SER 77 -4.146 -12.649 9.283 431 H GLY 78 H GLY 78 -0.998 -13.347 10.410 432 1HA GLY 78 1HA GLY 78 0.645 -14.642 9.480 433 2HA GLY 78 2HA GLY 78 -0.216 -16.102 9.996 434 H SER 79 H SER 79 -2.022 -13.761 8.193 435 HA SER 79 HA SER 79 -2.409 -15.748 6.007 436 1HB SER 79 1HB SER 79 -3.731 -13.060 6.581 437 2HB SER 79 2HB SER 79 -4.119 -14.107 5.216 438 HG SER 79 HG SER 79 -4.578 -14.518 7.970 439 HA PRO 80 HA PRO 80 0.448 -13.489 3.436 440 1HB PRO 80 1HB PRO 80 -0.589 -13.713 0.920 441 2HB PRO 80 2HB PRO 80 0.118 -15.099 1.786 442 1HG PRO 80 1HG PRO 80 -2.809 -14.308 1.601 443 2HG PRO 80 2HG PRO 80 -2.100 -15.919 1.288 444 1HD PRO 80 1HD PRO 80 -3.200 -15.321 3.682 445 2HD PRO 80 2HD PRO 80 -1.702 -16.291 3.601 446 H ILE 81 H ILE 81 0.630 -11.581 2.103 447 HA ILE 81 HA ILE 81 -1.535 -9.606 2.425 448 HB ILE 81 HB ILE 81 0.241 -7.993 1.889 449 1HG1 ILE 81 1HG1 ILE 81 2.093 -10.368 1.470 450 2HG1 ILE 81 2HG1 ILE 81 1.459 -9.300 0.207 451 1HG2 ILE 81 1HG2 ILE 81 0.039 -9.058 4.272 452 2HG2 ILE 81 2HG2 ILE 81 1.539 -9.895 3.840 453 3HG2 ILE 81 3HG2 ILE 81 1.514 -8.146 3.903 454 1HD1 ILE 81 1HD1 ILE 81 2.585 -7.374 1.319 455 2HD1 ILE 81 2HD1 ILE 81 3.345 -8.528 2.442 456 3HD1 ILE 81 3HD1 ILE 81 3.699 -8.620 0.705 457 H ASP 82 H ASP 82 -1.330 -11.903 0.496 458 HA ASP 82 HA ASP 82 -0.852 -11.013 -2.162 459 1HB ASP 82 1HB ASP 82 -2.222 -13.370 -0.846 460 2HB ASP 82 2HB ASP 82 -2.694 -13.037 -2.499 461 H LEU 83 H LEU 83 -2.239 -10.337 -3.797 462 HA LEU 83 HA LEU 83 -4.093 -8.405 -3.206 463 1HB LEU 83 1HB LEU 83 -3.123 -8.508 -5.368 464 2HB LEU 83 2HB LEU 83 -3.896 -10.051 -5.710 465 HG LEU 83 HG LEU 83 -6.075 -9.146 -5.838 466 1HD1 LEU 83 1HD1 LEU 83 -5.905 -7.332 -4.094 467 2HD1 LEU 83 2HD1 LEU 83 -4.862 -6.451 -5.218 468 3HD1 LEU 83 3HD1 LEU 83 -6.576 -6.818 -5.636 469 1HD2 LEU 83 1HD2 LEU 83 -4.613 -8.864 -7.828 470 2HD2 LEU 83 2HD2 LEU 83 -5.826 -7.559 -7.684 471 3HD2 LEU 83 3HD2 LEU 83 -4.140 -7.260 -7.218 472 H ILE 84 H ILE 84 -5.043 -11.880 -4.083 473 HA ILE 84 HA ILE 84 -7.752 -11.251 -3.925 474 HB ILE 84 HB ILE 84 -6.460 -13.915 -3.377 475 1HG1 ILE 84 1HG1 ILE 84 -5.281 -13.014 -5.336 476 2HG1 ILE 84 2HG1 ILE 84 -6.233 -14.372 -5.702 477 1HG2 ILE 84 1HG2 ILE 84 -9.102 -13.165 -4.695 478 2HG2 ILE 84 2HG2 ILE 84 -8.459 -14.812 -4.550 479 3HG2 ILE 84 3HG2 ILE 84 -8.880 -13.901 -3.100 480 1HD1 ILE 84 1HD1 ILE 84 -7.985 -12.916 -6.747 481 2HD1 ILE 84 2HD1 ILE 84 -7.001 -11.491 -6.319 482 3HD1 ILE 84 3HD1 ILE 84 -6.383 -12.684 -7.466 483 H THR 85 H THR 85 -5.687 -12.827 -1.465 484 HA THR 85 HA THR 85 -7.609 -12.928 0.546 485 HB THR 85 HB THR 85 -4.585 -12.788 0.638 486 HG1 THR 85 HG1 THR 85 -5.275 -14.641 -0.235 487 1HG2 THR 85 1HG2 THR 85 -6.513 -13.340 2.936 488 2HG2 THR 85 2HG2 THR 85 -4.762 -13.710 2.949 489 3HG2 THR 85 3HG2 THR 85 -5.306 -12.050 2.811 490 H LEU 86 H LEU 86 -5.354 -10.344 -0.163 491 HA LEU 86 HA LEU 86 -5.995 -8.453 1.817 492 1HB LEU 86 1HB LEU 86 -4.095 -8.298 0.237 493 2HB LEU 86 2HB LEU 86 -5.196 -8.067 -1.089 494 HG LEU 86 HG LEU 86 -6.027 -5.944 -0.031 495 1HD1 LEU 86 1HD1 LEU 86 -3.717 -6.482 1.877 496 2HD1 LEU 86 2HD1 LEU 86 -4.511 -4.901 1.695 497 3HD1 LEU 86 3HD1 LEU 86 -5.426 -6.297 2.298 498 1HD2 LEU 86 1HD2 LEU 86 -4.377 -6.011 -1.846 499 2HD2 LEU 86 2HD2 LEU 86 -4.142 -4.639 -0.762 500 3HD2 LEU 86 3HD2 LEU 86 -3.071 -6.071 -0.647 501 H ALA 87 H ALA 87 -7.284 -8.601 -1.475 502 HA ALA 87 HA ALA 87 -9.168 -6.479 -1.178 503 1HB ALA 87 1HB ALA 87 -8.398 -7.344 -3.357 504 2HB ALA 87 2HB ALA 87 -9.231 -8.877 -3.034 505 3HB ALA 87 3HB ALA 87 -10.171 -7.372 -3.227 506 H GLU 88 H GLU 88 -9.498 -10.009 -0.711 507 HA GLU 88 HA GLU 88 -12.250 -10.024 -0.028 508 1HB GLU 88 1HB GLU 88 -9.921 -11.828 0.754 509 2HB GLU 88 2HB GLU 88 -11.573 -12.181 1.221 510 1HG GLU 88 1HG GLU 88 -10.810 -11.786 -1.705 511 2HG GLU 88 2HG GLU 88 -10.613 -13.335 -0.876 512 H SER 89 H SER 89 -9.331 -9.465 1.949 513 HA SER 89 HA SER 89 -10.726 -9.396 4.450 514 1HB SER 89 1HB SER 89 -8.222 -9.728 3.947 515 2HB SER 89 2HB SER 89 -8.110 -7.969 3.918 516 HG SER 89 HG SER 89 -8.614 -7.925 6.081 517 H LEU 90 H LEU 90 -9.742 -6.919 2.103 518 HA LEU 90 HA LEU 90 -10.695 -4.643 3.537 519 1HB LEU 90 1HB LEU 90 -10.309 -5.225 0.584 520 2HB LEU 90 2HB LEU 90 -10.886 -3.667 1.141 521 HG LEU 90 HG LEU 90 -8.347 -4.895 2.284 522 1HD1 LEU 90 1HD1 LEU 90 -8.139 -4.894 -0.150 523 2HD1 LEU 90 2HD1 LEU 90 -8.423 -3.155 -0.174 524 3HD1 LEU 90 3HD1 LEU 90 -6.984 -3.863 0.649 525 1HD2 LEU 90 1HD2 LEU 90 -9.308 -2.938 3.491 526 2HD2 LEU 90 2HD2 LEU 90 -7.742 -2.570 2.796 527 3HD2 LEU 90 3HD2 LEU 90 -9.218 -1.978 1.996 528 H GLU 91 H GLU 91 -12.435 -6.831 1.168 529 HA GLU 91 HA GLU 91 -14.882 -5.554 1.536 530 1HB GLU 91 1HB GLU 91 -13.955 -7.669 -0.003 531 2HB GLU 91 2HB GLU 91 -14.925 -8.524 1.213 532 1HG GLU 91 1HG GLU 91 -16.663 -6.609 0.768 533 2HG GLU 91 2HG GLU 91 -15.681 -6.285 -0.669 534 H ARG 92 H ARG 92 -13.327 -8.050 3.602 535 HA ARG 92 HA ARG 92 -15.639 -8.373 5.318 536 1HB ARG 92 1HB ARG 92 -12.724 -8.716 6.130 537 2HB ARG 92 2HB ARG 92 -14.141 -9.353 6.932 538 1HG ARG 92 1HG ARG 92 -14.311 -10.362 4.286 539 2HG ARG 92 2HG ARG 92 -12.604 -10.422 4.679 540 1HD ARG 92 1HD ARG 92 -12.935 -12.358 5.673 541 2HD ARG 92 2HD ARG 92 -13.809 -11.539 6.956 542 HE ARG 92 HE ARG 92 -14.826 -13.217 4.845 543 1HH1 ARG 92 1HH1 ARG 92 -15.850 -10.835 7.256 544 2HH1 ARG 92 2HH1 ARG 92 -17.447 -10.633 6.628 545 1HH2 ARG 92 1HH2 ARG 92 -17.071 -13.324 4.266 546 2HH2 ARG 92 2HH2 ARG 92 -18.220 -12.268 5.017 547 H GLN 93 H GLN 93 -13.095 -5.928 5.132 548 HA GLN 93 HA GLN 93 -14.007 -4.544 7.561 549 1HB GLN 93 1HB GLN 93 -12.280 -3.537 5.277 550 2HB GLN 93 2HB GLN 93 -12.539 -2.734 6.816 551 1HG GLN 93 1HG GLN 93 -11.244 -5.480 6.655 552 2HG GLN 93 2HG GLN 93 -10.353 -3.982 6.438 553 1HE2 GLN 93 2HE2 GLN 93 -9.084 -4.517 8.282 554 2HE2 GLN 93 1HE2 GLN 93 -9.713 -4.353 9.925 555 H GLY 94 H GLY 94 -15.199 -4.770 4.276 556 1HA GLY 94 1HA GLY 94 -16.937 -3.687 3.265 557 2HA GLY 94 2HA GLY 94 -17.188 -2.685 4.701 558 H GLN 95 H GLN 95 -13.968 -2.846 3.387 559 HA GLN 95 HA GLN 95 -14.106 0.042 2.705 560 1HB GLN 95 1HB GLN 95 -11.894 -1.798 3.676 561 2HB GLN 95 2HB GLN 95 -11.580 -0.150 3.119 562 1HG GLN 95 1HG GLN 95 -12.944 0.827 4.836 563 2HG GLN 95 2HG GLN 95 -13.549 -0.743 5.352 564 1HE2 GLN 95 2HE2 GLN 95 -10.175 -1.069 4.708 565 2HE2 GLN 95 1HE2 GLN 95 -9.682 -1.006 6.384 566 H LEU 96 H LEU 96 -14.151 -2.815 0.962 567 HA LEU 96 HA LEU 96 -11.990 -2.557 -0.817 568 1HB LEU 96 1HB LEU 96 -13.323 -4.565 -0.601 569 2HB LEU 96 2HB LEU 96 -14.705 -3.761 -1.345 570 HG LEU 96 HG LEU 96 -13.464 -3.512 -3.463 571 1HD1 LEU 96 1HD1 LEU 96 -11.177 -4.902 -1.987 572 2HD1 LEU 96 2HD1 LEU 96 -11.267 -4.724 -3.749 573 3HD1 LEU 96 3HD1 LEU 96 -11.140 -3.286 -2.740 574 1HD2 LEU 96 1HD2 LEU 96 -14.754 -5.562 -3.000 575 2HD2 LEU 96 2HD2 LEU 96 -13.360 -5.888 -4.045 576 3HD2 LEU 96 3HD2 LEU 96 -13.298 -6.328 -2.321 577 H ASP 97 H ASP 97 -15.380 -1.355 -1.402 578 HA ASP 97 HA ASP 97 -14.841 0.257 -3.612 579 1HB ASP 97 1HB ASP 97 -17.102 -0.015 -2.887 580 2HB ASP 97 2HB ASP 97 -16.745 0.622 -1.274 581 H SER 98 H SER 98 -14.340 1.052 -0.159 582 HA SER 98 HA SER 98 -13.755 3.780 -0.513 583 1HB SER 98 1HB SER 98 -12.684 2.070 1.751 584 2HB SER 98 2HB SER 98 -13.175 3.768 1.782 585 HG SER 98 HG SER 98 -14.779 2.523 2.710 586 H VAL 99 H VAL 99 -11.753 1.087 -1.328 587 HA VAL 99 HA VAL 99 -9.380 2.892 -1.381 588 HB VAL 99 HB VAL 99 -7.990 0.951 -1.410 589 1HG1 VAL 99 1HG1 VAL 99 -8.645 1.940 0.737 590 2HG1 VAL 99 2HG1 VAL 99 -10.047 0.858 0.852 591 3HG1 VAL 99 3HG1 VAL 99 -8.425 0.187 0.879 592 1HG2 VAL 99 1HG2 VAL 99 -9.605 -0.649 -2.550 593 2HG2 VAL 99 2HG2 VAL 99 -8.737 -1.280 -1.152 594 3HG2 VAL 99 3HG2 VAL 99 -10.431 -0.806 -0.979 595 H GLY 100 H GLY 100 -11.830 2.060 -3.382 596 1HA GLY 100 1HA GLY 100 -11.789 2.933 -5.586 597 2HA GLY 100 2HA GLY 100 -10.101 2.454 -5.779 598 H GLY 101 H GLY 101 -11.989 0.007 -4.229 599 1HA GLY 101 1HA GLY 101 -13.150 -1.804 -4.969 600 2HA GLY 101 2HA GLY 101 -13.119 -1.169 -6.624 601 H PHE 102 H PHE 102 -12.774 -3.727 -6.522 602 HA PHE 102 HA PHE 102 -10.164 -4.756 -5.990 603 1HB PHE 102 1HB PHE 102 -12.537 -5.900 -6.523 604 2HB PHE 102 2HB PHE 102 -11.882 -5.971 -8.146 605 HD1 PHE 102 HD1 PHE 102 -9.202 -6.871 -8.099 606 HD2 PHE 102 HD2 PHE 102 -12.318 -7.845 -5.261 607 HE1 PHE 102 HE1 PHE 102 -7.916 -8.819 -7.360 608 HE2 PHE 102 HE2 PHE 102 -11.024 -9.828 -4.559 609 HZ PHE 102 HZ PHE 102 -8.768 -10.258 -5.545 610 H ALA 103 H ALA 103 -11.552 -3.107 -8.824 611 HA ALA 103 HA ALA 103 -9.492 -3.717 -10.675 612 1HB ALA 103 1HB ALA 103 -11.239 -1.213 -10.462 613 2HB ALA 103 2HB ALA 103 -10.260 -1.675 -11.869 614 3HB ALA 103 3HB ALA 103 -11.619 -2.694 -11.383 615 H TYR 104 H TYR 104 -9.680 -1.021 -8.256 616 HA TYR 104 HA TYR 104 -7.274 0.187 -9.233 617 1HB TYR 104 1HB TYR 104 -9.049 1.246 -7.778 618 2HB TYR 104 2HB TYR 104 -8.416 0.334 -6.409 619 HD1 TYR 104 HD1 TYR 104 -7.431 2.720 -9.130 620 HD2 TYR 104 HD2 TYR 104 -6.652 1.351 -5.116 621 HE1 TYR 104 HE1 TYR 104 -6.000 4.677 -8.758 622 HE2 TYR 104 HE2 TYR 104 -5.216 3.330 -4.720 623 HH TYR 104 HH TYR 104 -4.977 5.968 -7.116 624 H LEU 105 H LEU 105 -7.899 -2.270 -6.692 625 HA LEU 105 HA LEU 105 -5.146 -2.403 -5.856 626 1HB LEU 105 1HB LEU 105 -7.130 -4.694 -5.789 627 2HB LEU 105 2HB LEU 105 -5.677 -4.481 -4.815 628 HG LEU 105 HG LEU 105 -8.091 -2.656 -4.567 629 1HD1 LEU 105 1HD1 LEU 105 -8.602 -4.961 -3.861 630 2HD1 LEU 105 2HD1 LEU 105 -7.186 -4.956 -2.784 631 3HD1 LEU 105 3HD1 LEU 105 -8.552 -3.847 -2.491 632 1HD2 LEU 105 1HD2 LEU 105 -5.547 -2.957 -2.899 633 2HD2 LEU 105 2HD2 LEU 105 -5.998 -1.554 -3.895 634 3HD2 LEU 105 3HD2 LEU 105 -6.941 -1.950 -2.462 635 H ALA 106 H ALA 106 -6.983 -4.152 -8.420 636 HA ALA 106 HA ALA 106 -4.814 -5.898 -9.086 637 1HB ALA 106 1HB ALA 106 -7.210 -4.954 -10.710 638 2HB ALA 106 2HB ALA 106 -6.116 -6.275 -11.170 639 3HB ALA 106 3HB ALA 106 -7.103 -6.430 -9.701 640 H GLU 107 H GLU 107 -5.787 -2.689 -10.259 641 HA GLU 107 HA GLU 107 -3.825 -2.399 -12.316 642 1HB GLU 107 1HB GLU 107 -5.736 -0.851 -12.054 643 2HB GLU 107 2HB GLU 107 -5.163 -0.369 -10.464 644 1HG GLU 107 1HG GLU 107 -4.575 1.382 -11.879 645 2HG GLU 107 2HG GLU 107 -3.058 0.552 -11.573 646 H LEU 108 H LEU 108 -3.752 -1.426 -8.861 647 HA LEU 108 HA LEU 108 -1.074 -0.576 -8.801 648 1HB LEU 108 1HB LEU 108 -2.783 -1.844 -6.634 649 2HB LEU 108 2HB LEU 108 -1.183 -1.172 -6.335 650 HG LEU 108 HG LEU 108 -3.503 0.458 -7.486 651 1HD1 LEU 108 1HD1 LEU 108 -3.954 -0.305 -5.179 652 2HD1 LEU 108 2HD1 LEU 108 -2.365 0.336 -4.671 653 3HD1 LEU 108 3HD1 LEU 108 -3.641 1.436 -5.232 654 1HD2 LEU 108 1HD2 LEU 108 -0.795 1.272 -6.400 655 2HD2 LEU 108 2HD2 LEU 108 -1.353 1.429 -8.089 656 3HD2 LEU 108 3HD2 LEU 108 -2.134 2.373 -6.829 657 H SER 109 H SER 109 -2.356 -3.878 -8.441 658 HA SER 109 HA SER 109 0.036 -5.155 -7.677 659 1HB SER 109 1HB SER 109 -2.303 -6.122 -7.678 660 2HB SER 109 2HB SER 109 -2.169 -6.329 -9.420 661 HG SER 109 HG SER 109 -0.121 -7.491 -8.826 662 H LYS 110 H LYS 110 -0.725 -3.690 -10.731 663 HA LYS 110 HA LYS 110 1.824 -4.866 -11.779 664 1HB LYS 110 1HB LYS 110 -0.627 -4.330 -13.467 665 2HB LYS 110 2HB LYS 110 0.954 -4.759 -14.074 666 1HG LYS 110 1HG LYS 110 0.013 -6.823 -14.141 667 2HG LYS 110 2HG LYS 110 0.795 -6.860 -12.573 668 1HD LYS 110 1HD LYS 110 -1.271 -7.891 -12.300 669 2HD LYS 110 2HD LYS 110 -1.500 -6.332 -11.550 670 1HE LYS 110 1HE LYS 110 -2.384 -7.038 -14.387 671 2HE LYS 110 2HE LYS 110 -3.403 -7.162 -12.950 672 1HZ LYS 110 1HZ LYS 110 -3.043 -4.776 -12.614 673 2HZ LYS 110 2HZ LYS 110 -2.351 -4.675 -14.129 674 3HZ LYS 110 3HZ LYS 110 -3.904 -5.168 -13.955 675 H ASN 111 H ASN 111 0.803 -2.205 -10.413 676 HA ASN 111 HA ASN 111 1.760 -0.235 -12.385 677 1HB ASN 111 1HB ASN 111 -0.175 0.199 -10.809 678 2HB ASN 111 2HB ASN 111 0.994 0.185 -9.470 679 1HD2 ASN 111 2HD2 ASN 111 1.912 2.217 -9.011 680 2HD2 ASN 111 1HD2 ASN 111 1.837 3.588 -10.095 681 H THR 112 H THR 112 3.571 -2.371 -11.557 682 HA THR 112 HA THR 112 5.768 -0.746 -10.485 683 HB THR 112 HB THR 112 5.196 -3.569 -9.493 684 HG1 THR 112 HG1 THR 112 4.861 -1.889 -7.524 685 1HG2 THR 112 1HG2 THR 112 7.558 -2.794 -9.334 686 2HG2 THR 112 2HG2 THR 112 7.021 -1.379 -8.407 687 3HG2 THR 112 3HG2 THR 112 6.818 -3.008 -7.738 688 HA PRO 113 HA PRO 113 7.554 -3.221 -13.903 689 1HB PRO 113 1HB PRO 113 10.163 -2.422 -13.683 690 2HB PRO 113 2HB PRO 113 8.885 -1.415 -14.432 691 1HG PRO 113 1HG PRO 113 9.929 -1.270 -11.582 692 2HG PRO 113 2HG PRO 113 9.705 0.074 -12.741 693 1HD PRO 113 1HD PRO 113 7.825 -0.504 -10.876 694 2HD PRO 113 2HD PRO 113 7.344 -0.009 -12.519 695 H SER 114 H SER 114 7.063 -5.167 -12.818 696 HA SER 114 HA SER 114 7.427 -7.127 -11.789 697 1HB SER 114 1HB SER 114 10.259 -6.571 -12.713 698 2HB SER 114 2HB SER 114 9.478 -8.151 -12.540 699 HG SER 114 HG SER 114 9.441 -7.466 -14.686 700 H ALA 115 H ALA 115 7.849 -4.877 -9.816 701 HA ALA 115 HA ALA 115 8.752 -4.406 -7.731 702 1HB ALA 115 1HB ALA 115 8.907 -7.419 -7.506 703 2HB ALA 115 2HB ALA 115 9.105 -6.256 -6.178 704 3HB ALA 115 3HB ALA 115 7.566 -6.363 -7.035 705 H ALA 116 H ALA 116 10.581 -4.800 -10.217 706 HA ALA 116 HA ALA 116 13.151 -5.623 -9.249 707 1HB ALA 116 1HB ALA 116 12.404 -5.753 -11.626 708 2HB ALA 116 2HB ALA 116 12.317 -3.973 -11.687 709 3HB ALA 116 3HB ALA 116 13.873 -4.774 -11.444 710 H ASN 117 H ASN 117 11.394 -2.662 -9.215 711 HA ASN 117 HA ASN 117 13.775 -1.047 -8.373 712 1HB ASN 117 1HB ASN 117 12.599 -0.475 -10.558 713 2HB ASN 117 2HB ASN 117 11.193 -0.017 -9.604 714 1HD2 ASN 117 2HD2 ASN 117 11.238 2.086 -8.592 715 2HD2 ASN 117 1HD2 ASN 117 12.598 3.164 -8.796 716 H ILE 118 H ILE 118 11.762 -2.823 -6.819 717 HA ILE 118 HA ILE 118 9.817 -1.131 -5.584 718 HB ILE 118 HB ILE 118 9.987 -3.662 -6.068 719 1HG1 ILE 118 1HG1 ILE 118 7.991 -2.553 -5.278 720 2HG1 ILE 118 2HG1 ILE 118 8.184 -4.229 -4.762 721 1HG2 ILE 118 1HG2 ILE 118 11.869 -4.314 -4.744 722 2HG2 ILE 118 2HG2 ILE 118 11.048 -3.811 -3.249 723 3HG2 ILE 118 3HG2 ILE 118 10.402 -5.136 -4.235 724 1HD1 ILE 118 1HD1 ILE 118 8.884 -3.505 -2.533 725 2HD1 ILE 118 2HD1 ILE 118 8.686 -1.798 -3.032 726 3HD1 ILE 118 3HD1 ILE 118 7.284 -2.897 -2.971 727 H SER 119 H SER 119 12.929 -2.385 -4.531 728 HA SER 119 HA SER 119 12.980 -1.245 -1.971 729 1HB SER 119 1HB SER 119 15.470 -1.521 -3.676 730 2HB SER 119 2HB SER 119 15.284 -1.808 -1.942 731 HG SER 119 HG SER 119 15.394 -3.782 -3.032 732 H ALA 120 H ALA 120 13.792 0.148 -5.073 733 HA ALA 120 HA ALA 120 14.941 2.614 -4.029 734 1HB ALA 120 1HB ALA 120 15.538 1.777 -6.272 735 2HB ALA 120 2HB ALA 120 13.859 1.981 -6.802 736 3HB ALA 120 3HB ALA 120 14.824 3.399 -6.355 737 H TYR 121 H TYR 121 11.655 1.653 -5.286 738 HA TYR 121 HA TYR 121 10.535 4.249 -4.952 739 1HB TYR 121 1HB TYR 121 9.244 1.502 -4.797 740 2HB TYR 121 2HB TYR 121 8.399 3.028 -4.872 741 HD1 TYR 121 HD1 TYR 121 9.396 4.591 -7.048 742 HD2 TYR 121 HD2 TYR 121 8.961 0.317 -6.744 743 HE1 TYR 121 HE1 TYR 121 9.160 4.430 -9.514 744 HE2 TYR 121 HE2 TYR 121 8.809 0.143 -9.180 745 HH TYR 121 HH TYR 121 8.782 2.970 -11.377 746 H ALA 122 H ALA 122 10.763 1.417 -2.707 747 HA ALA 122 HA ALA 122 9.325 2.627 -0.565 748 1HB ALA 122 1HB ALA 122 9.877 0.209 -0.681 749 2HB ALA 122 2HB ALA 122 11.596 0.587 -0.442 750 3HB ALA 122 3HB ALA 122 10.419 0.929 0.848 751 H ASP 123 H ASP 123 12.770 2.828 -1.432 752 HA ASP 123 HA ASP 123 13.704 4.340 0.773 753 1HB ASP 123 1HB ASP 123 14.781 3.321 -1.539 754 2HB ASP 123 2HB ASP 123 14.755 5.019 -1.955 755 H ILE 124 H ILE 124 12.323 5.348 -2.353 756 HA ILE 124 HA ILE 124 12.379 8.150 -1.904 757 HB ILE 124 HB ILE 124 10.884 6.310 -3.790 758 1HG1 ILE 124 1HG1 ILE 124 13.032 8.442 -4.198 759 2HG1 ILE 124 2HG1 ILE 124 13.366 6.729 -3.986 760 1HG2 ILE 124 1HG2 ILE 124 9.371 8.254 -3.409 761 2HG2 ILE 124 2HG2 ILE 124 10.711 9.325 -3.865 762 3HG2 ILE 124 3HG2 ILE 124 10.015 8.206 -5.046 763 1HD1 ILE 124 1HD1 ILE 124 11.963 6.264 -6.044 764 2HD1 ILE 124 2HD1 ILE 124 11.946 8.033 -6.309 765 3HD1 ILE 124 3HD1 ILE 124 13.478 7.147 -6.309 766 H VAL 125 H VAL 125 9.723 5.756 -1.242 767 HA VAL 125 HA VAL 125 7.894 7.691 -0.208 768 HB VAL 125 HB VAL 125 8.252 4.758 0.530 769 1HG1 VAL 125 1HG1 VAL 125 5.880 6.627 1.046 770 2HG1 VAL 125 2HG1 VAL 125 5.878 4.871 1.312 771 3HG1 VAL 125 3HG1 VAL 125 6.922 5.906 2.284 772 1HG2 VAL 125 1HG2 VAL 125 6.312 6.128 -1.399 773 2HG2 VAL 125 2HG2 VAL 125 7.668 5.112 -1.877 774 3HG2 VAL 125 3HG2 VAL 125 6.327 4.395 -0.996 775 H ARG 126 H ARG 126 10.477 5.765 1.468 776 HA ARG 126 HA ARG 126 9.926 6.946 3.978 777 1HB ARG 126 1HB ARG 126 11.366 4.914 3.617 778 2HB ARG 126 2HB ARG 126 12.661 5.968 3.063 779 1HG ARG 126 1HG ARG 126 12.889 5.258 5.428 780 2HG ARG 126 2HG ARG 126 12.838 7.012 5.256 781 1HD ARG 126 1HD ARG 126 10.587 7.130 6.121 782 2HD ARG 126 2HD ARG 126 10.369 5.378 5.960 783 HE ARG 126 HE ARG 126 12.526 6.266 7.735 784 1HH1 ARG 126 1HH1 ARG 126 8.991 5.363 7.762 785 2HH1 ARG 126 2HH1 ARG 126 9.196 4.569 9.282 786 1HH2 ARG 126 1HH2 ARG 126 12.637 5.061 9.647 787 2HH2 ARG 126 2HH2 ARG 126 11.157 4.483 10.376 788 H GLU 127 H GLU 127 11.985 8.209 1.329 789 HA GLU 127 HA GLU 127 13.112 10.391 2.778 790 1HB GLU 127 1HB GLU 127 13.566 9.535 0.365 791 2HB GLU 127 2HB GLU 127 12.200 10.476 -0.124 792 1HG GLU 127 1HG GLU 127 14.139 11.780 -0.562 793 2HG GLU 127 2HG GLU 127 13.230 12.550 0.708 794 H ARG 128 H ARG 128 10.080 10.027 1.057 795 HA ARG 128 HA ARG 128 9.106 12.749 1.546 796 1HB ARG 128 1HB ARG 128 7.389 10.254 1.140 797 2HB ARG 128 2HB ARG 128 6.851 11.919 1.037 798 1HG ARG 128 1HG ARG 128 8.746 10.514 -0.887 799 2HG ARG 128 2HG ARG 128 7.091 10.974 -1.162 800 1HD ARG 128 1HD ARG 128 8.136 12.707 -2.232 801 2HD ARG 128 2HD ARG 128 7.949 13.419 -0.638 802 HE ARG 128 HE ARG 128 10.257 13.317 -0.329 803 1HH1 ARG 128 1HH1 ARG 128 9.507 11.341 -3.196 804 2HH1 ARG 128 2HH1 ARG 128 11.104 11.466 -3.845 805 1HH2 ARG 128 1HH2 ARG 128 12.343 13.356 -1.097 806 2HH2 ARG 128 2HH2 ARG 128 12.822 12.509 -2.534 807 H ALA 129 H ALA 129 8.628 9.677 3.358 808 HA ALA 129 HA ALA 129 7.043 10.864 5.411 809 1HB ALA 129 1HB ALA 129 7.138 8.467 4.963 810 2HB ALA 129 2HB ALA 129 8.818 8.403 5.543 811 3HB ALA 129 3HB ALA 129 7.511 8.842 6.661 812 H VAL 130 H VAL 130 10.589 10.496 5.072 813 HA VAL 130 HA VAL 130 11.344 11.534 7.573 814 HB VAL 130 HB VAL 130 12.617 11.406 4.839 815 1HG1 VAL 130 1HG1 VAL 130 13.806 12.813 7.241 816 2HG1 VAL 130 2HG1 VAL 130 14.739 12.277 5.833 817 3HG1 VAL 130 3HG1 VAL 130 13.500 13.519 5.636 818 1HG2 VAL 130 1HG2 VAL 130 12.489 9.406 6.378 819 2HG2 VAL 130 2HG2 VAL 130 14.143 9.891 5.984 820 3HG2 VAL 130 3HG2 VAL 130 13.442 10.318 7.564 821 H VAL 131 H VAL 131 10.578 13.313 4.545 822 HA VAL 131 HA VAL 131 10.738 15.901 5.857 823 HB VAL 131 HB VAL 131 9.406 14.932 3.307 824 1HG1 VAL 131 1HG1 VAL 131 9.749 17.818 4.231 825 2HG1 VAL 131 2HG1 VAL 131 9.351 17.327 2.563 826 3HG1 VAL 131 3HG1 VAL 131 8.216 16.996 3.866 827 1HG2 VAL 131 1HG2 VAL 131 11.936 16.500 3.972 828 2HG2 VAL 131 2HG2 VAL 131 11.880 14.853 3.332 829 3HG2 VAL 131 3HG2 VAL 131 11.366 16.232 2.327 830 H ARG 132 H ARG 132 8.237 13.473 5.778 831 HA ARG 132 HA ARG 132 6.166 15.232 6.739 832 1HB ARG 132 1HB ARG 132 5.757 13.002 5.622 833 2HB ARG 132 2HB ARG 132 6.227 12.207 7.127 834 1HG ARG 132 1HG ARG 132 4.134 14.364 7.208 835 2HG ARG 132 2HG ARG 132 3.688 12.794 6.543 836 1HD ARG 132 1HD ARG 132 3.809 11.704 8.516 837 2HD ARG 132 2HD ARG 132 5.117 12.703 9.172 838 HE ARG 132 HE ARG 132 3.014 14.436 8.997 839 1HH1 ARG 132 1HH1 ARG 132 3.263 11.235 10.575 840 2HH1 ARG 132 2HH1 ARG 132 2.129 11.649 11.816 841 1HH2 ARG 132 1HH2 ARG 132 1.659 14.992 10.709 842 2HH2 ARG 132 2HH2 ARG 132 1.331 13.869 11.982 843 H GLU 133 H GLU 133 8.458 13.218 8.463 844 HA GLU 133 HA GLU 133 7.408 14.278 11.017 845 1HB GLU 133 1HB GLU 133 8.894 12.890 12.170 846 2HB GLU 133 2HB GLU 133 8.163 11.945 10.871 847 1HG GLU 133 1HG GLU 133 10.290 12.348 9.535 848 2HG GLU 133 2HG GLU 133 10.993 13.059 10.998 849 H MET 134 H MET 134 10.397 14.608 9.121 850 HA MET 134 HA MET 134 11.454 16.798 10.727 851 1HB MET 134 1HB MET 134 12.463 15.770 8.047 852 2HB MET 134 2HB MET 134 13.297 16.793 9.195 853 1HG MET 134 1HG MET 134 13.186 14.872 10.866 854 2HG MET 134 2HG MET 134 12.557 13.875 9.551 855 1HE MET 134 1HE MET 134 14.141 12.098 9.594 856 2HE MET 134 2HE MET 134 15.901 12.198 9.407 857 3HE MET 134 3HE MET 134 15.153 12.694 10.933 858 H ILE 135 H ILE 135 8.863 17.377 9.807 859 HA ILE 135 HA ILE 135 8.768 19.152 7.603 860 HB ILE 135 HB ILE 135 7.036 20.351 9.176 861 1HG1 ILE 135 1HG1 ILE 135 6.968 17.687 10.619 862 2HG1 ILE 135 2HG1 ILE 135 7.991 18.988 11.234 863 1HG2 ILE 135 1HG2 ILE 135 6.486 19.023 7.220 864 2HG2 ILE 135 2HG2 ILE 135 6.648 17.531 8.142 865 3HG2 ILE 135 3HG2 ILE 135 5.344 18.669 8.530 866 1HD1 ILE 135 1HD1 ILE 135 6.029 20.501 11.307 867 2HD1 ILE 135 2HD1 ILE 135 4.993 19.109 10.882 868 3HD1 ILE 135 3HD1 ILE 135 5.926 19.104 12.390 869 H SER 136 H SER 136 10.468 20.501 7.308 870 HA SER 136 HA SER 136 10.516 22.864 8.972 871 1HB SER 136 1HB SER 136 13.119 22.904 8.733 872 2HB SER 136 2HB SER 136 12.345 22.104 10.098 873 HG SER 136 HG SER 136 13.118 20.267 9.509 Start of MODEL 18 1 1H MET 23 1H MET 23 6.014 29.034 -4.020 2 2H MET 23 2H MET 23 7.338 29.014 -5.010 3 3H MET 23 3H MET 23 5.869 29.391 -5.627 4 HA MET 23 HA MET 23 5.043 27.229 -5.329 5 1HB MET 23 1HB MET 23 6.388 27.579 -7.378 6 2HB MET 23 2HB MET 23 7.855 27.150 -6.488 7 1HG MET 23 1HG MET 23 7.139 25.263 -7.799 8 2HG MET 23 2HG MET 23 7.008 24.892 -6.092 9 1HE MET 23 1HE MET 23 5.415 25.055 -9.467 10 2HE MET 23 2HE MET 23 3.665 25.140 -9.201 11 3HE MET 23 3HE MET 23 4.676 26.568 -8.908 12 H LYS 24 H LYS 24 4.747 25.976 -3.583 13 HA LYS 24 HA LYS 24 7.010 24.386 -2.693 14 1HB LYS 24 1HB LYS 24 7.124 26.247 -1.126 15 2HB LYS 24 2HB LYS 24 5.395 26.132 -0.779 16 1HG LYS 24 1HG LYS 24 6.856 25.202 0.966 17 2HG LYS 24 2HG LYS 24 5.684 24.025 0.355 18 1HD LYS 24 1HD LYS 24 7.349 22.721 -0.704 19 2HD LYS 24 2HD LYS 24 8.435 24.101 -0.859 20 1HE LYS 24 1HE LYS 24 9.381 22.686 0.809 21 2HE LYS 24 2HE LYS 24 8.738 24.114 1.629 22 1HZ LYS 24 1HZ LYS 24 6.734 22.703 2.156 23 2HZ LYS 24 2HZ LYS 24 7.576 21.409 1.545 24 3HZ LYS 24 3HZ LYS 24 8.159 22.209 2.831 25 H VAL 25 H VAL 25 6.296 22.318 -2.501 26 HA VAL 25 HA VAL 25 3.491 21.685 -1.880 27 HB VAL 25 HB VAL 25 5.061 20.634 -4.265 28 1HG1 VAL 25 1HG1 VAL 25 3.321 19.049 -3.467 29 2HG1 VAL 25 2HG1 VAL 25 2.101 20.330 -3.596 30 3HG1 VAL 25 3HG1 VAL 25 2.888 19.691 -5.047 31 1HG2 VAL 25 1HG2 VAL 25 2.820 22.699 -4.355 32 2HG2 VAL 25 2HG2 VAL 25 4.509 22.913 -4.894 33 3HG2 VAL 25 3HG2 VAL 25 3.448 21.828 -5.765 34 HA PRO 26 HA PRO 26 6.056 18.503 0.148 35 1HB PRO 26 1HB PRO 26 4.317 16.329 0.241 36 2HB PRO 26 2HB PRO 26 4.289 17.691 1.397 37 1HG PRO 26 1HG PRO 26 2.582 17.312 -1.073 38 2HG PRO 26 2HG PRO 26 2.081 17.822 0.567 39 1HD PRO 26 1HD PRO 26 2.460 19.641 -1.391 40 2HD PRO 26 2HD PRO 26 2.981 19.988 0.279 41 HA PRO 27 HA PRO 27 7.445 16.387 -3.569 42 1HB PRO 27 1HB PRO 27 9.387 14.742 -2.600 43 2HB PRO 27 2HB PRO 27 9.510 16.515 -2.519 44 1HG PRO 27 1HG PRO 27 8.489 14.650 -0.342 45 2HG PRO 27 2HG PRO 27 9.791 15.879 -0.220 46 1HD PRO 27 1HD PRO 27 7.220 16.422 0.510 47 2HD PRO 27 2HD PRO 27 8.230 17.652 -0.311 48 H HIS 28 H HIS 28 4.976 15.327 -2.266 49 HA HIS 28 HA HIS 28 4.996 12.565 -1.847 50 1HB HIS 28 1HB HIS 28 2.608 12.693 -2.008 51 2HB HIS 28 2HB HIS 28 3.179 14.128 -1.168 52 HD1 HIS 28 HD1 HIS 28 3.428 16.395 -3.121 53 HD2 HIS 28 HD2 HIS 28 0.883 13.100 -3.871 54 HE1 HIS 28 HE1 HIS 28 1.820 17.126 -4.926 55 H SER 29 H SER 29 4.900 10.817 -3.158 56 HA SER 29 HA SER 29 4.634 11.198 -6.107 57 1HB SER 29 1HB SER 29 6.803 9.654 -4.657 58 2HB SER 29 2HB SER 29 6.474 9.568 -6.401 59 HG SER 29 HG SER 29 6.962 11.742 -6.598 60 H ILE 30 H ILE 30 2.500 10.572 -5.821 61 HA ILE 30 HA ILE 30 1.542 8.345 -4.409 62 HB ILE 30 HB ILE 30 0.560 10.315 -6.288 63 1HG1 ILE 30 1HG1 ILE 30 -0.709 8.376 -4.356 64 2HG1 ILE 30 2HG1 ILE 30 -0.227 10.053 -4.078 65 1HG2 ILE 30 1HG2 ILE 30 -0.524 7.571 -7.020 66 2HG2 ILE 30 2HG2 ILE 30 -1.156 9.139 -7.560 67 3HG2 ILE 30 3HG2 ILE 30 0.431 8.654 -8.064 68 1HD1 ILE 30 1HD1 ILE 30 -1.961 10.665 -5.873 69 2HD1 ILE 30 2HD1 ILE 30 -2.546 8.983 -5.695 70 3HD1 ILE 30 3HD1 ILE 30 -2.562 10.085 -4.308 71 H GLU 31 H GLU 31 2.825 8.475 -7.779 72 HA GLU 31 HA GLU 31 2.293 5.678 -8.183 73 1HB GLU 31 1HB GLU 31 3.836 7.782 -9.658 74 2HB GLU 31 2HB GLU 31 3.816 6.085 -10.157 75 1HG GLU 31 1HG GLU 31 1.604 6.234 -10.887 76 2HG GLU 31 2HG GLU 31 1.083 7.000 -9.422 77 H ALA 32 H ALA 32 5.057 7.314 -6.868 78 HA ALA 32 HA ALA 32 6.758 4.972 -6.731 79 1HB ALA 32 1HB ALA 32 7.662 7.245 -6.312 80 2HB ALA 32 2HB ALA 32 6.717 7.327 -4.797 81 3HB ALA 32 3HB ALA 32 7.992 6.126 -4.973 82 H GLU 33 H GLU 33 4.322 6.363 -4.484 83 HA GLU 33 HA GLU 33 4.389 4.309 -2.513 84 1HB GLU 33 1HB GLU 33 2.246 6.259 -3.426 85 2HB GLU 33 2HB GLU 33 1.904 5.052 -2.229 86 1HG GLU 33 1HG GLU 33 3.707 5.988 -0.795 87 2HG GLU 33 2HG GLU 33 4.076 7.171 -2.050 88 H GLN 34 H GLN 34 2.444 4.543 -5.543 89 HA GLN 34 HA GLN 34 1.074 2.101 -5.305 90 1HB GLN 34 1HB GLN 34 2.143 3.285 -7.911 91 2HB GLN 34 2HB GLN 34 0.984 1.978 -7.758 92 1HG GLN 34 1HG GLN 34 -0.540 3.588 -6.537 93 2HG GLN 34 2HG GLN 34 0.545 4.879 -7.011 94 1HE2 GLN 34 2HE2 GLN 34 -2.199 4.755 -7.834 95 2HE2 GLN 34 1HE2 GLN 34 -2.195 4.544 -9.571 96 H SER 35 H SER 35 4.293 2.807 -6.668 97 HA SER 35 HA SER 35 4.851 0.345 -7.862 98 1HB SER 35 1HB SER 35 6.813 2.314 -6.597 99 2HB SER 35 2HB SER 35 7.221 1.060 -7.758 100 HG SER 35 HG SER 35 5.393 3.213 -8.224 101 H VAL 36 H VAL 36 5.237 1.307 -4.455 102 HA VAL 36 HA VAL 36 6.679 -1.117 -3.734 103 HB VAL 36 HB VAL 36 5.192 0.914 -1.984 104 1HG1 VAL 36 1HG1 VAL 36 7.264 -1.223 -1.370 105 2HG1 VAL 36 2HG1 VAL 36 6.721 0.007 -0.208 106 3HG1 VAL 36 3HG1 VAL 36 5.578 -1.203 -0.804 107 1HG2 VAL 36 1HG2 VAL 36 8.145 0.744 -2.737 108 2HG2 VAL 36 2HG2 VAL 36 7.001 2.021 -3.228 109 3HG2 VAL 36 3HG2 VAL 36 7.444 1.854 -1.541 110 H LEU 37 H LEU 37 3.303 0.054 -3.320 111 HA LEU 37 HA LEU 37 2.426 -2.285 -1.895 112 1HB LEU 37 1HB LEU 37 0.924 -0.151 -3.464 113 2HB LEU 37 2HB LEU 37 0.161 -1.342 -2.421 114 HG LEU 37 HG LEU 37 2.238 0.686 -1.476 115 1HD1 LEU 37 1HD1 LEU 37 -0.784 0.742 -1.270 116 2HD1 LEU 37 2HD1 LEU 37 0.335 1.838 -0.432 117 3HD1 LEU 37 3HD1 LEU 37 0.251 1.846 -2.207 118 1HD2 LEU 37 1HD2 LEU 37 0.427 -1.160 0.124 119 2HD2 LEU 37 2HD2 LEU 37 2.199 -1.235 0.028 120 3HD2 LEU 37 3HD2 LEU 37 1.419 0.141 0.802 121 H GLY 38 H GLY 38 2.353 -1.473 -5.344 122 1HA GLY 38 1HA GLY 38 1.047 -3.925 -6.183 123 2HA GLY 38 2HA GLY 38 2.028 -2.839 -7.181 124 H GLY 39 H GLY 39 4.471 -2.911 -5.642 125 1HA GLY 39 1HA GLY 39 5.810 -5.180 -6.607 126 2HA GLY 39 2HA GLY 39 6.351 -4.081 -5.341 127 H LEU 40 H LEU 40 4.315 -4.614 -3.414 128 HA LEU 40 HA LEU 40 5.282 -6.978 -2.160 129 1HB LEU 40 1HB LEU 40 2.769 -5.308 -1.724 130 2HB LEU 40 2HB LEU 40 3.236 -6.618 -0.645 131 HG LEU 40 HG LEU 40 5.014 -4.203 -1.226 132 1HD1 LEU 40 1HD1 LEU 40 2.916 -3.553 -0.064 133 2HD1 LEU 40 2HD1 LEU 40 3.276 -4.737 1.202 134 3HD1 LEU 40 3HD1 LEU 40 4.348 -3.355 0.954 135 1HD2 LEU 40 1HD2 LEU 40 5.168 -6.478 0.776 136 2HD2 LEU 40 2HD2 LEU 40 6.332 -6.083 -0.502 137 3HD2 LEU 40 3HD2 LEU 40 6.152 -4.996 0.871 138 H MET 41 H MET 41 2.532 -6.548 -4.325 139 HA MET 41 HA MET 41 1.350 -9.205 -3.874 140 1HB MET 41 1HB MET 41 1.090 -7.161 -6.104 141 2HB MET 41 2HB MET 41 0.067 -8.565 -5.928 142 1HG MET 41 1HG MET 41 -1.046 -7.659 -4.061 143 2HG MET 41 2HG MET 41 0.241 -6.489 -3.722 144 1HE MET 41 1HE MET 41 -2.957 -6.044 -4.002 145 2HE MET 41 2HE MET 41 -1.876 -4.737 -3.466 146 3HE MET 41 3HE MET 41 -3.021 -4.451 -4.808 147 H LEU 42 H LEU 42 3.878 -7.741 -5.856 148 HA LEU 42 HA LEU 42 4.077 -9.899 -7.789 149 1HB LEU 42 1HB LEU 42 4.676 -7.349 -7.959 150 2HB LEU 42 2HB LEU 42 6.250 -7.858 -7.360 151 HG LEU 42 HG LEU 42 4.874 -9.185 -9.760 152 1HD1 LEU 42 1HD1 LEU 42 6.740 -6.791 -9.754 153 2HD1 LEU 42 2HD1 LEU 42 6.197 -7.694 -11.203 154 3HD1 LEU 42 3HD1 LEU 42 5.021 -6.812 -10.230 155 1HD2 LEU 42 1HD2 LEU 42 7.775 -9.035 -8.806 156 2HD2 LEU 42 2HD2 LEU 42 6.756 -10.479 -8.982 157 3HD2 LEU 42 3HD2 LEU 42 7.296 -9.614 -10.412 158 H ASP 43 H ASP 43 5.875 -8.791 -4.966 159 HA ASP 43 HA ASP 43 7.329 -11.391 -4.710 160 1HB ASP 43 1HB ASP 43 8.606 -9.817 -6.075 161 2HB ASP 43 2HB ASP 43 8.603 -8.628 -4.764 162 H ASN 44 H ASN 44 6.168 -11.919 -3.073 163 HA ASN 44 HA ASN 44 5.229 -10.248 -0.989 164 1HB ASN 44 1HB ASN 44 5.753 -13.243 -0.844 165 2HB ASN 44 2HB ASN 44 4.857 -12.331 0.356 166 1HD2 ASN 44 2HD2 ASN 44 3.497 -10.667 -2.054 167 2HD2 ASN 44 1HD2 ASN 44 2.286 -11.835 -2.521 168 H GLU 45 H GLU 45 8.398 -11.772 -1.262 169 HA GLU 45 HA GLU 45 8.969 -11.741 1.580 170 1HB GLU 45 1HB GLU 45 11.234 -12.204 1.032 171 2HB GLU 45 2HB GLU 45 10.240 -13.084 -0.126 172 1HG GLU 45 1HG GLU 45 10.669 -11.297 -1.809 173 2HG GLU 45 2HG GLU 45 11.676 -10.442 -0.646 174 H ARG 46 H ARG 46 8.780 -9.256 -0.756 175 HA ARG 46 HA ARG 46 10.563 -7.386 0.549 176 1HB ARG 46 1HB ARG 46 8.292 -6.887 -1.431 177 2HB ARG 46 2HB ARG 46 9.622 -5.790 -1.049 178 1HG ARG 46 1HG ARG 46 9.935 -8.538 -2.360 179 2HG ARG 46 2HG ARG 46 9.942 -7.008 -3.217 180 1HD ARG 46 1HD ARG 46 11.878 -6.283 -1.797 181 2HD ARG 46 2HD ARG 46 11.916 -7.911 -1.078 182 HE ARG 46 HE ARG 46 12.024 -8.492 -3.697 183 1HH1 ARG 46 1HH1 ARG 46 13.906 -6.437 -1.489 184 2HH1 ARG 46 2HH1 ARG 46 15.411 -6.641 -2.309 185 1HH2 ARG 46 1HH2 ARG 46 13.985 -8.572 -4.964 186 2HH2 ARG 46 2HH2 ARG 46 15.384 -7.637 -4.499 187 H TRP 47 H TRP 47 7.511 -8.614 1.512 188 HA TRP 47 HA TRP 47 6.342 -6.312 2.705 189 1HB TRP 47 1HB TRP 47 5.242 -8.489 2.778 190 2HB TRP 47 2HB TRP 47 6.556 -9.167 3.747 191 HD1 TRP 47 HD1 TRP 47 6.555 -8.676 6.306 192 HE1 TRP 47 HE1 TRP 47 4.758 -7.680 7.894 193 HE3 TRP 47 HE3 TRP 47 3.816 -6.104 2.895 194 HZ2 TRP 47 HZ2 TRP 47 3.328 -5.071 7.736 195 HZ3 TRP 47 HZ3 TRP 47 2.476 -4.140 3.610 196 HH2 TRP 47 HH2 TRP 47 2.252 -3.596 6.013 197 H ASP 48 H ASP 48 8.950 -8.487 3.882 198 HA ASP 48 HA ASP 48 9.268 -6.983 6.297 199 1HB ASP 48 1HB ASP 48 10.678 -9.193 4.882 200 2HB ASP 48 2HB ASP 48 11.744 -8.194 5.845 201 H ASP 49 H ASP 49 10.336 -6.360 3.143 202 HA ASP 49 HA ASP 49 12.679 -4.720 3.936 203 1HB ASP 49 1HB ASP 49 11.245 -5.022 1.232 204 2HB ASP 49 2HB ASP 49 12.577 -3.917 1.511 205 H VAL 50 H VAL 50 9.465 -4.303 2.588 206 HA VAL 50 HA VAL 50 9.404 -1.475 2.688 207 HB VAL 50 HB VAL 50 7.360 -3.711 2.495 208 1HG1 VAL 50 1HG1 VAL 50 6.981 -0.679 2.167 209 2HG1 VAL 50 2HG1 VAL 50 5.838 -1.868 1.523 210 3HG1 VAL 50 3HG1 VAL 50 6.102 -1.773 3.258 211 1HG2 VAL 50 1HG2 VAL 50 8.986 -3.497 0.595 212 2HG2 VAL 50 2HG2 VAL 50 7.350 -3.089 0.092 213 3HG2 VAL 50 3HG2 VAL 50 8.541 -1.805 0.421 214 H ALA 51 H ALA 51 8.172 -3.976 5.039 215 HA ALA 51 HA ALA 51 7.221 -2.066 6.928 216 1HB ALA 51 1HB ALA 51 6.564 -4.445 6.949 217 2HB ALA 51 2HB ALA 51 8.250 -4.905 7.305 218 3HB ALA 51 3HB ALA 51 7.307 -3.995 8.499 219 H GLU 52 H GLU 52 10.491 -3.075 6.158 220 HA GLU 52 HA GLU 52 11.575 -2.001 8.586 221 1HB GLU 52 1HB GLU 52 12.709 -3.584 6.314 222 2HB GLU 52 2HB GLU 52 13.802 -2.627 7.262 223 1HG GLU 52 1HG GLU 52 11.900 -4.260 8.908 224 2HG GLU 52 2HG GLU 52 13.084 -5.166 7.975 225 H ARG 53 H ARG 53 10.400 -0.691 5.819 226 HA ARG 53 HA ARG 53 12.248 1.659 6.037 227 1HB ARG 53 1HB ARG 53 10.475 0.756 3.735 228 2HB ARG 53 2HB ARG 53 11.312 2.300 3.796 229 1HG ARG 53 1HG ARG 53 12.693 -0.421 3.740 230 2HG ARG 53 2HG ARG 53 12.456 0.667 2.383 231 1HD ARG 53 1HD ARG 53 14.556 1.195 2.932 232 2HD ARG 53 2HD ARG 53 13.715 2.435 3.866 233 HE ARG 53 HE ARG 53 13.981 0.375 5.663 234 1HH1 ARG 53 1HH1 ARG 53 16.300 2.186 3.615 235 2HH1 ARG 53 2HH1 ARG 53 17.677 1.674 4.559 236 1HH2 ARG 53 1HH2 ARG 53 15.884 -0.189 6.934 237 2HH2 ARG 53 2HH2 ARG 53 17.439 0.390 6.389 238 H VAL 54 H VAL 54 8.815 0.599 5.918 239 HA VAL 54 HA VAL 54 8.114 3.283 6.982 240 HB VAL 54 HB VAL 54 6.302 3.197 5.252 241 1HG1 VAL 54 1HG1 VAL 54 8.330 4.602 4.933 242 2HG1 VAL 54 2HG1 VAL 54 9.017 3.300 3.935 243 3HG1 VAL 54 3HG1 VAL 54 7.529 4.118 3.432 244 1HG2 VAL 54 1HG2 VAL 54 6.508 0.736 4.730 245 2HG2 VAL 54 2HG2 VAL 54 6.256 1.838 3.389 246 3HG2 VAL 54 3HG2 VAL 54 7.879 1.182 3.688 247 H VAL 55 H VAL 55 5.723 3.426 7.249 248 HA VAL 55 HA VAL 55 4.299 1.014 8.143 249 HB VAL 55 HB VAL 55 3.189 2.533 9.861 250 1HG1 VAL 55 1HG1 VAL 55 4.712 0.713 10.475 251 2HG1 VAL 55 2HG1 VAL 55 6.099 1.818 10.344 252 3HG1 VAL 55 3HG1 VAL 55 4.841 2.089 11.578 253 1HG2 VAL 55 1HG2 VAL 55 4.145 4.711 8.990 254 2HG2 VAL 55 2HG2 VAL 55 4.338 4.449 10.725 255 3HG2 VAL 55 3HG2 VAL 55 5.721 4.217 9.636 256 H ALA 56 H ALA 56 1.801 1.690 8.105 257 HA ALA 56 HA ALA 56 1.178 2.680 5.526 258 1HB ALA 56 1HB ALA 56 -0.570 2.658 8.018 259 2HB ALA 56 2HB ALA 56 -1.136 2.896 6.358 260 3HB ALA 56 3HB ALA 56 -0.411 1.352 6.808 261 H ASP 57 H ASP 57 1.568 4.402 8.600 262 HA ASP 57 HA ASP 57 0.344 6.851 7.784 263 1HB ASP 57 1HB ASP 57 2.207 6.036 10.031 264 2HB ASP 57 2HB ASP 57 1.827 7.732 9.762 265 H ASP 58 H ASP 58 3.319 5.525 6.716 266 HA ASP 58 HA ASP 58 4.603 8.111 6.184 267 1HB ASP 58 1HB ASP 58 5.318 5.213 5.634 268 2HB ASP 58 2HB ASP 58 6.270 6.557 5.082 269 H PHE 59 H PHE 59 2.360 5.913 4.624 270 HA PHE 59 HA PHE 59 2.837 6.968 1.916 271 1HB PHE 59 1HB PHE 59 0.670 5.168 3.084 272 2HB PHE 59 2HB PHE 59 0.764 5.675 1.418 273 HD1 PHE 59 HD1 PHE 59 2.566 3.749 4.066 274 HD2 PHE 59 HD2 PHE 59 2.047 4.403 -0.147 275 HE1 PHE 59 HE1 PHE 59 3.904 1.736 3.605 276 HE2 PHE 59 HE2 PHE 59 3.446 2.414 -0.634 277 HZ PHE 59 HZ PHE 59 4.340 1.033 1.238 278 H TYR 60 H TYR 60 1.574 8.682 1.104 279 HA TYR 60 HA TYR 60 0.236 10.332 3.114 280 1HB TYR 60 1HB TYR 60 1.622 11.360 1.358 281 2HB TYR 60 2HB TYR 60 0.587 10.676 0.099 282 HD1 TYR 60 HD1 TYR 60 0.419 12.718 3.214 283 HD2 TYR 60 HD2 TYR 60 -1.339 11.959 -0.649 284 HE1 TYR 60 HE1 TYR 60 -1.276 14.434 3.667 285 HE2 TYR 60 HE2 TYR 60 -3.016 13.715 -0.235 286 HH TYR 60 HH TYR 60 -3.133 15.499 2.918 287 H THR 61 H THR 61 -0.629 8.608 0.178 288 HA THR 61 HA THR 61 -3.282 9.412 -0.089 289 HB THR 61 HB THR 61 -2.237 7.046 -1.278 290 HG1 THR 61 HG1 THR 61 -0.391 8.171 -1.590 291 1HG2 THR 61 1HG2 THR 61 -4.393 7.848 -2.051 292 2HG2 THR 61 2HG2 THR 61 -3.687 9.428 -2.421 293 3HG2 THR 61 3HG2 THR 61 -3.197 7.980 -3.337 294 H ARG 62 H ARG 62 -5.130 8.681 0.899 295 HA ARG 62 HA ARG 62 -5.066 6.824 3.052 296 1HB ARG 62 1HB ARG 62 -7.459 7.828 1.442 297 2HB ARG 62 2HB ARG 62 -7.548 6.811 2.874 298 1HG ARG 62 1HG ARG 62 -7.932 8.910 3.726 299 2HG ARG 62 2HG ARG 62 -6.236 8.613 4.117 300 1HD ARG 62 1HD ARG 62 -5.531 10.040 2.235 301 2HD ARG 62 2HD ARG 62 -7.217 10.226 1.732 302 HE ARG 62 HE ARG 62 -7.660 11.362 3.868 303 1HH1 ARG 62 1HH1 ARG 62 -4.164 11.250 2.929 304 2HH1 ARG 62 2HH1 ARG 62 -3.804 12.557 4.010 305 1HH2 ARG 62 1HH2 ARG 62 -7.114 13.206 4.988 306 2HH2 ARG 62 2HH2 ARG 62 -5.474 13.748 5.080 307 HA PRO 63 HA PRO 63 -6.828 3.390 0.294 308 1HB PRO 63 1HB PRO 63 -6.557 3.428 -2.403 309 2HB PRO 63 2HB PRO 63 -7.941 4.182 -1.561 310 1HG PRO 63 1HG PRO 63 -5.425 5.606 -2.461 311 2HG PRO 63 2HG PRO 63 -7.133 6.023 -2.838 312 1HD PRO 63 1HD PRO 63 -5.951 7.216 -0.774 313 2HD PRO 63 2HD PRO 63 -7.588 6.566 -0.549 314 H HIS 64 H HIS 64 -3.746 5.027 -0.447 315 HA HIS 64 HA HIS 64 -2.348 2.516 -0.976 316 1HB HIS 64 1HB HIS 64 -1.285 5.293 -0.304 317 2HB HIS 64 2HB HIS 64 -0.307 3.922 -0.704 318 HD1 HIS 64 HD1 HIS 64 0.077 6.315 -2.513 319 HD2 HIS 64 HD2 HIS 64 -2.790 3.297 -3.187 320 HE1 HIS 64 HE1 HIS 64 -0.434 6.290 -5.088 321 H ARG 65 H ARG 65 -2.828 4.729 1.827 322 HA ARG 65 HA ARG 65 -1.230 3.381 3.730 323 1HB ARG 65 1HB ARG 65 -3.898 4.792 4.246 324 2HB ARG 65 2HB ARG 65 -2.722 4.312 5.448 325 1HG ARG 65 1HG ARG 65 -1.081 5.864 4.160 326 2HG ARG 65 2HG ARG 65 -2.510 6.543 3.417 327 1HD ARG 65 1HD ARG 65 -1.964 6.425 6.402 328 2HD ARG 65 2HD ARG 65 -1.723 7.821 5.374 329 HE ARG 65 HE ARG 65 -3.986 8.213 5.214 330 1HH1 ARG 65 1HH1 ARG 65 -3.434 5.406 7.364 331 2HH1 ARG 65 2HH1 ARG 65 -5.110 5.252 7.769 332 1HH2 ARG 65 1HH2 ARG 65 -6.138 8.174 6.138 333 2HH2 ARG 65 2HH2 ARG 65 -6.594 6.792 7.089 334 H HIS 66 H HIS 66 -4.671 2.930 2.953 335 HA HIS 66 HA HIS 66 -5.453 0.915 4.619 336 1HB HIS 66 1HB HIS 66 -5.993 1.532 1.691 337 2HB HIS 66 2HB HIS 66 -6.631 0.043 2.354 338 HD1 HIS 66 HD1 HIS 66 -8.263 2.958 1.487 339 HD2 HIS 66 HD2 HIS 66 -7.785 0.673 4.965 340 HE1 HIS 66 HE1 HIS 66 -10.319 3.368 2.860 341 H ILE 67 H ILE 67 -3.650 0.412 1.567 342 HA ILE 67 HA ILE 67 -3.918 -2.426 1.700 343 HB ILE 67 HB ILE 67 -2.050 -0.620 0.121 344 1HG1 ILE 67 1HG1 ILE 67 -4.543 -2.144 -0.790 345 2HG1 ILE 67 2HG1 ILE 67 -4.628 -0.495 -0.206 346 1HG2 ILE 67 1HG2 ILE 67 -2.597 -3.608 -0.176 347 2HG2 ILE 67 2HG2 ILE 67 -1.714 -2.626 -1.368 348 3HG2 ILE 67 3HG2 ILE 67 -1.055 -2.869 0.246 349 1HD1 ILE 67 1HD1 ILE 67 -3.019 0.228 -1.964 350 2HD1 ILE 67 2HD1 ILE 67 -3.108 -1.413 -2.654 351 3HD1 ILE 67 3HD1 ILE 67 -4.560 -0.397 -2.564 352 H PHE 68 H PHE 68 -1.267 -0.166 2.690 353 HA PHE 68 HA PHE 68 0.461 -2.245 3.621 354 1HB PHE 68 1HB PHE 68 1.166 0.119 3.306 355 2HB PHE 68 2HB PHE 68 0.198 0.588 4.694 356 HD1 PHE 68 HD1 PHE 68 0.758 -0.604 7.003 357 HD2 PHE 68 HD2 PHE 68 3.410 -0.650 3.588 358 HE1 PHE 68 HE1 PHE 68 2.624 -1.283 8.450 359 HE2 PHE 68 HE2 PHE 68 5.295 -1.251 5.120 360 HZ PHE 68 HZ PHE 68 4.902 -1.593 7.500 361 H THR 69 H THR 69 -2.179 -0.372 5.369 362 HA THR 69 HA THR 69 -1.698 -1.664 7.844 363 HB THR 69 HB THR 69 -4.318 -0.548 6.717 364 HG1 THR 69 HG1 THR 69 -2.090 0.668 7.936 365 1HG2 THR 69 1HG2 THR 69 -3.347 -0.769 9.597 366 2HG2 THR 69 2HG2 THR 69 -4.801 0.093 9.066 367 3HG2 THR 69 3HG2 THR 69 -4.706 -1.661 8.867 368 H GLU 70 H GLU 70 -3.586 -2.722 5.033 369 HA GLU 70 HA GLU 70 -4.817 -4.860 6.534 370 1HB GLU 70 1HB GLU 70 -5.720 -3.591 4.406 371 2HB GLU 70 2HB GLU 70 -4.676 -4.689 3.521 372 1HG GLU 70 1HG GLU 70 -6.932 -5.639 3.681 373 2HG GLU 70 2HG GLU 70 -5.843 -6.627 4.633 374 H MET 71 H MET 71 -2.075 -4.604 4.219 375 HA MET 71 HA MET 71 -1.522 -7.424 4.109 376 1HB MET 71 1HB MET 71 0.205 -4.955 3.713 377 2HB MET 71 2HB MET 71 0.790 -6.607 3.469 378 1HG MET 71 1HG MET 71 -0.883 -6.980 1.711 379 2HG MET 71 2HG MET 71 -1.542 -5.370 1.950 380 1HE MET 71 1HE MET 71 -1.142 -5.329 -0.845 381 2HE MET 71 2HE MET 71 0.475 -5.261 -1.557 382 3HE MET 71 3HE MET 71 -0.130 -6.795 -0.895 383 H ALA 72 H ALA 72 -0.361 -4.764 6.260 384 HA ALA 72 HA ALA 72 1.300 -6.340 7.918 385 1HB ALA 72 1HB ALA 72 1.215 -3.823 7.976 386 2HB ALA 72 2HB ALA 72 -0.415 -3.902 8.664 387 3HB ALA 72 3HB ALA 72 0.969 -4.524 9.579 388 H ARG 73 H ARG 73 -2.181 -5.542 8.217 389 HA ARG 73 HA ARG 73 -2.650 -7.065 10.562 390 1HB ARG 73 1HB ARG 73 -4.312 -5.460 9.788 391 2HB ARG 73 2HB ARG 73 -4.430 -6.249 8.218 392 1HG ARG 73 1HG ARG 73 -5.489 -8.233 9.292 393 2HG ARG 73 2HG ARG 73 -5.459 -7.384 10.835 394 1HD ARG 73 1HD ARG 73 -6.834 -6.459 8.286 395 2HD ARG 73 2HD ARG 73 -7.653 -7.280 9.598 396 HE ARG 73 HE ARG 73 -7.160 -4.524 9.335 397 1HH1 ARG 73 1HH1 ARG 73 -7.276 -6.994 11.883 398 2HH1 ARG 73 2HH1 ARG 73 -7.487 -5.894 13.184 399 1HH2 ARG 73 1HH2 ARG 73 -7.637 -3.036 11.044 400 2HH2 ARG 73 2HH2 ARG 73 -7.414 -3.554 12.694 401 H LEU 74 H LEU 74 -2.897 -8.098 7.103 402 HA LEU 74 HA LEU 74 -3.901 -10.653 7.678 403 1HB LEU 74 1HB LEU 74 -2.467 -9.316 5.362 404 2HB LEU 74 2HB LEU 74 -2.748 -11.036 5.322 405 HG LEU 74 HG LEU 74 -5.018 -9.072 5.823 406 1HD1 LEU 74 1HD1 LEU 74 -4.092 -10.204 3.149 407 2HD1 LEU 74 2HD1 LEU 74 -5.589 -9.293 3.437 408 3HD1 LEU 74 3HD1 LEU 74 -4.020 -8.504 3.661 409 1HD2 LEU 74 1HD2 LEU 74 -4.943 -11.967 4.869 410 2HD2 LEU 74 2HD2 LEU 74 -5.530 -11.394 6.448 411 3HD2 LEU 74 3HD2 LEU 74 -6.406 -10.974 4.982 412 H GLN 75 H GLN 75 -0.466 -9.546 7.133 413 HA GLN 75 HA GLN 75 0.607 -12.131 7.486 414 1HB GLN 75 1HB GLN 75 1.711 -9.845 6.692 415 2HB GLN 75 2HB GLN 75 2.043 -9.605 8.396 416 1HG GLN 75 1HG GLN 75 3.080 -11.881 8.491 417 2HG GLN 75 2HG GLN 75 2.821 -12.082 6.760 418 1HE2 GLN 75 2HE2 GLN 75 4.524 -11.436 5.417 419 2HE2 GLN 75 1HE2 GLN 75 5.980 -10.718 6.057 420 H GLU 76 H GLU 76 -0.099 -9.541 9.826 421 HA GLU 76 HA GLU 76 0.899 -10.918 12.116 422 1HB GLU 76 1HB GLU 76 0.557 -8.529 11.890 423 2HB GLU 76 2HB GLU 76 -1.188 -8.733 11.778 424 1HG GLU 76 1HG GLU 76 -1.184 -9.566 14.143 425 2HG GLU 76 2HG GLU 76 0.559 -9.242 14.215 426 H SER 77 H SER 77 -2.158 -11.247 10.377 427 HA SER 77 HA SER 77 -3.368 -12.894 12.479 428 1HB SER 77 1HB SER 77 -4.241 -11.524 10.072 429 2HB SER 77 2HB SER 77 -4.793 -13.201 10.070 430 HG SER 77 HG SER 77 -5.681 -12.912 12.069 431 H GLY 78 H GLY 78 -0.961 -13.398 10.073 432 1HA GLY 78 1HA GLY 78 0.014 -15.302 9.323 433 2HA GLY 78 2HA GLY 78 -1.069 -16.302 10.325 434 H SER 79 H SER 79 -1.378 -13.894 7.682 435 HA SER 79 HA SER 79 -2.626 -15.980 5.997 436 1HB SER 79 1HB SER 79 -3.799 -13.233 6.582 437 2HB SER 79 2HB SER 79 -4.388 -14.328 5.310 438 HG SER 79 HG SER 79 -4.044 -15.546 7.738 439 HA PRO 80 HA PRO 80 -0.049 -14.275 2.786 440 1HB PRO 80 1HB PRO 80 -2.469 -14.540 1.020 441 2HB PRO 80 2HB PRO 80 -0.784 -15.083 0.740 442 1HG PRO 80 1HG PRO 80 -2.655 -16.896 1.477 443 2HG PRO 80 2HG PRO 80 -1.042 -16.914 2.251 444 1HD PRO 80 1HD PRO 80 -3.601 -15.660 3.293 445 2HD PRO 80 2HD PRO 80 -2.453 -16.753 4.120 446 H ILE 81 H ILE 81 0.083 -12.520 1.181 447 HA ILE 81 HA ILE 81 -1.700 -10.228 1.807 448 HB ILE 81 HB ILE 81 0.228 -8.779 1.535 449 1HG1 ILE 81 1HG1 ILE 81 1.990 -11.259 1.357 450 2HG1 ILE 81 2HG1 ILE 81 1.550 -10.239 -0.016 451 1HG2 ILE 81 1HG2 ILE 81 -0.432 -9.728 3.781 452 2HG2 ILE 81 2HG2 ILE 81 0.843 -10.940 3.604 453 3HG2 ILE 81 3HG2 ILE 81 1.250 -9.216 3.692 454 1HD1 ILE 81 1HD1 ILE 81 2.596 -8.273 1.104 455 2HD1 ILE 81 2HD1 ILE 81 3.140 -9.345 2.414 456 3HD1 ILE 81 3HD1 ILE 81 3.742 -9.585 0.766 457 H ASP 82 H ASP 82 -1.825 -12.348 -0.304 458 HA ASP 82 HA ASP 82 -1.168 -11.158 -2.849 459 1HB ASP 82 1HB ASP 82 -3.384 -13.173 -2.163 460 2HB ASP 82 2HB ASP 82 -2.922 -12.739 -3.789 461 H LEU 83 H LEU 83 -2.633 -10.364 -4.403 462 HA LEU 83 HA LEU 83 -4.261 -8.242 -3.920 463 1HB LEU 83 1HB LEU 83 -3.368 -9.361 -6.113 464 2HB LEU 83 2HB LEU 83 -4.811 -10.326 -6.108 465 HG LEU 83 HG LEU 83 -5.129 -8.598 -7.652 466 1HD1 LEU 83 1HD1 LEU 83 -7.123 -8.911 -6.158 467 2HD1 LEU 83 2HD1 LEU 83 -6.627 -7.451 -5.276 468 3HD1 LEU 83 3HD1 LEU 83 -7.034 -7.353 -6.998 469 1HD2 LEU 83 1HD2 LEU 83 -3.289 -7.177 -6.708 470 2HD2 LEU 83 2HD2 LEU 83 -4.704 -6.285 -7.273 471 3HD2 LEU 83 3HD2 LEU 83 -4.456 -6.531 -5.536 472 H ILE 84 H ILE 84 -5.687 -11.542 -4.609 473 HA ILE 84 HA ILE 84 -8.203 -10.814 -3.947 474 HB ILE 84 HB ILE 84 -6.977 -13.588 -3.759 475 1HG1 ILE 84 1HG1 ILE 84 -7.682 -13.328 -6.377 476 2HG1 ILE 84 2HG1 ILE 84 -7.124 -11.734 -6.132 477 1HG2 ILE 84 1HG2 ILE 84 -9.695 -12.574 -4.683 478 2HG2 ILE 84 2HG2 ILE 84 -9.136 -14.274 -4.765 479 3HG2 ILE 84 3HG2 ILE 84 -9.336 -13.476 -3.207 480 1HD1 ILE 84 1HD1 ILE 84 -5.580 -14.336 -5.654 481 2HD1 ILE 84 2HD1 ILE 84 -5.391 -13.230 -7.023 482 3HD1 ILE 84 3HD1 ILE 84 -4.887 -12.729 -5.402 483 H THR 85 H THR 85 -5.688 -12.210 -1.820 484 HA THR 85 HA THR 85 -7.358 -12.711 0.351 485 HB THR 85 HB THR 85 -4.448 -11.879 0.614 486 HG1 THR 85 HG1 THR 85 -4.992 -14.556 0.350 487 1HG2 THR 85 1HG2 THR 85 -6.197 -13.890 2.123 488 2HG2 THR 85 2HG2 THR 85 -4.478 -13.584 2.431 489 3HG2 THR 85 3HG2 THR 85 -5.669 -12.307 2.717 490 H LEU 86 H LEU 86 -5.505 -9.890 -0.569 491 HA LEU 86 HA LEU 86 -6.056 -8.122 1.595 492 1HB LEU 86 1HB LEU 86 -4.253 -7.809 -0.025 493 2HB LEU 86 2HB LEU 86 -5.346 -7.827 -1.356 494 HG LEU 86 HG LEU 86 -6.341 -5.652 -0.628 495 1HD1 LEU 86 1HD1 LEU 86 -3.974 -5.651 1.296 496 2HD1 LEU 86 2HD1 LEU 86 -5.056 -4.278 0.954 497 3HD1 LEU 86 3HD1 LEU 86 -5.695 -5.728 1.737 498 1HD2 LEU 86 1HD2 LEU 86 -3.363 -5.787 -1.228 499 2HD2 LEU 86 2HD2 LEU 86 -4.691 -5.805 -2.406 500 3HD2 LEU 86 3HD2 LEU 86 -4.393 -4.354 -1.440 501 H ALA 87 H ALA 87 -7.492 -8.386 -1.572 502 HA ALA 87 HA ALA 87 -9.446 -6.364 -1.329 503 1HB ALA 87 1HB ALA 87 -8.863 -7.477 -3.487 504 2HB ALA 87 2HB ALA 87 -9.716 -8.938 -2.950 505 3HB ALA 87 3HB ALA 87 -10.615 -7.423 -3.194 506 H GLU 88 H GLU 88 -9.786 -9.867 -0.689 507 HA GLU 88 HA GLU 88 -12.440 -9.869 0.307 508 1HB GLU 88 1HB GLU 88 -10.006 -11.564 0.832 509 2HB GLU 88 2HB GLU 88 -11.584 -11.958 1.530 510 1HG GLU 88 1HG GLU 88 -12.552 -12.350 -0.622 511 2HG GLU 88 2HG GLU 88 -11.161 -11.695 -1.474 512 H SER 89 H SER 89 -9.306 -9.363 1.953 513 HA SER 89 HA SER 89 -10.454 -9.390 4.571 514 1HB SER 89 1HB SER 89 -8.043 -9.790 3.832 515 2HB SER 89 2HB SER 89 -7.853 -8.029 3.779 516 HG SER 89 HG SER 89 -8.022 -7.948 5.896 517 H LEU 90 H LEU 90 -9.998 -6.845 2.181 518 HA LEU 90 HA LEU 90 -10.770 -4.657 3.921 519 1HB LEU 90 1HB LEU 90 -10.514 -4.974 0.915 520 2HB LEU 90 2HB LEU 90 -11.066 -3.483 1.661 521 HG LEU 90 HG LEU 90 -8.420 -4.767 2.409 522 1HD1 LEU 90 1HD1 LEU 90 -8.963 -2.668 0.307 523 2HD1 LEU 90 2HD1 LEU 90 -7.348 -3.166 0.870 524 3HD1 LEU 90 3HD1 LEU 90 -8.384 -4.328 0.027 525 1HD2 LEU 90 1HD2 LEU 90 -9.456 -1.909 2.720 526 2HD2 LEU 90 2HD2 LEU 90 -9.228 -3.088 4.038 527 3HD2 LEU 90 3HD2 LEU 90 -7.832 -2.478 3.159 528 H GLU 91 H GLU 91 -12.597 -6.639 1.439 529 HA GLU 91 HA GLU 91 -14.977 -5.064 1.904 530 1HB GLU 91 1HB GLU 91 -16.253 -6.771 0.766 531 2HB GLU 91 2HB GLU 91 -14.872 -6.232 -0.170 532 1HG GLU 91 1HG GLU 91 -13.767 -8.270 0.036 533 2HG GLU 91 2HG GLU 91 -14.665 -8.750 1.490 534 H ARG 92 H ARG 92 -13.738 -7.946 3.610 535 HA ARG 92 HA ARG 92 -16.032 -8.412 5.222 536 1HB ARG 92 1HB ARG 92 -13.059 -8.538 5.898 537 2HB ARG 92 2HB ARG 92 -14.341 -9.125 6.967 538 1HG ARG 92 1HG ARG 92 -15.062 -10.769 5.378 539 2HG ARG 92 2HG ARG 92 -14.001 -10.154 4.124 540 1HD ARG 92 1HD ARG 92 -12.030 -10.656 5.574 541 2HD ARG 92 2HD ARG 92 -13.116 -11.423 6.746 542 HE ARG 92 HE ARG 92 -13.836 -12.860 4.750 543 1HH1 ARG 92 1HH1 ARG 92 -10.429 -11.850 5.304 544 2HH1 ARG 92 2HH1 ARG 92 -9.819 -12.966 4.112 545 1HH2 ARG 92 1HH2 ARG 92 -12.927 -14.443 3.365 546 2HH2 ARG 92 2HH2 ARG 92 -11.205 -14.608 3.242 547 H GLN 93 H GLN 93 -13.609 -5.829 5.388 548 HA GLN 93 HA GLN 93 -14.817 -4.682 7.811 549 1HB GLN 93 1HB GLN 93 -12.477 -3.817 6.083 550 2HB GLN 93 2HB GLN 93 -12.985 -3.075 7.601 551 1HG GLN 93 1HG GLN 93 -12.536 -5.135 8.834 552 2HG GLN 93 2HG GLN 93 -12.007 -5.929 7.348 553 1HE2 GLN 93 2HE2 GLN 93 -10.161 -5.130 6.245 554 2HE2 GLN 93 1HE2 GLN 93 -8.928 -4.190 6.984 555 H GLY 94 H GLY 94 -15.797 -4.637 4.618 556 1HA GLY 94 1HA GLY 94 -16.970 -3.183 3.331 557 2HA GLY 94 2HA GLY 94 -17.349 -2.286 4.808 558 H GLN 95 H GLN 95 -14.040 -2.817 3.566 559 HA GLN 95 HA GLN 95 -13.772 0.111 3.040 560 1HB GLN 95 1HB GLN 95 -12.024 -1.805 4.584 561 2HB GLN 95 2HB GLN 95 -11.332 -0.359 3.838 562 1HG GLN 95 1HG GLN 95 -12.742 1.123 5.052 563 2HG GLN 95 2HG GLN 95 -13.795 -0.174 5.602 564 1HE2 GLN 95 2HE2 GLN 95 -13.406 -1.051 7.619 565 2HE2 GLN 95 1HE2 GLN 95 -11.952 -0.706 8.563 566 H LEU 96 H LEU 96 -14.184 -2.529 1.285 567 HA LEU 96 HA LEU 96 -11.803 -2.533 -0.391 568 1HB LEU 96 1HB LEU 96 -13.121 -4.525 -0.180 569 2HB LEU 96 2HB LEU 96 -14.537 -3.715 -0.857 570 HG LEU 96 HG LEU 96 -13.404 -3.447 -3.011 571 1HD1 LEU 96 1HD1 LEU 96 -11.025 -4.786 -1.651 572 2HD1 LEU 96 2HD1 LEU 96 -11.201 -4.639 -3.413 573 3HD1 LEU 96 3HD1 LEU 96 -11.054 -3.189 -2.429 574 1HD2 LEU 96 1HD2 LEU 96 -14.623 -5.528 -2.522 575 2HD2 LEU 96 2HD2 LEU 96 -13.279 -5.803 -3.644 576 3HD2 LEU 96 3HD2 LEU 96 -13.120 -6.273 -1.935 577 H ASP 97 H ASP 97 -15.037 -0.888 -0.447 578 HA ASP 97 HA ASP 97 -14.416 0.327 -3.040 579 1HB ASP 97 1HB ASP 97 -16.793 -0.009 -2.022 580 2HB ASP 97 2HB ASP 97 -16.456 1.487 -1.135 581 H SER 98 H SER 98 -13.972 1.089 0.346 582 HA SER 98 HA SER 98 -13.023 3.720 0.041 583 1HB SER 98 1HB SER 98 -13.773 2.261 2.143 584 2HB SER 98 2HB SER 98 -12.041 1.950 2.281 585 HG SER 98 HG SER 98 -13.426 4.458 2.294 586 H VAL 99 H VAL 99 -11.464 0.837 -0.993 587 HA VAL 99 HA VAL 99 -8.970 2.413 -1.298 588 HB VAL 99 HB VAL 99 -7.827 0.421 -2.039 589 1HG1 VAL 99 1HG1 VAL 99 -7.708 1.138 0.269 590 2HG1 VAL 99 2HG1 VAL 99 -9.107 0.136 0.716 591 3HG1 VAL 99 3HG1 VAL 99 -7.590 -0.617 0.171 592 1HG2 VAL 99 1HG2 VAL 99 -9.799 -0.918 -2.835 593 2HG2 VAL 99 2HG2 VAL 99 -8.679 -1.796 -1.796 594 3HG2 VAL 99 3HG2 VAL 99 -10.199 -1.204 -1.116 595 H GLY 100 H GLY 100 -11.711 1.239 -2.888 596 1HA GLY 100 1HA GLY 100 -12.271 2.623 -4.891 597 2HA GLY 100 2HA GLY 100 -10.714 2.150 -5.572 598 H GLY 101 H GLY 101 -11.912 -0.597 -4.024 599 1HA GLY 101 1HA GLY 101 -13.441 -2.257 -4.783 600 2HA GLY 101 2HA GLY 101 -13.381 -1.597 -6.411 601 H PHE 102 H PHE 102 -12.990 -4.218 -6.295 602 HA PHE 102 HA PHE 102 -10.322 -5.139 -5.884 603 1HB PHE 102 1HB PHE 102 -12.434 -6.510 -6.162 604 2HB PHE 102 2HB PHE 102 -12.362 -6.172 -7.887 605 HD1 PHE 102 HD1 PHE 102 -10.268 -6.983 -9.202 606 HD2 PHE 102 HD2 PHE 102 -11.230 -8.309 -5.214 607 HE1 PHE 102 HE1 PHE 102 -8.820 -8.971 -9.506 608 HE2 PHE 102 HE2 PHE 102 -9.776 -10.277 -5.517 609 HZ PHE 102 HZ PHE 102 -8.560 -10.619 -7.672 610 H ALA 103 H ALA 103 -11.933 -3.618 -8.719 611 HA ALA 103 HA ALA 103 -9.834 -4.082 -10.586 612 1HB ALA 103 1HB ALA 103 -11.906 -1.847 -10.454 613 2HB ALA 103 2HB ALA 103 -10.877 -2.203 -11.846 614 3HB ALA 103 3HB ALA 103 -12.057 -3.409 -11.309 615 H TYR 104 H TYR 104 -10.232 -1.563 -8.084 616 HA TYR 104 HA TYR 104 -8.088 0.115 -9.076 617 1HB TYR 104 1HB TYR 104 -9.721 1.098 -7.616 618 2HB TYR 104 2HB TYR 104 -9.467 -0.132 -6.386 619 HD1 TYR 104 HD1 TYR 104 -7.401 -0.208 -5.018 620 HD2 TYR 104 HD2 TYR 104 -8.256 3.055 -7.715 621 HE1 TYR 104 HE1 TYR 104 -5.721 1.181 -3.862 622 HE2 TYR 104 HE2 TYR 104 -6.598 4.462 -6.532 623 HH TYR 104 HH TYR 104 -4.975 4.551 -4.795 624 H LEU 105 H LEU 105 -8.315 -2.484 -6.622 625 HA LEU 105 HA LEU 105 -5.534 -2.415 -5.907 626 1HB LEU 105 1HB LEU 105 -7.539 -4.718 -5.859 627 2HB LEU 105 2HB LEU 105 -5.936 -4.777 -5.139 628 HG LEU 105 HG LEU 105 -8.127 -2.824 -4.305 629 1HD1 LEU 105 1HD1 LEU 105 -7.118 -5.379 -2.986 630 2HD1 LEU 105 2HD1 LEU 105 -8.291 -4.233 -2.293 631 3HD1 LEU 105 3HD1 LEU 105 -8.698 -5.131 -3.757 632 1HD2 LEU 105 1HD2 LEU 105 -5.317 -3.352 -3.263 633 2HD2 LEU 105 2HD2 LEU 105 -6.006 -1.819 -3.813 634 3HD2 LEU 105 3HD2 LEU 105 -6.560 -2.533 -2.297 635 H ALA 106 H ALA 106 -7.323 -4.272 -8.380 636 HA ALA 106 HA ALA 106 -5.121 -5.709 -9.397 637 1HB ALA 106 1HB ALA 106 -7.505 -6.219 -9.888 638 2HB ALA 106 2HB ALA 106 -7.591 -4.751 -10.892 639 3HB ALA 106 3HB ALA 106 -6.520 -6.086 -11.356 640 H GLU 107 H GLU 107 -6.312 -2.451 -10.177 641 HA GLU 107 HA GLU 107 -4.511 -1.925 -12.315 642 1HB GLU 107 1HB GLU 107 -6.518 -0.449 -11.528 643 2HB GLU 107 2HB GLU 107 -5.386 0.211 -10.343 644 1HG GLU 107 1HG GLU 107 -3.844 0.437 -12.567 645 2HG GLU 107 2HG GLU 107 -5.424 0.486 -13.338 646 H LEU 108 H LEU 108 -4.204 -1.280 -8.784 647 HA LEU 108 HA LEU 108 -1.566 -0.209 -8.933 648 1HB LEU 108 1HB LEU 108 -2.864 -1.772 -6.661 649 2HB LEU 108 2HB LEU 108 -1.345 -0.884 -6.563 650 HG LEU 108 HG LEU 108 -4.109 0.324 -6.989 651 1HD1 LEU 108 1HD1 LEU 108 -2.062 0.380 -4.727 652 2HD1 LEU 108 2HD1 LEU 108 -3.525 1.377 -4.781 653 3HD1 LEU 108 3HD1 LEU 108 -3.660 -0.394 -4.739 654 1HD2 LEU 108 1HD2 LEU 108 -1.363 1.589 -7.007 655 2HD2 LEU 108 2HD2 LEU 108 -2.600 1.679 -8.287 656 3HD2 LEU 108 3HD2 LEU 108 -2.868 2.514 -6.751 657 H SER 109 H SER 109 -2.675 -3.567 -8.584 658 HA SER 109 HA SER 109 -0.177 -4.781 -8.233 659 1HB SER 109 1HB SER 109 -2.534 -5.751 -8.105 660 2HB SER 109 2HB SER 109 -2.452 -6.007 -9.841 661 HG SER 109 HG SER 109 -0.191 -6.943 -8.628 662 H LYS 110 H LYS 110 -2.037 -4.050 -11.266 663 HA LYS 110 HA LYS 110 -0.014 -4.977 -13.076 664 1HB LYS 110 1HB LYS 110 -2.245 -2.952 -13.456 665 2HB LYS 110 2HB LYS 110 -1.284 -3.601 -14.782 666 1HG LYS 110 1HG LYS 110 -2.200 -5.758 -14.624 667 2HG LYS 110 2HG LYS 110 -2.732 -5.531 -12.959 668 1HD LYS 110 1HD LYS 110 -4.251 -3.634 -13.991 669 2HD LYS 110 2HD LYS 110 -4.025 -4.519 -15.502 670 1HE LYS 110 1HE LYS 110 -5.042 -5.653 -12.850 671 2HE LYS 110 2HE LYS 110 -6.080 -5.113 -14.171 672 1HZ LYS 110 1HZ LYS 110 -5.046 -6.817 -15.563 673 2HZ LYS 110 2HZ LYS 110 -4.178 -7.368 -14.283 674 3HZ LYS 110 3HZ LYS 110 -5.834 -7.450 -14.249 675 H ASN 111 H ASN 111 -0.461 -1.970 -11.460 676 HA ASN 111 HA ASN 111 1.446 -0.521 -13.112 677 1HB ASN 111 1HB ASN 111 0.108 0.269 -10.478 678 2HB ASN 111 2HB ASN 111 1.098 1.351 -11.441 679 1HD2 ASN 111 2HD2 ASN 111 -1.102 2.448 -10.884 680 2HD2 ASN 111 1HD2 ASN 111 -2.353 2.317 -12.123 681 H THR 112 H THR 112 2.224 -2.828 -11.440 682 HA THR 112 HA THR 112 4.270 -1.792 -9.614 683 HB THR 112 HB THR 112 4.072 -4.600 -10.781 684 HG1 THR 112 HG1 THR 112 2.247 -4.317 -9.650 685 1HG2 THR 112 1HG2 THR 112 5.498 -3.395 -8.356 686 2HG2 THR 112 2HG2 THR 112 5.323 -5.131 -8.670 687 3HG2 THR 112 3HG2 THR 112 6.261 -4.129 -9.780 688 HA PRO 113 HA PRO 113 7.030 -1.306 -13.246 689 1HB PRO 113 1HB PRO 113 9.014 0.136 -12.137 690 2HB PRO 113 2HB PRO 113 7.374 0.820 -12.329 691 1HG PRO 113 1HG PRO 113 8.526 -0.488 -9.841 692 2HG PRO 113 2HG PRO 113 7.757 1.130 -9.999 693 1HD PRO 113 1HD PRO 113 6.378 -1.114 -9.223 694 2HD PRO 113 2HD PRO 113 5.620 0.202 -10.174 695 H SER 114 H SER 114 6.818 -3.791 -12.364 696 HA SER 114 HA SER 114 7.690 -5.782 -11.821 697 1HB SER 114 1HB SER 114 9.134 -4.966 -13.818 698 2HB SER 114 2HB SER 114 10.415 -4.724 -12.628 699 HG SER 114 HG SER 114 10.793 -6.759 -12.913 700 H ALA 115 H ALA 115 9.772 -6.847 -10.602 701 HA ALA 115 HA ALA 115 10.122 -5.403 -7.998 702 1HB ALA 115 1HB ALA 115 10.757 -8.277 -8.816 703 2HB ALA 115 2HB ALA 115 11.185 -7.532 -7.261 704 3HB ALA 115 3HB ALA 115 9.482 -7.739 -7.692 705 H ALA 116 H ALA 116 11.491 -3.783 -8.744 706 HA ALA 116 HA ALA 116 13.995 -4.580 -10.162 707 1HB ALA 116 1HB ALA 116 12.041 -2.379 -10.943 708 2HB ALA 116 2HB ALA 116 13.645 -2.618 -11.646 709 3HB ALA 116 3HB ALA 116 12.396 -3.861 -11.866 710 H ASN 117 H ASN 117 12.236 -1.999 -8.427 711 HA ASN 117 HA ASN 117 14.783 -1.088 -7.209 712 1HB ASN 117 1HB ASN 117 12.864 0.690 -8.790 713 2HB ASN 117 2HB ASN 117 14.146 1.276 -7.731 714 1HD2 ASN 117 2HD2 ASN 117 13.501 0.342 -10.979 715 2HD2 ASN 117 1HD2 ASN 117 15.180 0.115 -11.454 716 H ILE 118 H ILE 118 12.544 -2.667 -6.232 717 HA ILE 118 HA ILE 118 10.464 -1.112 -5.106 718 HB ILE 118 HB ILE 118 10.546 -3.570 -5.641 719 1HG1 ILE 118 1HG1 ILE 118 9.391 -2.598 -2.983 720 2HG1 ILE 118 2HG1 ILE 118 8.664 -2.382 -4.577 721 1HG2 ILE 118 1HG2 ILE 118 12.567 -4.227 -4.380 722 2HG2 ILE 118 2HG2 ILE 118 11.623 -4.068 -2.877 723 3HG2 ILE 118 3HG2 ILE 118 11.162 -5.242 -4.122 724 1HD1 ILE 118 1HD1 ILE 118 8.433 -4.877 -4.757 725 2HD1 ILE 118 2HD1 ILE 118 9.017 -4.983 -3.084 726 3HD1 ILE 118 3HD1 ILE 118 7.511 -4.142 -3.413 727 H SER 119 H SER 119 13.324 -2.474 -3.674 728 HA SER 119 HA SER 119 13.090 -1.420 -1.042 729 1HB SER 119 1HB SER 119 15.605 -1.863 -2.706 730 2HB SER 119 2HB SER 119 15.584 -1.575 -0.963 731 HG SER 119 HG SER 119 14.786 -3.479 -0.586 732 H ALA 120 H ALA 120 14.344 0.048 -3.959 733 HA ALA 120 HA ALA 120 15.235 2.493 -2.667 734 1HB ALA 120 1HB ALA 120 16.225 1.743 -4.793 735 2HB ALA 120 2HB ALA 120 14.681 2.020 -5.621 736 3HB ALA 120 3HB ALA 120 15.558 3.383 -4.913 737 H TYR 121 H TYR 121 12.177 1.511 -4.332 738 HA TYR 121 HA TYR 121 10.928 4.085 -4.206 739 1HB TYR 121 1HB TYR 121 9.822 1.262 -4.401 740 2HB TYR 121 2HB TYR 121 8.827 2.698 -4.335 741 HD1 TYR 121 HD1 TYR 121 9.373 4.612 -6.099 742 HD2 TYR 121 HD2 TYR 121 10.289 0.427 -6.568 743 HE1 TYR 121 HE1 TYR 121 9.348 4.881 -8.548 744 HE2 TYR 121 HE2 TYR 121 10.348 0.697 -9.009 745 HH TYR 121 HH TYR 121 9.145 3.603 -10.568 746 H ALA 122 H ALA 122 10.999 1.247 -1.973 747 HA ALA 122 HA ALA 122 9.196 2.369 -0.066 748 1HB ALA 122 1HB ALA 122 9.763 -0.033 -0.242 749 2HB ALA 122 2HB ALA 122 11.413 0.305 0.314 750 3HB ALA 122 3HB ALA 122 10.027 0.590 1.399 751 H ASP 123 H ASP 123 12.780 2.440 -0.297 752 HA ASP 123 HA ASP 123 13.277 4.100 1.969 753 1HB ASP 123 1HB ASP 123 14.756 3.446 -0.574 754 2HB ASP 123 2HB ASP 123 15.247 4.876 0.316 755 H ILE 124 H ILE 124 12.232 4.901 -1.356 756 HA ILE 124 HA ILE 124 12.437 7.751 -1.051 757 HB ILE 124 HB ILE 124 11.362 5.826 -3.033 758 1HG1 ILE 124 1HG1 ILE 124 12.676 8.481 -3.549 759 2HG1 ILE 124 2HG1 ILE 124 13.605 7.120 -2.945 760 1HG2 ILE 124 1HG2 ILE 124 10.131 8.584 -2.888 761 2HG2 ILE 124 2HG2 ILE 124 10.144 7.586 -4.356 762 3HG2 ILE 124 3HG2 ILE 124 9.305 7.024 -2.913 763 1HD1 ILE 124 1HD1 ILE 124 12.013 7.087 -5.536 764 2HD1 ILE 124 2HD1 ILE 124 13.770 7.244 -5.375 765 3HD1 ILE 124 3HD1 ILE 124 12.968 5.745 -4.885 766 H VAL 125 H VAL 125 9.615 5.505 -0.582 767 HA VAL 125 HA VAL 125 7.847 7.629 0.196 768 HB VAL 125 HB VAL 125 7.843 4.704 0.981 769 1HG1 VAL 125 1HG1 VAL 125 5.579 6.764 1.123 770 2HG1 VAL 125 2HG1 VAL 125 5.398 5.025 1.430 771 3HG1 VAL 125 3HG1 VAL 125 6.380 6.016 2.511 772 1HG2 VAL 125 1HG2 VAL 125 6.315 6.190 -1.228 773 2HG2 VAL 125 2HG2 VAL 125 7.630 5.036 -1.490 774 3HG2 VAL 125 3HG2 VAL 125 6.110 4.473 -0.810 775 H ARG 126 H ARG 126 10.070 5.516 2.094 776 HA ARG 126 HA ARG 126 9.519 6.754 4.583 777 1HB ARG 126 1HB ARG 126 10.844 4.672 4.364 778 2HB ARG 126 2HB ARG 126 12.180 5.578 3.665 779 1HG ARG 126 1HG ARG 126 12.455 5.037 6.082 780 2HG ARG 126 2HG ARG 126 12.582 6.758 5.734 781 1HD ARG 126 1HD ARG 126 10.438 7.231 6.690 782 2HD ARG 126 2HD ARG 126 9.956 5.535 6.670 783 HE ARG 126 HE ARG 126 12.326 6.141 8.278 784 1HH1 ARG 126 1HH1 ARG 126 8.730 5.580 8.426 785 2HH1 ARG 126 2HH1 ARG 126 8.869 5.176 10.115 786 1HH2 ARG 126 1HH2 ARG 126 12.311 5.675 10.405 787 2HH2 ARG 126 2HH2 ARG 126 10.827 5.288 11.251 788 H GLU 127 H GLU 127 11.905 7.772 2.043 789 HA GLU 127 HA GLU 127 12.959 9.979 3.402 790 1HB GLU 127 1HB GLU 127 13.484 9.072 1.007 791 2HB GLU 127 2HB GLU 127 12.145 10.066 0.486 792 1HG GLU 127 1HG GLU 127 13.544 11.906 1.963 793 2HG GLU 127 2HG GLU 127 14.856 10.887 1.396 794 H ARG 128 H ARG 128 9.998 9.750 1.452 795 HA ARG 128 HA ARG 128 9.219 12.497 1.862 796 1HB ARG 128 1HB ARG 128 7.210 10.276 1.392 797 2HB ARG 128 2HB ARG 128 7.065 11.983 1.022 798 1HG ARG 128 1HG ARG 128 8.400 9.816 -0.526 799 2HG ARG 128 2HG ARG 128 7.345 11.082 -1.052 800 1HD ARG 128 1HD ARG 128 9.411 12.668 -0.522 801 2HD ARG 128 2HD ARG 128 10.336 11.164 -0.631 802 HE ARG 128 HE ARG 128 8.487 12.192 -2.748 803 1HH1 ARG 128 1HH1 ARG 128 11.854 11.009 -2.104 804 2HH1 ARG 128 2HH1 ARG 128 12.032 10.494 -3.736 805 1HH2 ARG 128 1HH2 ARG 128 8.785 11.369 -4.814 806 2HH2 ARG 128 2HH2 ARG 128 10.265 10.626 -5.278 807 H ALA 129 H ALA 129 8.774 9.658 3.940 808 HA ALA 129 HA ALA 129 7.050 11.063 5.826 809 1HB ALA 129 1HB ALA 129 6.988 8.643 5.620 810 2HB ALA 129 2HB ALA 129 8.672 8.521 6.176 811 3HB ALA 129 3HB ALA 129 7.426 9.145 7.269 812 H VAL 130 H VAL 130 10.620 10.467 5.575 813 HA VAL 130 HA VAL 130 11.170 11.798 8.066 814 HB VAL 130 HB VAL 130 12.944 11.342 5.642 815 1HG1 VAL 130 1HG1 VAL 130 13.581 12.251 8.483 816 2HG1 VAL 130 2HG1 VAL 130 14.799 11.654 7.339 817 3HG1 VAL 130 3HG1 VAL 130 13.903 13.143 6.986 818 1HG2 VAL 130 1HG2 VAL 130 12.688 9.845 8.306 819 2HG2 VAL 130 2HG2 VAL 130 12.161 9.227 6.742 820 3HG2 VAL 130 3HG2 VAL 130 13.875 9.491 7.031 821 H VAL 131 H VAL 131 10.668 12.987 4.736 822 HA VAL 131 HA VAL 131 11.135 15.753 5.341 823 HB VAL 131 HB VAL 131 9.467 14.281 3.273 824 1HG1 VAL 131 1HG1 VAL 131 9.875 17.273 3.441 825 2HG1 VAL 131 2HG1 VAL 131 9.255 16.411 2.026 826 3HG1 VAL 131 3HG1 VAL 131 8.321 16.402 3.522 827 1HG2 VAL 131 1HG2 VAL 131 11.970 14.196 3.095 828 2HG2 VAL 131 2HG2 VAL 131 11.204 14.994 1.724 829 3HG2 VAL 131 3HG2 VAL 131 11.992 15.962 2.990 830 H ARG 132 H ARG 132 8.345 13.626 5.976 831 HA ARG 132 HA ARG 132 6.622 15.733 6.937 832 1HB ARG 132 1HB ARG 132 6.112 13.240 6.087 833 2HB ARG 132 2HB ARG 132 6.464 12.805 7.752 834 1HG ARG 132 1HG ARG 132 4.169 12.855 7.524 835 2HG ARG 132 2HG ARG 132 4.592 14.249 8.518 836 1HD ARG 132 1HD ARG 132 4.281 14.581 5.522 837 2HD ARG 132 2HD ARG 132 2.838 14.373 6.519 838 HE ARG 132 HE ARG 132 3.702 16.250 7.934 839 1HH1 ARG 132 1HH1 ARG 132 4.093 16.205 4.368 840 2HH1 ARG 132 2HH1 ARG 132 4.163 17.928 4.260 841 1HH2 ARG 132 1HH2 ARG 132 3.768 18.413 7.774 842 2HH2 ARG 132 2HH2 ARG 132 4.174 19.234 6.280 843 H GLU 133 H GLU 133 9.399 14.242 8.387 844 HA GLU 133 HA GLU 133 8.500 15.275 11.031 845 1HB GLU 133 1HB GLU 133 9.817 13.837 12.129 846 2HB GLU 133 2HB GLU 133 9.357 12.865 10.743 847 1HG GLU 133 1HG GLU 133 11.613 13.424 9.723 848 2HG GLU 133 2HG GLU 133 12.029 14.247 11.228 849 H MET 134 H MET 134 11.337 15.377 8.878 850 HA MET 134 HA MET 134 12.300 17.887 10.056 851 1HB MET 134 1HB MET 134 13.355 16.177 7.774 852 2HB MET 134 2HB MET 134 14.086 17.689 8.339 853 1HG MET 134 1HG MET 134 14.232 16.641 10.652 854 2HG MET 134 2HG MET 134 13.749 15.119 9.903 855 1HE MET 134 1HE MET 134 16.554 17.714 10.541 856 2HE MET 134 2HE MET 134 17.814 17.281 9.367 857 3HE MET 134 3HE MET 134 16.319 18.059 8.811 858 H ILE 135 H ILE 135 9.771 18.204 9.252 859 HA ILE 135 HA ILE 135 9.111 19.255 6.872 860 HB ILE 135 HB ILE 135 7.542 20.683 8.124 861 1HG1 ILE 135 1HG1 ILE 135 9.213 19.905 10.564 862 2HG1 ILE 135 2HG1 ILE 135 9.001 21.519 9.887 863 1HG2 ILE 135 1HG2 ILE 135 7.217 18.172 7.831 864 2HG2 ILE 135 2HG2 ILE 135 7.778 17.982 9.502 865 3HG2 ILE 135 3HG2 ILE 135 6.309 18.906 9.147 866 1HD1 ILE 135 1HD1 ILE 135 6.573 21.400 10.458 867 2HD1 ILE 135 2HD1 ILE 135 6.881 19.832 11.254 868 3HD1 ILE 135 3HD1 ILE 135 7.652 21.289 11.863 869 H SER 136 H SER 136 8.857 21.345 5.998 870 HA SER 136 HA SER 136 11.307 22.854 5.942 871 1HB SER 136 1HB SER 136 8.611 23.477 4.716 872 2HB SER 136 2HB SER 136 10.167 24.180 4.239 873 HG SER 136 HG SER 136 10.636 22.403 3.118 Start of MODEL 19 1 1H MET 23 1H MET 23 3.258 23.758 0.100 2 2H MET 23 2H MET 23 2.787 24.387 1.540 3 3H MET 23 3H MET 23 1.771 23.389 0.705 4 HA MET 23 HA MET 23 1.016 25.613 0.436 5 1HB MET 23 1HB MET 23 3.817 26.112 -0.673 6 2HB MET 23 2HB MET 23 2.443 27.204 -0.826 7 1HG MET 23 1HG MET 23 3.725 28.039 0.946 8 2HG MET 23 2HG MET 23 2.290 27.311 1.672 9 1HE MET 23 1HE MET 23 5.107 28.196 3.092 10 2HE MET 23 2HE MET 23 3.708 27.608 4.026 11 3HE MET 23 3HE MET 23 5.306 26.859 4.248 12 H LYS 24 H LYS 24 -0.464 25.134 -1.083 13 HA LYS 24 HA LYS 24 -1.480 24.253 -2.853 14 1HB LYS 24 1HB LYS 24 -0.707 26.406 -3.634 15 2HB LYS 24 2HB LYS 24 0.709 25.685 -4.383 16 1HG LYS 24 1HG LYS 24 -2.139 24.804 -5.036 17 2HG LYS 24 2HG LYS 24 -1.478 26.270 -5.723 18 1HD LYS 24 1HD LYS 24 -0.502 23.446 -6.243 19 2HD LYS 24 2HD LYS 24 -1.316 24.545 -7.348 20 1HE LYS 24 1HE LYS 24 0.677 26.131 -7.082 21 2HE LYS 24 2HE LYS 24 1.494 24.830 -6.205 22 1HZ LYS 24 1HZ LYS 24 1.194 23.446 -8.212 23 2HZ LYS 24 2HZ LYS 24 0.547 24.734 -9.004 24 3HZ LYS 24 3HZ LYS 24 2.104 24.779 -8.501 25 H VAL 25 H VAL 25 -1.317 22.167 -2.420 26 HA VAL 25 HA VAL 25 -1.049 20.023 -2.784 27 HB VAL 25 HB VAL 25 0.777 20.644 -5.110 28 1HG1 VAL 25 1HG1 VAL 25 -0.549 18.038 -4.246 29 2HG1 VAL 25 2HG1 VAL 25 0.245 18.315 -5.810 30 3HG1 VAL 25 3HG1 VAL 25 1.193 18.371 -4.328 31 1HG2 VAL 25 1HG2 VAL 25 -1.547 21.491 -5.420 32 2HG2 VAL 25 2HG2 VAL 25 -1.198 20.113 -6.463 33 3HG2 VAL 25 3HG2 VAL 25 -2.175 19.882 -5.005 34 HA PRO 26 HA PRO 26 2.688 19.751 -0.183 35 1HB PRO 26 1HB PRO 26 1.990 17.428 1.131 36 2HB PRO 26 2HB PRO 26 1.372 19.041 1.591 37 1HG PRO 26 1HG PRO 26 -0.015 16.901 0.012 38 2HG PRO 26 2HG PRO 26 -0.676 18.024 1.253 39 1HD PRO 26 1HD PRO 26 -0.899 18.363 -1.488 40 2HD PRO 26 2HD PRO 26 -1.011 19.690 -0.293 41 HA PRO 27 HA PRO 27 4.409 16.758 -3.088 42 1HB PRO 27 1HB PRO 27 6.889 16.272 -2.042 43 2HB PRO 27 2HB PRO 27 6.446 17.837 -2.789 44 1HG PRO 27 1HG PRO 27 6.455 17.117 0.157 45 2HG PRO 27 2HG PRO 27 7.144 18.558 -0.643 46 1HD PRO 27 1HD PRO 27 4.680 18.573 0.559 47 2HD PRO 27 2HD PRO 27 5.040 19.558 -0.893 48 H HIS 28 H HIS 28 5.240 14.541 -3.150 49 HA HIS 28 HA HIS 28 5.442 12.645 -1.130 50 1HB HIS 28 1HB HIS 28 3.245 11.371 -1.904 51 2HB HIS 28 2HB HIS 28 3.217 12.517 -0.590 52 HD1 HIS 28 HD1 HIS 28 1.624 14.513 -0.789 53 HD2 HIS 28 HD2 HIS 28 2.360 12.556 -4.421 54 HE1 HIS 28 HE1 HIS 28 0.010 15.529 -2.477 55 H SER 29 H SER 29 5.187 10.361 -2.464 56 HA SER 29 HA SER 29 5.614 10.808 -5.357 57 1HB SER 29 1HB SER 29 7.413 9.056 -3.635 58 2HB SER 29 2HB SER 29 7.348 9.047 -5.409 59 HG SER 29 HG SER 29 8.969 10.404 -4.935 60 H ILE 30 H ILE 30 3.332 10.392 -5.117 61 HA ILE 30 HA ILE 30 2.164 8.089 -3.963 62 HB ILE 30 HB ILE 30 1.437 10.169 -6.028 63 1HG1 ILE 30 1HG1 ILE 30 1.520 10.640 -3.579 64 2HG1 ILE 30 2HG1 ILE 30 0.000 11.052 -4.368 65 1HG2 ILE 30 1HG2 ILE 30 0.202 8.228 -6.894 66 2HG2 ILE 30 2HG2 ILE 30 -0.610 8.050 -5.328 67 3HG2 ILE 30 3HG2 ILE 30 -0.809 9.520 -6.308 68 1HD1 ILE 30 1HD1 ILE 30 0.491 8.586 -2.641 69 2HD1 ILE 30 2HD1 ILE 30 -0.266 10.096 -2.120 70 3HD1 ILE 30 3HD1 ILE 30 -1.064 9.094 -3.343 71 H GLU 31 H GLU 31 3.002 8.601 -7.487 72 HA GLU 31 HA GLU 31 2.113 5.917 -8.060 73 1HB GLU 31 1HB GLU 31 3.612 8.054 -9.546 74 2HB GLU 31 2HB GLU 31 3.507 6.405 -10.202 75 1HG GLU 31 1HG GLU 31 1.077 6.447 -10.105 76 2HG GLU 31 2HG GLU 31 1.060 7.892 -9.111 77 H ALA 32 H ALA 32 5.084 7.183 -6.926 78 HA ALA 32 HA ALA 32 6.661 4.785 -7.342 79 1HB ALA 32 1HB ALA 32 7.379 7.299 -6.890 80 2HB ALA 32 2HB ALA 32 7.304 6.775 -5.179 81 3HB ALA 32 3HB ALA 32 8.360 5.958 -6.345 82 H GLU 33 H GLU 33 4.537 5.982 -4.741 83 HA GLU 33 HA GLU 33 4.942 3.831 -2.869 84 1HB GLU 33 1HB GLU 33 2.718 5.854 -3.327 85 2HB GLU 33 2HB GLU 33 2.505 4.549 -2.208 86 1HG GLU 33 1HG GLU 33 4.386 5.295 -0.896 87 2HG GLU 33 2HG GLU 33 4.781 6.555 -2.079 88 H GLN 34 H GLN 34 2.556 4.390 -5.492 89 HA GLN 34 HA GLN 34 1.028 2.049 -5.306 90 1HB GLN 34 1HB GLN 34 1.845 3.649 -7.742 91 2HB GLN 34 2HB GLN 34 0.710 2.313 -7.792 92 1HG GLN 34 1HG GLN 34 -0.679 3.508 -6.042 93 2HG GLN 34 2HG GLN 34 0.412 4.870 -6.161 94 1HE2 GLN 34 2HE2 GLN 34 -2.416 5.068 -6.690 95 2HE2 GLN 34 1HE2 GLN 34 -2.566 5.509 -8.374 96 H SER 35 H SER 35 4.204 2.442 -6.949 97 HA SER 35 HA SER 35 4.359 -0.203 -7.999 98 1HB SER 35 1HB SER 35 6.578 1.673 -7.080 99 2HB SER 35 2HB SER 35 6.786 0.264 -8.141 100 HG SER 35 HG SER 35 4.805 1.754 -9.093 101 H VAL 36 H VAL 36 5.228 1.048 -4.726 102 HA VAL 36 HA VAL 36 6.513 -1.455 -3.941 103 HB VAL 36 HB VAL 36 5.510 0.947 -2.327 104 1HG1 VAL 36 1HG1 VAL 36 7.264 -1.376 -1.433 105 2HG1 VAL 36 2HG1 VAL 36 6.956 0.104 -0.497 106 3HG1 VAL 36 3HG1 VAL 36 5.630 -1.005 -0.851 107 1HG2 VAL 36 1HG2 VAL 36 7.379 1.506 -3.853 108 2HG2 VAL 36 2HG2 VAL 36 7.878 1.574 -2.163 109 3HG2 VAL 36 3HG2 VAL 36 8.340 0.180 -3.164 110 H LEU 37 H LEU 37 3.354 0.119 -3.504 111 HA LEU 37 HA LEU 37 2.212 -1.798 -1.768 112 1HB LEU 37 1HB LEU 37 0.991 0.103 -3.807 113 2HB LEU 37 2HB LEU 37 0.024 -0.839 -2.682 114 HG LEU 37 HG LEU 37 2.192 1.111 -1.775 115 1HD1 LEU 37 1HD1 LEU 37 0.459 2.324 -3.022 116 2HD1 LEU 37 2HD1 LEU 37 -0.805 1.564 -2.027 117 3HD1 LEU 37 3HD1 LEU 37 0.385 2.675 -1.297 118 1HD2 LEU 37 1HD2 LEU 37 -0.101 -0.180 -0.248 119 2HD2 LEU 37 2HD2 LEU 37 1.616 -0.570 -0.078 120 3HD2 LEU 37 3HD2 LEU 37 1.025 1.017 0.397 121 H GLY 38 H GLY 38 1.880 -1.567 -5.381 122 1HA GLY 38 1HA GLY 38 0.529 -4.121 -5.577 123 2HA GLY 38 2HA GLY 38 1.267 -3.199 -6.878 124 H GLY 39 H GLY 39 3.943 -3.100 -5.505 125 1HA GLY 39 1HA GLY 39 5.318 -5.362 -6.366 126 2HA GLY 39 2HA GLY 39 5.801 -4.211 -5.123 127 H LEU 40 H LEU 40 4.085 -4.612 -3.074 128 HA LEU 40 HA LEU 40 5.181 -7.017 -1.962 129 1HB LEU 40 1HB LEU 40 3.004 -5.104 -1.040 130 2HB LEU 40 2HB LEU 40 3.511 -6.495 -0.081 131 HG LEU 40 HG LEU 40 5.379 -4.243 -0.964 132 1HD1 LEU 40 1HD1 LEU 40 3.761 -4.755 1.531 133 2HD1 LEU 40 2HD1 LEU 40 5.296 -3.898 1.649 134 3HD1 LEU 40 3HD1 LEU 40 4.010 -3.250 0.614 135 1HD2 LEU 40 1HD2 LEU 40 5.823 -6.661 0.824 136 2HD2 LEU 40 2HD2 LEU 40 6.672 -6.267 -0.686 137 3HD2 LEU 40 3HD2 LEU 40 6.914 -5.253 0.723 138 H MET 41 H MET 41 2.150 -6.440 -3.619 139 HA MET 41 HA MET 41 0.894 -8.953 -2.944 140 1HB MET 41 1HB MET 41 0.563 -7.435 -5.544 141 2HB MET 41 2HB MET 41 -0.568 -8.551 -4.806 142 1HG MET 41 1HG MET 41 -1.091 -6.942 -3.058 143 2HG MET 41 2HG MET 41 0.185 -5.855 -3.634 144 1HE MET 41 1HE MET 41 -1.032 -3.687 -4.083 145 2HE MET 41 2HE MET 41 -2.638 -3.574 -4.834 146 3HE MET 41 3HE MET 41 -2.447 -4.379 -3.252 147 H LEU 42 H LEU 42 3.573 -8.058 -5.012 148 HA LEU 42 HA LEU 42 3.269 -10.392 -6.781 149 1HB LEU 42 1HB LEU 42 3.602 -7.838 -7.381 150 2HB LEU 42 2HB LEU 42 5.303 -8.197 -7.170 151 HG LEU 42 HG LEU 42 3.515 -9.922 -8.951 152 1HD1 LEU 42 1HD1 LEU 42 4.893 -7.321 -9.685 153 2HD1 LEU 42 2HD1 LEU 42 4.175 -8.453 -10.850 154 3HD1 LEU 42 3HD1 LEU 42 3.150 -7.621 -9.670 155 1HD2 LEU 42 1HD2 LEU 42 6.485 -9.232 -9.069 156 2HD2 LEU 42 2HD2 LEU 42 5.807 -10.762 -8.476 157 3HD2 LEU 42 3HD2 LEU 42 5.621 -10.329 -10.173 158 H ASP 43 H ASP 43 5.703 -8.818 -4.770 159 HA ASP 43 HA ASP 43 7.320 -11.332 -4.615 160 1HB ASP 43 1HB ASP 43 8.352 -9.899 -6.176 161 2HB ASP 43 2HB ASP 43 8.311 -8.508 -5.069 162 H ASN 44 H ASN 44 6.428 -11.844 -2.733 163 HA ASN 44 HA ASN 44 5.986 -10.035 -0.546 164 1HB ASN 44 1HB ASN 44 6.331 -13.029 -0.205 165 2HB ASN 44 2HB ASN 44 5.463 -11.916 0.838 166 1HD2 ASN 44 2HD2 ASN 44 3.879 -10.518 -1.416 167 2HD2 ASN 44 1HD2 ASN 44 2.832 -11.801 -1.953 168 H GLU 45 H GLU 45 8.909 -11.643 -1.566 169 HA GLU 45 HA GLU 45 10.263 -11.546 1.022 170 1HB GLU 45 1HB GLU 45 11.162 -11.854 -1.880 171 2HB GLU 45 2HB GLU 45 12.304 -11.843 -0.538 172 1HG GLU 45 1HG GLU 45 9.989 -13.814 -0.572 173 2HG GLU 45 2HG GLU 45 11.469 -14.108 -1.484 174 H ARG 46 H ARG 46 9.385 -8.999 -1.218 175 HA ARG 46 HA ARG 46 11.511 -7.291 -0.093 176 1HB ARG 46 1HB ARG 46 9.022 -6.684 -1.738 177 2HB ARG 46 2HB ARG 46 10.179 -5.463 -1.215 178 1HG ARG 46 1HG ARG 46 11.119 -7.850 -2.798 179 2HG ARG 46 2HG ARG 46 10.326 -6.525 -3.596 180 1HD ARG 46 1HD ARG 46 12.624 -6.104 -3.823 181 2HD ARG 46 2HD ARG 46 12.112 -4.986 -2.559 182 HE ARG 46 HE ARG 46 13.067 -6.596 -0.891 183 1HH1 ARG 46 1HH1 ARG 46 14.525 -6.452 -4.151 184 2HH1 ARG 46 2HH1 ARG 46 15.940 -7.338 -3.646 185 1HH2 ARG 46 1HH2 ARG 46 14.890 -7.446 -0.251 186 2HH2 ARG 46 2HH2 ARG 46 16.267 -7.704 -1.275 187 H TRP 47 H TRP 47 8.570 -8.596 1.148 188 HA TRP 47 HA TRP 47 7.436 -6.396 2.470 189 1HB TRP 47 1HB TRP 47 6.352 -8.581 2.472 190 2HB TRP 47 2HB TRP 47 7.646 -9.261 3.456 191 HD1 TRP 47 HD1 TRP 47 7.767 -8.655 6.000 192 HE1 TRP 47 HE1 TRP 47 6.240 -7.473 7.634 193 HE3 TRP 47 HE3 TRP 47 4.364 -6.832 2.660 194 HZ2 TRP 47 HZ2 TRP 47 3.953 -5.631 7.472 195 HZ3 TRP 47 HZ3 TRP 47 2.564 -5.289 3.413 196 HH2 TRP 47 HH2 TRP 47 2.390 -4.642 5.764 197 H ASP 48 H ASP 48 10.115 -8.497 3.622 198 HA ASP 48 HA ASP 48 10.449 -6.954 6.053 199 1HB ASP 48 1HB ASP 48 12.011 -9.036 4.471 200 2HB ASP 48 2HB ASP 48 12.890 -8.084 5.627 201 H ASP 49 H ASP 49 11.516 -6.192 2.930 202 HA ASP 49 HA ASP 49 13.689 -4.369 3.891 203 1HB ASP 49 1HB ASP 49 12.506 -4.646 1.074 204 2HB ASP 49 2HB ASP 49 13.907 -3.688 1.536 205 H VAL 50 H VAL 50 10.493 -4.330 2.402 206 HA VAL 50 HA VAL 50 10.180 -1.488 2.309 207 HB VAL 50 HB VAL 50 8.288 -3.865 2.263 208 1HG1 VAL 50 1HG1 VAL 50 7.762 -0.901 1.644 209 2HG1 VAL 50 2HG1 VAL 50 6.628 -2.202 1.260 210 3HG1 VAL 50 3HG1 VAL 50 7.032 -1.840 2.952 211 1HG2 VAL 50 1HG2 VAL 50 9.890 -3.647 0.311 212 2HG2 VAL 50 2HG2 VAL 50 8.190 -3.507 -0.153 213 3HG2 VAL 50 3HG2 VAL 50 9.212 -2.072 -0.037 214 H ALA 51 H ALA 51 9.087 -3.997 4.707 215 HA ALA 51 HA ALA 51 7.902 -2.239 6.532 216 1HB ALA 51 1HB ALA 51 7.620 -4.663 6.588 217 2HB ALA 51 2HB ALA 51 9.327 -4.857 7.074 218 3HB ALA 51 3HB ALA 51 8.174 -4.033 8.154 219 H GLU 52 H GLU 52 11.263 -2.927 6.003 220 HA GLU 52 HA GLU 52 12.250 -1.796 8.440 221 1HB GLU 52 1HB GLU 52 13.493 -2.750 5.875 222 2HB GLU 52 2HB GLU 52 14.481 -1.757 6.934 223 1HG GLU 52 1HG GLU 52 12.942 -4.062 8.115 224 2HG GLU 52 2HG GLU 52 14.401 -4.372 7.163 225 H ARG 53 H ARG 53 11.010 -0.391 5.641 226 HA ARG 53 HA ARG 53 12.374 2.226 6.160 227 1HB ARG 53 1HB ARG 53 11.436 0.862 3.629 228 2HB ARG 53 2HB ARG 53 11.372 2.609 3.732 229 1HG ARG 53 1HG ARG 53 13.389 1.898 2.640 230 2HG ARG 53 2HG ARG 53 13.772 2.777 4.116 231 1HD ARG 53 1HD ARG 53 13.621 -0.207 4.331 232 2HD ARG 53 2HD ARG 53 14.874 0.401 3.281 233 HE ARG 53 HE ARG 53 14.619 0.806 6.210 234 1HH1 ARG 53 1HH1 ARG 53 16.546 1.826 3.380 235 2HH1 ARG 53 2HH1 ARG 53 18.042 1.207 4.014 236 1HH2 ARG 53 1HH2 ARG 53 16.704 0.864 7.292 237 2HH2 ARG 53 2HH2 ARG 53 18.148 1.098 6.347 238 H VAL 54 H VAL 54 9.251 0.552 5.521 239 HA VAL 54 HA VAL 54 7.890 2.930 6.592 240 HB VAL 54 HB VAL 54 6.335 2.642 4.705 241 1HG1 VAL 54 1HG1 VAL 54 8.142 4.419 4.770 242 2HG1 VAL 54 2HG1 VAL 54 9.065 3.381 3.652 243 3HG1 VAL 54 3HG1 VAL 54 7.491 4.029 3.173 244 1HG2 VAL 54 1HG2 VAL 54 6.884 0.426 3.860 245 2HG2 VAL 54 2HG2 VAL 54 6.944 1.652 2.587 246 3HG2 VAL 54 3HG2 VAL 54 8.451 1.036 3.293 247 H VAL 55 H VAL 55 5.859 2.615 7.341 248 HA VAL 55 HA VAL 55 4.615 -0.034 7.135 249 HB VAL 55 HB VAL 55 3.905 0.072 9.518 250 1HG1 VAL 55 1HG1 VAL 55 5.709 -1.435 8.808 251 2HG1 VAL 55 2HG1 VAL 55 6.902 -0.170 9.143 252 3HG1 VAL 55 3HG1 VAL 55 5.941 -0.853 10.467 253 1HG2 VAL 55 1HG2 VAL 55 4.354 2.467 9.945 254 2HG2 VAL 55 2HG2 VAL 55 5.140 1.402 11.120 255 3HG2 VAL 55 3HG2 VAL 55 6.095 2.170 9.828 256 H ALA 56 H ALA 56 2.232 0.498 8.333 257 HA ALA 56 HA ALA 56 0.858 2.155 6.533 258 1HB ALA 56 1HB ALA 56 0.129 1.472 9.414 259 2HB ALA 56 2HB ALA 56 -0.981 2.104 8.198 260 3HB ALA 56 3HB ALA 56 -0.254 0.502 7.967 261 H ASP 57 H ASP 57 2.672 3.115 9.405 262 HA ASP 57 HA ASP 57 1.493 5.669 9.812 263 1HB ASP 57 1HB ASP 57 4.335 4.697 10.317 264 2HB ASP 57 2HB ASP 57 3.735 6.283 10.783 265 H ASP 58 H ASP 58 3.649 4.600 7.244 266 HA ASP 58 HA ASP 58 4.537 7.319 6.669 267 1HB ASP 58 1HB ASP 58 5.213 4.605 5.509 268 2HB ASP 58 2HB ASP 58 5.996 6.121 5.089 269 H PHE 59 H PHE 59 2.039 5.171 5.508 270 HA PHE 59 HA PHE 59 1.910 6.456 2.858 271 1HB PHE 59 1HB PHE 59 0.388 4.164 4.111 272 2HB PHE 59 2HB PHE 59 0.058 4.856 2.526 273 HD1 PHE 59 HD1 PHE 59 1.774 4.626 0.663 274 HD2 PHE 59 HD2 PHE 59 2.309 2.714 4.490 275 HE1 PHE 59 HE1 PHE 59 3.464 3.105 -0.324 276 HE2 PHE 59 HE2 PHE 59 4.060 1.268 3.527 277 HZ PHE 59 HZ PHE 59 4.624 1.431 1.105 278 H TYR 60 H TYR 60 1.070 8.435 3.020 279 HA TYR 60 HA TYR 60 -0.747 9.320 5.015 280 1HB TYR 60 1HB TYR 60 0.770 10.872 4.018 281 2HB TYR 60 2HB TYR 60 0.210 10.493 2.388 282 HD1 TYR 60 HD1 TYR 60 -1.145 11.726 5.689 283 HD2 TYR 60 HD2 TYR 60 -1.419 11.841 1.380 284 HE1 TYR 60 HE1 TYR 60 -3.049 13.271 5.862 285 HE2 TYR 60 HE2 TYR 60 -3.358 13.344 1.531 286 HH TYR 60 HH TYR 60 -4.806 14.506 2.955 287 H THR 61 H THR 61 -1.477 8.227 1.545 288 HA THR 61 HA THR 61 -4.127 9.355 1.875 289 HB THR 61 HB THR 61 -4.574 8.843 -0.248 290 HG1 THR 61 HG1 THR 61 -2.992 7.227 -1.362 291 1HG2 THR 61 1HG2 THR 61 -2.490 10.274 -0.108 292 2HG2 THR 61 2HG2 THR 61 -1.585 8.821 -0.575 293 3HG2 THR 61 3HG2 THR 61 -2.802 9.481 -1.664 294 H ARG 62 H ARG 62 -6.209 8.105 1.996 295 HA ARG 62 HA ARG 62 -5.934 5.945 3.884 296 1HB ARG 62 1HB ARG 62 -8.373 6.908 2.343 297 2HB ARG 62 2HB ARG 62 -8.367 5.494 3.389 298 1HG ARG 62 1HG ARG 62 -9.047 7.007 4.934 299 2HG ARG 62 2HG ARG 62 -7.315 7.086 5.197 300 1HD ARG 62 1HD ARG 62 -8.049 9.339 5.148 301 2HD ARG 62 2HD ARG 62 -7.312 9.091 3.555 302 HE ARG 62 HE ARG 62 -10.103 8.426 3.500 303 1HH1 ARG 62 1HH1 ARG 62 -8.032 11.332 3.576 304 2HH1 ARG 62 2HH1 ARG 62 -9.298 12.357 2.970 305 1HH2 ARG 62 1HH2 ARG 62 -11.676 9.726 2.797 306 2HH2 ARG 62 2HH2 ARG 62 -11.462 11.444 2.542 307 HA PRO 63 HA PRO 63 -6.840 2.886 0.379 308 1HB PRO 63 1HB PRO 63 -5.767 3.423 -2.133 309 2HB PRO 63 2HB PRO 63 -7.478 3.636 -1.677 310 1HG PRO 63 1HG PRO 63 -5.319 5.705 -1.770 311 2HG PRO 63 2HG PRO 63 -7.013 5.838 -2.322 312 1HD PRO 63 1HD PRO 63 -6.248 6.873 0.030 313 2HD PRO 63 2HD PRO 63 -7.833 6.062 -0.114 314 H HIS 64 H HIS 64 -3.869 4.929 -0.186 315 HA HIS 64 HA HIS 64 -2.153 2.686 -0.515 316 1HB HIS 64 1HB HIS 64 -1.612 5.559 0.337 317 2HB HIS 64 2HB HIS 64 -0.363 4.369 0.067 318 HD1 HIS 64 HD1 HIS 64 0.429 6.247 -1.839 319 HD2 HIS 64 HD2 HIS 64 -2.979 3.878 -2.605 320 HE1 HIS 64 HE1 HIS 64 0.081 6.228 -4.407 321 H ARG 65 H ARG 65 -3.163 4.467 2.458 322 HA ARG 65 HA ARG 65 -1.455 2.953 4.157 323 1HB ARG 65 1HB ARG 65 -2.841 5.164 4.609 324 2HB ARG 65 2HB ARG 65 -4.075 4.060 5.205 325 1HG ARG 65 1HG ARG 65 -2.435 3.011 6.697 326 2HG ARG 65 2HG ARG 65 -1.137 3.966 6.014 327 1HD ARG 65 1HD ARG 65 -2.162 4.523 8.366 328 2HD ARG 65 2HD ARG 65 -1.617 5.793 7.294 329 HE ARG 65 HE ARG 65 -4.405 5.125 8.011 330 1HH1 ARG 65 1HH1 ARG 65 -2.249 6.922 5.874 331 2HH1 ARG 65 2HH1 ARG 65 -3.367 8.165 5.483 332 1HH2 ARG 65 1HH2 ARG 65 -5.899 6.763 7.611 333 2HH2 ARG 65 2HH2 ARG 65 -5.516 8.154 6.597 334 H HIS 66 H HIS 66 -4.992 2.645 3.580 335 HA HIS 66 HA HIS 66 -5.362 0.468 5.203 336 1HB HIS 66 1HB HIS 66 -7.027 1.816 3.663 337 2HB HIS 66 2HB HIS 66 -6.753 0.504 2.514 338 HD1 HIS 66 HD1 HIS 66 -7.000 -2.080 4.123 339 HD2 HIS 66 HD2 HIS 66 -8.895 1.513 5.125 340 HE1 HIS 66 HE1 HIS 66 -8.780 -2.715 5.834 341 H ILE 67 H ILE 67 -4.265 0.437 1.804 342 HA ILE 67 HA ILE 67 -4.195 -2.325 1.407 343 HB ILE 67 HB ILE 67 -2.555 -0.046 0.269 344 1HG1 ILE 67 1HG1 ILE 67 -4.724 -1.773 -1.017 345 2HG1 ILE 67 2HG1 ILE 67 -5.112 -0.316 -0.142 346 1HG2 ILE 67 1HG2 ILE 67 -1.235 -2.179 -0.009 347 2HG2 ILE 67 2HG2 ILE 67 -2.608 -2.862 -0.905 348 3HG2 ILE 67 3HG2 ILE 67 -1.762 -1.454 -1.527 349 1HD1 ILE 67 1HD1 ILE 67 -3.466 0.921 -1.721 350 2HD1 ILE 67 2HD1 ILE 67 -3.572 -0.547 -2.726 351 3HD1 ILE 67 3HD1 ILE 67 -5.026 0.404 -2.373 352 H PHE 68 H PHE 68 -1.444 -0.202 2.575 353 HA PHE 68 HA PHE 68 0.216 -2.395 3.209 354 1HB PHE 68 1HB PHE 68 0.896 0.056 3.074 355 2HB PHE 68 2HB PHE 68 0.231 0.259 4.693 356 HD1 PHE 68 HD1 PHE 68 1.232 -1.120 6.633 357 HD2 PHE 68 HD2 PHE 68 2.970 -1.090 2.681 358 HE1 PHE 68 HE1 PHE 68 3.261 -2.216 7.517 359 HE2 PHE 68 HE2 PHE 68 4.999 -2.190 3.588 360 HZ PHE 68 HZ PHE 68 5.169 -2.725 5.997 361 H THR 69 H THR 69 -2.110 -0.689 5.287 362 HA THR 69 HA THR 69 -1.348 -1.925 7.741 363 HB THR 69 HB THR 69 -4.207 -1.088 7.114 364 HG1 THR 69 HG1 THR 69 -2.741 0.539 6.317 365 1HG2 THR 69 1HG2 THR 69 -3.577 -1.964 9.417 366 2HG2 THR 69 2HG2 THR 69 -2.505 -0.549 9.585 367 3HG2 THR 69 3HG2 THR 69 -4.255 -0.332 9.407 368 H GLU 70 H GLU 70 -3.899 -2.851 5.378 369 HA GLU 70 HA GLU 70 -4.712 -5.063 7.041 370 1HB GLU 70 1HB GLU 70 -6.064 -3.654 5.351 371 2HB GLU 70 2HB GLU 70 -5.262 -4.611 4.124 372 1HG GLU 70 1HG GLU 70 -7.416 -5.518 4.436 373 2HG GLU 70 2HG GLU 70 -6.270 -6.676 5.114 374 H MET 71 H MET 71 -2.338 -4.647 4.360 375 HA MET 71 HA MET 71 -1.793 -7.460 3.982 376 1HB MET 71 1HB MET 71 -0.044 -4.983 3.635 377 2HB MET 71 2HB MET 71 0.545 -6.624 3.427 378 1HG MET 71 1HG MET 71 -1.225 -6.970 1.658 379 2HG MET 71 2HG MET 71 -1.517 -5.226 1.736 380 1HE MET 71 1HE MET 71 -0.861 -6.093 -1.002 381 2HE MET 71 2HE MET 71 -0.733 -4.364 -0.580 382 3HE MET 71 3HE MET 71 0.566 -5.159 -1.487 383 H ALA 72 H ALA 72 -0.342 -4.931 6.119 384 HA ALA 72 HA ALA 72 1.520 -6.614 7.383 385 1HB ALA 72 1HB ALA 72 1.410 -4.075 7.591 386 2HB ALA 72 2HB ALA 72 0.039 -4.285 8.679 387 3HB ALA 72 3HB ALA 72 1.634 -4.932 9.121 388 H ARG 73 H ARG 73 -1.829 -5.787 8.338 389 HA ARG 73 HA ARG 73 -1.792 -7.565 10.570 390 1HB ARG 73 1HB ARG 73 -3.368 -5.509 9.820 391 2HB ARG 73 2HB ARG 73 -4.443 -6.837 9.377 392 1HG ARG 73 1HG ARG 73 -4.471 -7.635 11.669 393 2HG ARG 73 2HG ARG 73 -3.085 -6.611 12.116 394 1HD ARG 73 1HD ARG 73 -4.414 -4.581 11.690 395 2HD ARG 73 2HD ARG 73 -5.790 -5.584 11.218 396 HE ARG 73 HE ARG 73 -5.865 -6.477 13.505 397 1HH1 ARG 73 1HH1 ARG 73 -4.062 -3.381 13.234 398 2HH1 ARG 73 2HH1 ARG 73 -4.512 -2.874 14.814 399 1HH2 ARG 73 1HH2 ARG 73 -6.511 -5.760 15.431 400 2HH2 ARG 73 2HH2 ARG 73 -5.981 -4.247 16.127 401 H LEU 74 H LEU 74 -2.670 -8.289 7.112 402 HA LEU 74 HA LEU 74 -3.663 -10.917 7.638 403 1HB LEU 74 1HB LEU 74 -2.423 -9.430 5.290 404 2HB LEU 74 2HB LEU 74 -2.695 -11.143 5.190 405 HG LEU 74 HG LEU 74 -4.915 -9.243 5.963 406 1HD1 LEU 74 1HD1 LEU 74 -4.046 -8.529 3.771 407 2HD1 LEU 74 2HD1 LEU 74 -4.214 -10.179 3.144 408 3HD1 LEU 74 3HD1 LEU 74 -5.657 -9.251 3.617 409 1HD2 LEU 74 1HD2 LEU 74 -4.895 -12.049 4.752 410 2HD2 LEU 74 2HD2 LEU 74 -5.384 -11.627 6.409 411 3HD2 LEU 74 3HD2 LEU 74 -6.344 -11.076 5.031 412 H GLN 75 H GLN 75 -0.391 -9.711 6.727 413 HA GLN 75 HA GLN 75 0.832 -12.229 6.872 414 1HB GLN 75 1HB GLN 75 1.631 -9.846 6.024 415 2HB GLN 75 2HB GLN 75 2.171 -9.595 7.659 416 1HG GLN 75 1HG GLN 75 4.059 -10.279 6.452 417 2HG GLN 75 2HG GLN 75 3.621 -11.660 7.446 418 1HE2 GLN 75 2HE2 GLN 75 5.307 -11.884 5.226 419 2HE2 GLN 75 1HE2 GLN 75 4.514 -12.802 3.957 420 H GLU 76 H GLU 76 0.188 -9.848 9.354 421 HA GLU 76 HA GLU 76 1.505 -11.089 11.552 422 1HB GLU 76 1HB GLU 76 0.646 -8.768 11.587 423 2HB GLU 76 2HB GLU 76 -1.016 -9.388 11.585 424 1HG GLU 76 1HG GLU 76 -0.621 -10.491 13.747 425 2HG GLU 76 2HG GLU 76 1.060 -9.941 13.737 426 H SER 77 H SER 77 -1.651 -11.836 10.050 427 HA SER 77 HA SER 77 -2.068 -13.977 12.047 428 1HB SER 77 1HB SER 77 -4.255 -14.248 10.890 429 2HB SER 77 2HB SER 77 -4.007 -12.758 11.788 430 HG SER 77 HG SER 77 -4.952 -12.865 9.501 431 H GLY 78 H GLY 78 -0.035 -13.781 9.596 432 1HA GLY 78 1HA GLY 78 1.097 -15.411 8.470 433 2HA GLY 78 2HA GLY 78 0.100 -16.637 9.277 434 H SER 79 H SER 79 -1.317 -13.988 7.484 435 HA SER 79 HA SER 79 -2.531 -15.963 5.596 436 1HB SER 79 1HB SER 79 -3.597 -13.297 6.605 437 2HB SER 79 2HB SER 79 -4.445 -14.421 5.526 438 HG SER 79 HG SER 79 -3.484 -15.149 8.096 439 HA PRO 80 HA PRO 80 -0.162 -14.073 2.590 440 1HB PRO 80 1HB PRO 80 -1.702 -14.213 0.253 441 2HB PRO 80 2HB PRO 80 -0.789 -15.543 0.987 442 1HG PRO 80 1HG PRO 80 -3.726 -14.930 1.188 443 2HG PRO 80 2HG PRO 80 -2.941 -16.526 1.108 444 1HD PRO 80 1HD PRO 80 -3.885 -15.380 3.435 445 2HD PRO 80 2HD PRO 80 -2.517 -16.518 3.399 446 H ILE 81 H ILE 81 0.368 -12.170 1.637 447 HA ILE 81 HA ILE 81 -1.540 -9.923 1.819 448 HB ILE 81 HB ILE 81 0.426 -8.530 1.489 449 1HG1 ILE 81 1HG1 ILE 81 2.048 -11.093 1.224 450 2HG1 ILE 81 2HG1 ILE 81 1.742 -9.907 -0.041 451 1HG2 ILE 81 1HG2 ILE 81 -0.264 -9.428 3.736 452 2HG2 ILE 81 2HG2 ILE 81 0.991 -10.658 3.581 453 3HG2 ILE 81 3HG2 ILE 81 1.436 -8.942 3.645 454 1HD1 ILE 81 1HD1 ILE 81 2.924 -8.186 1.362 455 2HD1 ILE 81 2HD1 ILE 81 3.391 -9.492 2.479 456 3HD1 ILE 81 3HD1 ILE 81 3.952 -9.521 0.801 457 H ASP 82 H ASP 82 -1.705 -12.106 -0.187 458 HA ASP 82 HA ASP 82 -1.190 -11.032 -2.815 459 1HB ASP 82 1HB ASP 82 -2.957 -13.199 -1.642 460 2HB ASP 82 2HB ASP 82 -3.373 -12.598 -3.241 461 H LEU 83 H LEU 83 -2.544 -9.974 -4.178 462 HA LEU 83 HA LEU 83 -4.045 -7.800 -3.363 463 1HB LEU 83 1HB LEU 83 -3.253 -7.977 -5.605 464 2HB LEU 83 2HB LEU 83 -4.193 -9.430 -5.888 465 HG LEU 83 HG LEU 83 -6.284 -8.320 -5.834 466 1HD1 LEU 83 1HD1 LEU 83 -5.754 -6.550 -4.103 467 2HD1 LEU 83 2HD1 LEU 83 -4.799 -5.725 -5.349 468 3HD1 LEU 83 3HD1 LEU 83 -6.571 -6.006 -5.557 469 1HD2 LEU 83 1HD2 LEU 83 -4.984 -8.283 -7.895 470 2HD2 LEU 83 2HD2 LEU 83 -5.997 -6.814 -7.734 471 3HD2 LEU 83 3HD2 LEU 83 -4.251 -6.736 -7.411 472 H ILE 84 H ILE 84 -5.509 -10.953 -4.586 473 HA ILE 84 HA ILE 84 -8.032 -10.158 -4.148 474 HB ILE 84 HB ILE 84 -6.968 -13.012 -4.074 475 1HG1 ILE 84 1HG1 ILE 84 -7.303 -12.582 -6.692 476 2HG1 ILE 84 2HG1 ILE 84 -6.863 -10.960 -6.322 477 1HG2 ILE 84 1HG2 ILE 84 -9.428 -12.619 -3.844 478 2HG2 ILE 84 2HG2 ILE 84 -9.424 -11.750 -5.389 479 3HG2 ILE 84 3HG2 ILE 84 -9.016 -13.478 -5.337 480 1HD1 ILE 84 1HD1 ILE 84 -5.229 -13.490 -5.803 481 2HD1 ILE 84 2HD1 ILE 84 -5.029 -12.359 -7.158 482 3HD1 ILE 84 3HD1 ILE 84 -4.632 -11.842 -5.526 483 H THR 85 H THR 85 -5.931 -11.973 -1.889 484 HA THR 85 HA THR 85 -7.792 -12.405 0.135 485 HB THR 85 HB THR 85 -4.871 -11.705 0.610 486 HG1 THR 85 HG1 THR 85 -4.345 -13.692 -0.052 487 1HG2 THR 85 1HG2 THR 85 -6.307 -12.207 2.596 488 2HG2 THR 85 2HG2 THR 85 -6.725 -13.778 1.877 489 3HG2 THR 85 3HG2 THR 85 -5.051 -13.422 2.365 490 H LEU 86 H LEU 86 -5.613 -9.729 -0.432 491 HA LEU 86 HA LEU 86 -6.236 -8.103 1.772 492 1HB LEU 86 1HB LEU 86 -4.280 -7.955 0.110 493 2HB LEU 86 2HB LEU 86 -5.379 -7.174 -1.009 494 HG LEU 86 HG LEU 86 -5.813 -5.385 0.743 495 1HD1 LEU 86 1HD1 LEU 86 -3.524 -6.879 2.089 496 2HD1 LEU 86 2HD1 LEU 86 -3.960 -5.210 2.468 497 3HD1 LEU 86 3HD1 LEU 86 -5.117 -6.519 2.774 498 1HD2 LEU 86 1HD2 LEU 86 -2.998 -5.832 -0.305 499 2HD2 LEU 86 2HD2 LEU 86 -4.319 -4.971 -1.124 500 3HD2 LEU 86 3HD2 LEU 86 -3.605 -4.304 0.362 501 H ALA 87 H ALA 87 -7.489 -7.926 -1.563 502 HA ALA 87 HA ALA 87 -9.281 -5.768 -1.220 503 1HB ALA 87 1HB ALA 87 -8.507 -6.701 -3.397 504 2HB ALA 87 2HB ALA 87 -9.478 -8.152 -3.088 505 3HB ALA 87 3HB ALA 87 -10.279 -6.573 -3.284 506 H GLU 88 H GLU 88 -9.830 -9.319 -0.878 507 HA GLU 88 HA GLU 88 -12.598 -9.050 -0.199 508 1HB GLU 88 1HB GLU 88 -10.530 -11.195 0.389 509 2HB GLU 88 2HB GLU 88 -12.251 -11.381 0.732 510 1HG GLU 88 1HG GLU 88 -11.096 -10.876 -2.059 511 2HG GLU 88 2HG GLU 88 -11.476 -12.463 -1.402 512 H SER 89 H SER 89 -9.619 -8.897 1.759 513 HA SER 89 HA SER 89 -10.957 -8.833 4.288 514 1HB SER 89 1HB SER 89 -8.427 -9.249 3.551 515 2HB SER 89 2HB SER 89 -8.284 -7.526 3.853 516 HG SER 89 HG SER 89 -8.563 -7.930 5.995 517 H LEU 90 H LEU 90 -9.962 -6.344 1.944 518 HA LEU 90 HA LEU 90 -10.766 -4.021 3.419 519 1HB LEU 90 1HB LEU 90 -10.450 -4.674 0.495 520 2HB LEU 90 2HB LEU 90 -11.208 -3.172 0.958 521 HG LEU 90 HG LEU 90 -8.571 -3.878 2.197 522 1HD1 LEU 90 1HD1 LEU 90 -9.015 -2.901 -0.641 523 2HD1 LEU 90 2HD1 LEU 90 -7.468 -2.698 0.212 524 3HD1 LEU 90 3HD1 LEU 90 -8.083 -4.319 -0.108 525 1HD2 LEU 90 1HD2 LEU 90 -9.890 -1.263 1.282 526 2HD2 LEU 90 2HD2 LEU 90 -9.710 -1.833 2.947 527 3HD2 LEU 90 3HD2 LEU 90 -8.283 -1.388 1.998 528 H GLU 91 H GLU 91 -12.675 -6.215 1.164 529 HA GLU 91 HA GLU 91 -15.057 -4.775 1.579 530 1HB GLU 91 1HB GLU 91 -14.196 -6.929 -0.027 531 2HB GLU 91 2HB GLU 91 -15.337 -7.701 1.092 532 1HG GLU 91 1HG GLU 91 -16.906 -5.767 0.624 533 2HG GLU 91 2HG GLU 91 -15.784 -5.249 -0.641 534 H ARG 92 H ARG 92 -13.648 -7.497 3.399 535 HA ARG 92 HA ARG 92 -15.847 -7.798 5.205 536 1HB ARG 92 1HB ARG 92 -12.858 -8.276 5.511 537 2HB ARG 92 2HB ARG 92 -13.995 -8.651 6.788 538 1HG ARG 92 1HG ARG 92 -14.611 -9.719 4.027 539 2HG ARG 92 2HG ARG 92 -13.263 -10.441 4.886 540 1HD ARG 92 1HD ARG 92 -15.950 -10.130 6.273 541 2HD ARG 92 2HD ARG 92 -15.662 -11.442 5.132 542 HE ARG 92 HE ARG 92 -13.983 -12.346 6.436 543 1HH1 ARG 92 1HH1 ARG 92 -15.608 -9.729 8.291 544 2HH1 ARG 92 2HH1 ARG 92 -14.851 -10.206 9.777 545 1HH2 ARG 92 1HH2 ARG 92 -13.055 -12.910 8.355 546 2HH2 ARG 92 2HH2 ARG 92 -13.229 -11.893 9.771 547 H GLN 93 H GLN 93 -13.084 -5.562 5.213 548 HA GLN 93 HA GLN 93 -13.853 -4.131 7.598 549 1HB GLN 93 1HB GLN 93 -12.025 -3.510 5.244 550 2HB GLN 93 2HB GLN 93 -12.206 -2.421 6.601 551 1HG GLN 93 1HG GLN 93 -11.493 -5.290 7.231 552 2HG GLN 93 2HG GLN 93 -10.276 -4.279 6.466 553 1HE2 GLN 93 2HE2 GLN 93 -8.911 -3.468 8.012 554 2HE2 GLN 93 1HE2 GLN 93 -9.450 -2.708 9.516 555 H GLY 94 H GLY 94 -15.261 -4.079 4.365 556 1HA GLY 94 1HA GLY 94 -16.936 -2.773 3.540 557 2HA GLY 94 2HA GLY 94 -17.053 -1.937 5.089 558 H GLN 95 H GLN 95 -13.977 -2.132 3.449 559 HA GLN 95 HA GLN 95 -13.990 0.797 2.862 560 1HB GLN 95 1HB GLN 95 -12.007 -1.133 4.032 561 2HB GLN 95 2HB GLN 95 -11.362 0.154 3.045 562 1HG GLN 95 1HG GLN 95 -13.363 0.858 5.209 563 2HG GLN 95 2HG GLN 95 -11.723 0.441 5.665 564 1HE2 GLN 95 2HE2 GLN 95 -12.375 2.925 6.419 565 2HE2 GLN 95 1HE2 GLN 95 -11.508 4.070 5.409 566 H LEU 96 H LEU 96 -14.004 -2.254 1.290 567 HA LEU 96 HA LEU 96 -12.056 -1.978 -0.657 568 1HB LEU 96 1HB LEU 96 -13.385 -4.009 -0.315 569 2HB LEU 96 2HB LEU 96 -14.772 -3.227 -1.088 570 HG LEU 96 HG LEU 96 -13.512 -3.052 -3.208 571 1HD1 LEU 96 1HD1 LEU 96 -11.240 -4.352 -1.661 572 2HD1 LEU 96 2HD1 LEU 96 -11.320 -4.299 -3.422 573 3HD1 LEU 96 3HD1 LEU 96 -11.208 -2.786 -2.509 574 1HD2 LEU 96 1HD2 LEU 96 -14.794 -5.091 -2.714 575 2HD2 LEU 96 2HD2 LEU 96 -13.389 -5.449 -3.717 576 3HD2 LEU 96 3HD2 LEU 96 -13.354 -5.836 -1.986 577 H ASP 97 H ASP 97 -15.429 -0.727 -0.906 578 HA ASP 97 HA ASP 97 -15.095 0.431 -3.508 579 1HB ASP 97 1HB ASP 97 -17.293 0.072 -2.680 580 2HB ASP 97 2HB ASP 97 -16.984 1.017 -1.222 581 H SER 98 H SER 98 -14.691 1.747 -0.198 582 HA SER 98 HA SER 98 -14.154 4.415 -0.832 583 1HB SER 98 1HB SER 98 -12.799 2.834 1.381 584 2HB SER 98 2HB SER 98 -13.038 4.579 1.313 585 HG SER 98 HG SER 98 -15.118 2.625 1.425 586 H VAL 99 H VAL 99 -11.908 1.623 -0.995 587 HA VAL 99 HA VAL 99 -9.653 3.459 -1.481 588 HB VAL 99 HB VAL 99 -8.234 1.526 -1.307 589 1HG1 VAL 99 1HG1 VAL 99 -9.037 2.739 0.751 590 2HG1 VAL 99 2HG1 VAL 99 -10.259 1.486 0.968 591 3HG1 VAL 99 3HG1 VAL 99 -8.545 1.058 1.032 592 1HG2 VAL 99 1HG2 VAL 99 -9.732 -0.191 -2.328 593 2HG2 VAL 99 2HG2 VAL 99 -8.978 -0.673 -0.802 594 3HG2 VAL 99 3HG2 VAL 99 -10.681 -0.190 -0.828 595 H GLY 100 H GLY 100 -12.043 2.278 -3.430 596 1HA GLY 100 1HA GLY 100 -11.834 3.109 -5.692 597 2HA GLY 100 2HA GLY 100 -10.258 2.371 -5.823 598 H GLY 101 H GLY 101 -12.697 0.463 -4.194 599 1HA GLY 101 1HA GLY 101 -14.118 -1.180 -4.805 600 2HA GLY 101 2HA GLY 101 -14.256 -0.360 -6.369 601 H PHE 102 H PHE 102 -11.639 -2.212 -4.806 602 HA PHE 102 HA PHE 102 -10.295 -3.880 -5.439 603 1HB PHE 102 1HB PHE 102 -12.554 -5.081 -5.826 604 2HB PHE 102 2HB PHE 102 -12.225 -4.884 -7.534 605 HD1 PHE 102 HD1 PHE 102 -9.506 -5.604 -8.080 606 HD2 PHE 102 HD2 PHE 102 -12.123 -7.261 -5.066 607 HE1 PHE 102 HE1 PHE 102 -8.053 -7.569 -7.887 608 HE2 PHE 102 HE2 PHE 102 -10.691 -9.258 -4.942 609 HZ PHE 102 HZ PHE 102 -8.568 -9.384 -6.285 610 H ALA 103 H ALA 103 -11.792 -2.552 -8.421 611 HA ALA 103 HA ALA 103 -9.798 -3.153 -10.191 612 1HB ALA 103 1HB ALA 103 -11.585 -0.693 -10.151 613 2HB ALA 103 2HB ALA 103 -10.708 -1.309 -11.573 614 3HB ALA 103 3HB ALA 103 -11.985 -2.286 -10.837 615 H TYR 104 H TYR 104 -9.869 -0.249 -8.053 616 HA TYR 104 HA TYR 104 -7.502 0.943 -9.163 617 1HB TYR 104 1HB TYR 104 -9.058 2.095 -7.665 618 2HB TYR 104 2HB TYR 104 -8.589 1.029 -6.333 619 HD1 TYR 104 HD1 TYR 104 -7.413 3.716 -8.624 620 HD2 TYR 104 HD2 TYR 104 -6.572 1.447 -5.051 621 HE1 TYR 104 HE1 TYR 104 -5.699 5.380 -7.972 622 HE2 TYR 104 HE2 TYR 104 -4.807 3.076 -4.428 623 HH TYR 104 HH TYR 104 -4.801 6.117 -5.612 624 H LEU 105 H LEU 105 -7.900 -1.632 -6.739 625 HA LEU 105 HA LEU 105 -5.129 -1.648 -5.826 626 1HB LEU 105 1HB LEU 105 -7.067 -3.970 -5.794 627 2HB LEU 105 2HB LEU 105 -5.714 -3.667 -4.706 628 HG LEU 105 HG LEU 105 -8.332 -2.095 -4.762 629 1HD1 LEU 105 1HD1 LEU 105 -8.550 -4.465 -4.051 630 2HD1 LEU 105 2HD1 LEU 105 -7.333 -4.189 -2.789 631 3HD1 LEU 105 3HD1 LEU 105 -8.882 -3.314 -2.759 632 1HD2 LEU 105 1HD2 LEU 105 -5.949 -2.035 -2.872 633 2HD2 LEU 105 2HD2 LEU 105 -6.477 -0.719 -3.943 634 3HD2 LEU 105 3HD2 LEU 105 -7.490 -1.206 -2.578 635 H ALA 106 H ALA 106 -7.136 -3.393 -8.176 636 HA ALA 106 HA ALA 106 -5.095 -5.166 -9.118 637 1HB ALA 106 1HB ALA 106 -7.548 -5.520 -9.420 638 2HB ALA 106 2HB ALA 106 -7.578 -4.148 -10.547 639 3HB ALA 106 3HB ALA 106 -6.658 -5.615 -10.941 640 H GLU 107 H GLU 107 -6.025 -1.857 -10.007 641 HA GLU 107 HA GLU 107 -4.226 -1.594 -12.210 642 1HB GLU 107 1HB GLU 107 -6.012 -0.065 -11.950 643 2HB GLU 107 2HB GLU 107 -5.500 0.450 -10.356 644 1HG GLU 107 1HG GLU 107 -3.924 1.894 -11.132 645 2HG GLU 107 2HG GLU 107 -3.424 0.823 -12.441 646 H LEU 108 H LEU 108 -3.771 -0.871 -8.666 647 HA LEU 108 HA LEU 108 -1.057 -0.087 -8.911 648 1HB LEU 108 1HB LEU 108 -2.096 -1.762 -6.582 649 2HB LEU 108 2HB LEU 108 -0.675 -0.742 -6.634 650 HG LEU 108 HG LEU 108 -3.569 0.033 -6.337 651 1HD1 LEU 108 1HD1 LEU 108 -2.041 -0.355 -4.392 652 2HD1 LEU 108 2HD1 LEU 108 -1.028 0.984 -4.962 653 3HD1 LEU 108 3HD1 LEU 108 -2.701 1.294 -4.460 654 1HD2 LEU 108 1HD2 LEU 108 -1.374 1.792 -7.443 655 2HD2 LEU 108 2HD2 LEU 108 -2.997 1.549 -8.095 656 3HD2 LEU 108 3HD2 LEU 108 -2.792 2.458 -6.596 657 H SER 109 H SER 109 -2.436 -3.320 -8.431 658 HA SER 109 HA SER 109 -0.095 -4.859 -8.340 659 1HB SER 109 1HB SER 109 -2.260 -5.729 -7.765 660 2HB SER 109 2HB SER 109 -2.894 -5.431 -9.379 661 HG SER 109 HG SER 109 -0.762 -7.213 -8.828 662 H LYS 110 H LYS 110 -2.062 -3.819 -11.171 663 HA LYS 110 HA LYS 110 -0.272 -5.123 -13.050 664 1HB LYS 110 1HB LYS 110 -2.736 -4.814 -13.303 665 2HB LYS 110 2HB LYS 110 -2.469 -3.098 -13.643 666 1HG LYS 110 1HG LYS 110 -1.276 -3.622 -15.675 667 2HG LYS 110 2HG LYS 110 -1.155 -5.337 -15.262 668 1HD LYS 110 1HD LYS 110 -3.792 -3.889 -15.729 669 2HD LYS 110 2HD LYS 110 -2.910 -4.709 -17.010 670 1HE LYS 110 1HE LYS 110 -3.802 -6.116 -14.460 671 2HE LYS 110 2HE LYS 110 -4.825 -6.005 -15.887 672 1HZ LYS 110 1HZ LYS 110 -2.140 -7.253 -15.939 673 2HZ LYS 110 2HZ LYS 110 -3.536 -8.069 -15.696 674 3HZ LYS 110 3HZ LYS 110 -3.276 -7.269 -17.122 675 H ASN 111 H ASN 111 -0.207 -2.054 -11.520 676 HA ASN 111 HA ASN 111 1.706 -0.921 -13.477 677 1HB ASN 111 1HB ASN 111 0.396 0.271 -10.984 678 2HB ASN 111 2HB ASN 111 1.539 1.124 -12.018 679 1HD2 ASN 111 2HD2 ASN 111 -0.385 2.644 -11.896 680 2HD2 ASN 111 1HD2 ASN 111 -1.545 2.515 -13.203 681 H THR 112 H THR 112 2.204 -3.178 -11.647 682 HA THR 112 HA THR 112 4.312 -2.171 -9.842 683 HB THR 112 HB THR 112 3.236 -4.961 -10.317 684 HG1 THR 112 HG1 THR 112 1.902 -3.270 -9.270 685 1HG2 THR 112 1HG2 THR 112 5.125 -3.888 -8.176 686 2HG2 THR 112 2HG2 THR 112 4.402 -5.520 -8.249 687 3HG2 THR 112 3HG2 THR 112 5.565 -5.016 -9.475 688 HA PRO 113 HA PRO 113 7.240 -3.204 -13.206 689 1HB PRO 113 1HB PRO 113 9.468 -2.048 -12.230 690 2HB PRO 113 2HB PRO 113 8.077 -1.066 -12.748 691 1HG PRO 113 1HG PRO 113 8.713 -1.959 -9.906 692 2HG PRO 113 2HG PRO 113 8.395 -0.291 -10.491 693 1HD PRO 113 1HD PRO 113 6.445 -1.885 -9.419 694 2HD PRO 113 2HD PRO 113 6.097 -0.728 -10.741 695 H SER 114 H SER 114 6.411 -5.331 -11.838 696 HA SER 114 HA SER 114 6.743 -7.246 -10.807 697 1HB SER 114 1HB SER 114 8.374 -7.320 -12.812 698 2HB SER 114 2HB SER 114 9.649 -7.329 -11.592 699 HG SER 114 HG SER 114 8.730 -9.188 -10.700 700 H ALA 115 H ALA 115 10.083 -6.190 -10.020 701 HA ALA 115 HA ALA 115 9.303 -5.626 -7.243 702 1HB ALA 115 1HB ALA 115 9.863 -8.023 -7.229 703 2HB ALA 115 2HB ALA 115 11.457 -7.660 -7.940 704 3HB ALA 115 3HB ALA 115 11.032 -7.073 -6.318 705 H ALA 116 H ALA 116 10.424 -4.205 -9.773 706 HA ALA 116 HA ALA 116 13.098 -3.770 -9.786 707 1HB ALA 116 1HB ALA 116 11.601 -2.910 -11.516 708 2HB ALA 116 2HB ALA 116 10.972 -1.690 -10.378 709 3HB ALA 116 3HB ALA 116 12.654 -1.632 -10.896 710 H ASN 117 H ASN 117 14.286 -3.471 -8.041 711 HA ASN 117 HA ASN 117 15.298 -2.488 -6.235 712 1HB ASN 117 1HB ASN 117 14.442 0.084 -7.579 713 2HB ASN 117 2HB ASN 117 15.846 -0.187 -6.541 714 1HD2 ASN 117 2HD2 ASN 117 15.685 0.768 -9.473 715 2HD2 ASN 117 1HD2 ASN 117 16.724 -0.385 -10.292 716 H ILE 118 H ILE 118 12.535 -3.239 -5.761 717 HA ILE 118 HA ILE 118 11.094 -1.133 -4.763 718 HB ILE 118 HB ILE 118 10.794 -4.080 -4.586 719 1HG1 ILE 118 1HG1 ILE 118 9.219 -1.660 -5.601 720 2HG1 ILE 118 2HG1 ILE 118 10.112 -2.835 -6.555 721 1HG2 ILE 118 1HG2 ILE 118 10.142 -3.402 -2.285 722 2HG2 ILE 118 2HG2 ILE 118 9.009 -2.220 -2.964 723 3HG2 ILE 118 3HG2 ILE 118 8.769 -3.967 -3.220 724 1HD1 ILE 118 1HD1 ILE 118 8.407 -4.572 -5.627 725 2HD1 ILE 118 2HD1 ILE 118 7.513 -3.136 -5.089 726 3HD1 ILE 118 3HD1 ILE 118 7.823 -3.377 -6.818 727 H SER 119 H SER 119 13.534 -2.920 -2.897 728 HA SER 119 HA SER 119 12.988 -1.829 -0.385 729 1HB SER 119 1HB SER 119 15.768 -2.125 -1.553 730 2HB SER 119 2HB SER 119 15.243 -2.383 0.120 731 HG SER 119 HG SER 119 15.576 -4.320 -0.943 732 H ALA 120 H ALA 120 14.854 -0.506 -3.034 733 HA ALA 120 HA ALA 120 15.637 1.965 -1.751 734 1HB ALA 120 1HB ALA 120 16.906 0.840 -3.606 735 2HB ALA 120 2HB ALA 120 15.584 1.252 -4.717 736 3HB ALA 120 3HB ALA 120 16.527 2.537 -3.944 737 H TYR 121 H TYR 121 12.917 0.953 -3.789 738 HA TYR 121 HA TYR 121 11.760 3.583 -4.148 739 1HB TYR 121 1HB TYR 121 10.732 0.764 -4.382 740 2HB TYR 121 2HB TYR 121 9.616 2.076 -4.308 741 HD1 TYR 121 HD1 TYR 121 12.895 1.949 -6.224 742 HD2 TYR 121 HD2 TYR 121 8.583 2.172 -6.324 743 HE1 TYR 121 HE1 TYR 121 12.972 2.412 -8.643 744 HE2 TYR 121 HE2 TYR 121 8.654 2.582 -8.761 745 HH TYR 121 HH TYR 121 11.669 3.288 -10.455 746 H ALA 122 H ALA 122 11.255 0.948 -1.692 747 HA ALA 122 HA ALA 122 9.267 2.381 -0.209 748 1HB ALA 122 1HB ALA 122 11.270 0.250 0.661 749 2HB ALA 122 2HB ALA 122 9.892 0.825 1.615 750 3HB ALA 122 3HB ALA 122 9.608 0.006 0.068 751 H ASP 123 H ASP 123 12.840 2.389 -0.144 752 HA ASP 123 HA ASP 123 13.157 4.138 2.040 753 1HB ASP 123 1HB ASP 123 14.854 2.931 0.237 754 2HB ASP 123 2HB ASP 123 15.034 4.631 -0.197 755 H ILE 124 H ILE 124 12.475 4.895 -1.396 756 HA ILE 124 HA ILE 124 12.516 7.737 -1.023 757 HB ILE 124 HB ILE 124 11.273 5.935 -3.103 758 1HG1 ILE 124 1HG1 ILE 124 13.430 8.042 -3.442 759 2HG1 ILE 124 2HG1 ILE 124 13.802 6.443 -2.816 760 1HG2 ILE 124 1HG2 ILE 124 9.759 7.871 -3.017 761 2HG2 ILE 124 2HG2 ILE 124 11.147 8.973 -3.175 762 3HG2 ILE 124 3HG2 ILE 124 10.711 7.861 -4.491 763 1HD1 ILE 124 1HD1 ILE 124 12.794 5.405 -4.852 764 2HD1 ILE 124 2HD1 ILE 124 12.574 7.042 -5.518 765 3HD1 ILE 124 3HD1 ILE 124 14.202 6.413 -5.179 766 H VAL 125 H VAL 125 9.866 5.313 -0.601 767 HA VAL 125 HA VAL 125 7.862 7.293 -0.036 768 HB VAL 125 HB VAL 125 7.995 4.430 0.996 769 1HG1 VAL 125 1HG1 VAL 125 5.659 6.384 0.723 770 2HG1 VAL 125 2HG1 VAL 125 5.522 4.674 1.199 771 3HG1 VAL 125 3HG1 VAL 125 6.354 5.822 2.241 772 1HG2 VAL 125 1HG2 VAL 125 6.807 5.570 -1.560 773 2HG2 VAL 125 2HG2 VAL 125 8.067 4.340 -1.413 774 3HG2 VAL 125 3HG2 VAL 125 6.431 3.954 -0.909 775 H ARG 126 H ARG 126 10.037 5.427 2.121 776 HA ARG 126 HA ARG 126 9.385 6.559 4.612 777 1HB ARG 126 1HB ARG 126 10.748 4.646 4.398 778 2HB ARG 126 2HB ARG 126 11.931 5.425 3.402 779 1HG ARG 126 1HG ARG 126 11.605 6.513 6.187 780 2HG ARG 126 2HG ARG 126 12.239 4.877 6.007 781 1HD ARG 126 1HD ARG 126 13.885 5.891 4.269 782 2HD ARG 126 2HD ARG 126 13.487 7.435 5.021 783 HE ARG 126 HE ARG 126 14.055 6.224 7.211 784 1HH1 ARG 126 1HH1 ARG 126 15.833 5.327 4.176 785 2HH1 ARG 126 2HH1 ARG 126 17.239 4.862 5.050 786 1HH2 ARG 126 1HH2 ARG 126 15.980 5.663 8.266 787 2HH2 ARG 126 2HH2 ARG 126 17.266 4.911 7.386 788 H GLU 127 H GLU 127 11.903 7.661 2.301 789 HA GLU 127 HA GLU 127 12.692 9.930 3.724 790 1HB GLU 127 1HB GLU 127 13.638 8.701 1.670 791 2HB GLU 127 2HB GLU 127 12.596 9.705 0.692 792 1HG GLU 127 1HG GLU 127 13.756 11.701 1.363 793 2HG GLU 127 2HG GLU 127 14.550 10.874 2.720 794 H ARG 128 H ARG 128 10.187 9.552 1.237 795 HA ARG 128 HA ARG 128 9.413 12.338 1.181 796 1HB ARG 128 1HB ARG 128 7.947 9.800 0.366 797 2HB ARG 128 2HB ARG 128 7.221 11.400 0.195 798 1HG ARG 128 1HG ARG 128 9.946 10.801 -1.004 799 2HG ARG 128 2HG ARG 128 8.460 10.367 -1.851 800 1HD ARG 128 1HD ARG 128 7.775 12.606 -2.087 801 2HD ARG 128 2HD ARG 128 8.843 13.182 -0.806 802 HE ARG 128 HE ARG 128 10.764 12.620 -2.286 803 1HH1 ARG 128 1HH1 ARG 128 7.663 13.292 -4.018 804 2HH1 ARG 128 2HH1 ARG 128 8.440 14.440 -5.049 805 1HH2 ARG 128 1HH2 ARG 128 11.736 13.617 -4.034 806 2HH2 ARG 128 2HH2 ARG 128 10.760 14.231 -5.329 807 H ALA 129 H ALA 129 8.340 9.599 3.236 808 HA ALA 129 HA ALA 129 6.298 11.053 4.602 809 1HB ALA 129 1HB ALA 129 6.523 8.574 4.584 810 2HB ALA 129 2HB ALA 129 7.954 8.713 5.629 811 3HB ALA 129 3HB ALA 129 6.378 9.258 6.203 812 H VAL 130 H VAL 130 9.778 10.512 5.274 813 HA VAL 130 HA VAL 130 10.044 12.075 7.599 814 HB VAL 130 HB VAL 130 11.929 11.199 5.400 815 1HG1 VAL 130 1HG1 VAL 130 12.664 12.759 7.887 816 2HG1 VAL 130 2HG1 VAL 130 13.807 11.758 6.958 817 3HG1 VAL 130 3HG1 VAL 130 13.025 13.137 6.185 818 1HG2 VAL 130 1HG2 VAL 130 10.986 9.448 6.924 819 2HG2 VAL 130 2HG2 VAL 130 12.732 9.623 7.071 820 3HG2 VAL 130 3HG2 VAL 130 11.644 10.327 8.292 821 H VAL 131 H VAL 131 10.268 13.092 4.168 822 HA VAL 131 HA VAL 131 10.665 15.890 4.773 823 HB VAL 131 HB VAL 131 9.679 14.385 2.325 824 1HG1 VAL 131 1HG1 VAL 131 8.706 16.674 2.195 825 2HG1 VAL 131 2HG1 VAL 131 10.309 17.354 2.466 826 3HG1 VAL 131 3HG1 VAL 131 9.976 16.413 0.993 827 1HG2 VAL 131 1HG2 VAL 131 12.104 14.140 2.970 828 2HG2 VAL 131 2HG2 VAL 131 11.880 14.923 1.403 829 3HG2 VAL 131 3HG2 VAL 131 12.286 15.887 2.836 830 H ARG 132 H ARG 132 7.741 13.860 4.468 831 HA ARG 132 HA ARG 132 5.901 16.052 4.370 832 1HB ARG 132 1HB ARG 132 5.138 13.955 3.549 833 2HB ARG 132 2HB ARG 132 5.685 13.071 4.943 834 1HG ARG 132 1HG ARG 132 3.419 15.028 5.211 835 2HG ARG 132 2HG ARG 132 3.152 13.420 4.570 836 1HD ARG 132 1HD ARG 132 4.613 13.674 7.218 837 2HD ARG 132 2HD ARG 132 2.880 13.941 7.149 838 HE ARG 132 HE ARG 132 2.510 11.760 6.360 839 1HH1 ARG 132 1HH1 ARG 132 5.911 12.068 7.613 840 2HH1 ARG 132 2HH1 ARG 132 5.832 10.465 8.270 841 1HH2 ARG 132 1HH2 ARG 132 2.707 9.561 7.093 842 2HH2 ARG 132 2HH2 ARG 132 4.153 9.093 7.893 843 H GLU 133 H GLU 133 7.591 14.597 7.031 844 HA GLU 133 HA GLU 133 5.902 16.104 8.945 845 1HB GLU 133 1HB GLU 133 7.086 14.883 10.686 846 2HB GLU 133 2HB GLU 133 6.296 13.859 9.483 847 1HG GLU 133 1HG GLU 133 8.534 13.531 8.393 848 2HG GLU 133 2HG GLU 133 9.274 14.345 9.774 849 H MET 134 H MET 134 9.313 15.849 7.935 850 HA MET 134 HA MET 134 9.960 18.453 9.170 851 1HB MET 134 1HB MET 134 11.654 16.612 7.453 852 2HB MET 134 2HB MET 134 12.210 18.078 8.266 853 1HG MET 134 1HG MET 134 11.586 17.075 10.460 854 2HG MET 134 2HG MET 134 11.195 15.565 9.624 855 1HE MET 134 1HE MET 134 12.793 14.298 11.268 856 2HE MET 134 2HE MET 134 14.508 14.705 11.518 857 3HE MET 134 3HE MET 134 13.239 15.818 12.066 858 H ILE 135 H ILE 135 7.876 18.854 7.457 859 HA ILE 135 HA ILE 135 8.609 19.756 4.873 860 HB ILE 135 HB ILE 135 6.601 21.324 6.495 861 1HG1 ILE 135 1HG1 ILE 135 5.929 18.588 5.335 862 2HG1 ILE 135 2HG1 ILE 135 6.133 18.908 7.062 863 1HG2 ILE 135 1HG2 ILE 135 7.134 21.907 4.135 864 2HG2 ILE 135 2HG2 ILE 135 6.631 20.280 3.623 865 3HG2 ILE 135 3HG2 ILE 135 5.459 21.415 4.324 866 1HD1 ILE 135 1HD1 ILE 135 4.301 20.562 7.014 867 2HD1 ILE 135 2HD1 ILE 135 3.985 20.128 5.321 868 3HD1 ILE 135 3HD1 ILE 135 3.793 18.917 6.597 869 H SER 136 H SER 136 8.821 21.209 8.055 870 HA SER 136 HA SER 136 9.822 23.024 8.954 871 1HB SER 136 1HB SER 136 12.053 22.370 7.058 872 2HB SER 136 2HB SER 136 12.166 23.038 8.679 873 HG SER 136 HG SER 136 12.479 20.623 8.231 Start of MODEL 20 1 1H MET 23 1H MET 23 -3.867 12.398 -3.912 2 2H MET 23 2H MET 23 -5.181 11.810 -3.116 3 3H MET 23 3H MET 23 -4.497 10.934 -4.335 4 HA MET 23 HA MET 23 -5.117 12.541 -5.954 5 1HB MET 23 1HB MET 23 -6.776 10.753 -5.380 6 2HB MET 23 2HB MET 23 -7.468 11.805 -4.145 7 1HG MET 23 1HG MET 23 -7.885 13.524 -5.976 8 2HG MET 23 2HG MET 23 -7.395 12.296 -7.145 9 1HE MET 23 1HE MET 23 -10.034 13.904 -7.348 10 2HE MET 23 2HE MET 23 -9.569 12.608 -8.472 11 3HE MET 23 3HE MET 23 -11.197 12.622 -7.763 12 H LYS 24 H LYS 24 -4.319 14.608 -5.724 13 HA LYS 24 HA LYS 24 -3.707 16.524 -4.761 14 1HB LYS 24 1HB LYS 24 -6.075 17.165 -5.132 15 2HB LYS 24 2HB LYS 24 -6.484 16.641 -3.512 16 1HG LYS 24 1HG LYS 24 -4.282 18.631 -3.624 17 2HG LYS 24 2HG LYS 24 -5.773 19.191 -4.348 18 1HD LYS 24 1HD LYS 24 -5.611 18.056 -1.524 19 2HD LYS 24 2HD LYS 24 -5.535 19.769 -1.951 20 1HE LYS 24 1HE LYS 24 -7.786 19.363 -3.201 21 2HE LYS 24 2HE LYS 24 -7.864 17.839 -2.304 22 1HZ LYS 24 1HZ LYS 24 -7.644 19.201 -0.262 23 2HZ LYS 24 2HZ LYS 24 -7.750 20.564 -1.177 24 3HZ LYS 24 3HZ LYS 24 -9.025 19.520 -1.107 25 H VAL 25 H VAL 25 -3.336 17.439 -2.434 26 HA VAL 25 HA VAL 25 -2.505 17.256 -0.371 27 HB VAL 25 HB VAL 25 -4.293 15.020 -0.266 28 1HG1 VAL 25 1HG1 VAL 25 -1.639 14.297 1.019 29 2HG1 VAL 25 2HG1 VAL 25 -3.204 13.514 1.310 30 3HG1 VAL 25 3HG1 VAL 25 -2.470 13.437 -0.290 31 1HG2 VAL 25 1HG2 VAL 25 -4.384 16.998 1.100 32 2HG2 VAL 25 2HG2 VAL 25 -4.390 15.512 2.050 33 3HG2 VAL 25 3HG2 VAL 25 -2.921 16.505 1.972 34 HA PRO 26 HA PRO 26 1.358 16.845 -1.880 35 1HB PRO 26 1HB PRO 26 3.064 16.066 0.182 36 2HB PRO 26 2HB PRO 26 2.400 17.700 -0.122 37 1HG PRO 26 1HG PRO 26 1.332 15.561 1.735 38 2HG PRO 26 2HG PRO 26 1.549 17.311 2.064 39 1HD PRO 26 1HD PRO 26 -0.859 16.334 1.399 40 2HD PRO 26 2HD PRO 26 -0.316 17.880 0.697 41 HA PRO 27 HA PRO 27 1.683 12.447 -2.993 42 1HB PRO 27 1HB PRO 27 2.829 12.725 -5.451 43 2HB PRO 27 2HB PRO 27 1.091 13.033 -5.149 44 1HG PRO 27 1HG PRO 27 3.343 15.051 -5.307 45 2HG PRO 27 2HG PRO 27 1.726 15.125 -6.074 46 1HD PRO 27 1HD PRO 27 2.332 16.392 -3.719 47 2HD PRO 27 2HD PRO 27 0.700 15.761 -4.077 48 H HIS 28 H HIS 28 3.101 11.905 -1.442 49 HA HIS 28 HA HIS 28 5.941 12.546 -1.390 50 1HB HIS 28 1HB HIS 28 5.790 10.808 0.503 51 2HB HIS 28 2HB HIS 28 4.975 12.348 0.725 52 HD1 HIS 28 HD1 HIS 28 2.113 12.139 0.171 53 HD2 HIS 28 HD2 HIS 28 4.452 8.730 1.111 54 HE1 HIS 28 HE1 HIS 28 0.507 10.292 0.825 55 H SER 29 H SER 29 5.781 11.895 -3.764 56 HA SER 29 HA SER 29 5.915 10.539 -5.536 57 1HB SER 29 1HB SER 29 7.743 8.944 -3.723 58 2HB SER 29 2HB SER 29 7.697 8.903 -5.502 59 HG SER 29 HG SER 29 9.113 10.457 -5.282 60 H ILE 30 H ILE 30 3.622 10.274 -4.835 61 HA ILE 30 HA ILE 30 2.541 7.935 -3.623 62 HB ILE 30 HB ILE 30 1.720 10.443 -4.814 63 1HG1 ILE 30 1HG1 ILE 30 -0.316 10.299 -3.700 64 2HG1 ILE 30 2HG1 ILE 30 -0.255 8.555 -3.551 65 1HG2 ILE 30 1HG2 ILE 30 0.123 8.231 -6.104 66 2HG2 ILE 30 2HG2 ILE 30 -0.365 9.935 -5.981 67 3HG2 ILE 30 3HG2 ILE 30 1.092 9.522 -6.882 68 1HD1 ILE 30 1HD1 ILE 30 1.926 10.234 -2.319 69 2HD1 ILE 30 2HD1 ILE 30 0.342 10.065 -1.535 70 3HD1 ILE 30 3HD1 ILE 30 1.321 8.631 -1.837 71 H GLU 31 H GLU 31 3.323 8.642 -7.066 72 HA GLU 31 HA GLU 31 2.178 6.108 -7.872 73 1HB GLU 31 1HB GLU 31 3.754 8.269 -9.222 74 2HB GLU 31 2HB GLU 31 3.523 6.696 -10.021 75 1HG GLU 31 1HG GLU 31 1.114 6.828 -9.789 76 2HG GLU 31 2HG GLU 31 1.191 8.118 -8.629 77 H ALA 32 H ALA 32 5.374 6.943 -6.808 78 HA ALA 32 HA ALA 32 6.545 4.324 -7.295 79 1HB ALA 32 1HB ALA 32 7.268 6.616 -5.413 80 2HB ALA 32 2HB ALA 32 8.129 5.099 -5.439 81 3HB ALA 32 3HB ALA 32 8.087 6.123 -6.905 82 H GLU 33 H GLU 33 4.913 5.879 -4.492 83 HA GLU 33 HA GLU 33 5.143 3.690 -2.734 84 1HB GLU 33 1HB GLU 33 4.115 5.142 -1.257 85 2HB GLU 33 2HB GLU 33 4.390 6.279 -2.541 86 1HG GLU 33 1HG GLU 33 2.428 6.813 -1.905 87 2HG GLU 33 2HG GLU 33 2.056 5.639 -3.161 88 H GLN 34 H GLN 34 2.569 4.470 -5.069 89 HA GLN 34 HA GLN 34 0.948 2.237 -4.706 90 1HB GLN 34 1HB GLN 34 1.664 3.816 -7.191 91 2HB GLN 34 2HB GLN 34 0.465 2.513 -7.217 92 1HG GLN 34 1HG GLN 34 -0.888 3.670 -5.560 93 2HG GLN 34 2HG GLN 34 0.323 4.907 -5.384 94 1HE2 GLN 34 2HE2 GLN 34 -2.050 5.892 -5.891 95 2HE2 GLN 34 1HE2 GLN 34 -2.272 6.335 -7.595 96 H SER 35 H SER 35 4.081 2.484 -6.535 97 HA SER 35 HA SER 35 3.910 -0.200 -7.604 98 1HB SER 35 1HB SER 35 6.316 1.653 -7.236 99 2HB SER 35 2HB SER 35 6.308 0.120 -8.104 100 HG SER 35 HG SER 35 4.595 1.020 -9.407 101 H VAL 36 H VAL 36 5.167 1.179 -4.518 102 HA VAL 36 HA VAL 36 6.432 -1.273 -3.683 103 HB VAL 36 HB VAL 36 5.119 0.863 -1.939 104 1HG1 VAL 36 1HG1 VAL 36 7.177 -1.274 -1.260 105 2HG1 VAL 36 2HG1 VAL 36 6.609 0.017 -0.175 106 3HG1 VAL 36 3HG1 VAL 36 5.486 -1.232 -0.714 107 1HG2 VAL 36 1HG2 VAL 36 8.030 0.565 -2.801 108 2HG2 VAL 36 2HG2 VAL 36 6.916 1.843 -3.335 109 3HG2 VAL 36 3HG2 VAL 36 7.387 1.757 -1.646 110 H LEU 37 H LEU 37 3.119 0.052 -3.154 111 HA LEU 37 HA LEU 37 2.039 -2.199 -1.860 112 1HB LEU 37 1HB LEU 37 0.609 -0.323 -3.786 113 2HB LEU 37 2HB LEU 37 -0.160 -1.430 -2.655 114 HG LEU 37 HG LEU 37 1.539 0.986 -1.914 115 1HD1 LEU 37 1HD1 LEU 37 -1.447 0.444 -1.667 116 2HD1 LEU 37 2HD1 LEU 37 -0.583 1.874 -1.050 117 3HD1 LEU 37 3HD1 LEU 37 -0.656 1.590 -2.785 118 1HD2 LEU 37 1HD2 LEU 37 0.195 -1.100 -0.159 119 2HD2 LEU 37 2HD2 LEU 37 1.903 -0.640 -0.198 120 3HD2 LEU 37 3HD2 LEU 37 0.708 0.492 0.428 121 H GLY 38 H GLY 38 2.117 -1.561 -5.404 122 1HA GLY 38 1HA GLY 38 0.843 -4.023 -6.144 123 2HA GLY 38 2HA GLY 38 1.852 -2.989 -7.170 124 H GLY 39 H GLY 39 4.222 -3.232 -5.366 125 1HA GLY 39 1HA GLY 39 5.484 -5.534 -6.548 126 2HA GLY 39 2HA GLY 39 6.126 -4.467 -5.289 127 H LEU 40 H LEU 40 4.113 -4.792 -3.336 128 HA LEU 40 HA LEU 40 5.039 -7.178 -2.087 129 1HB LEU 40 1HB LEU 40 2.760 -5.266 -1.489 130 2HB LEU 40 2HB LEU 40 3.247 -6.550 -0.387 131 HG LEU 40 HG LEU 40 5.208 -4.421 -1.361 132 1HD1 LEU 40 1HD1 LEU 40 3.499 -4.477 1.139 133 2HD1 LEU 40 2HD1 LEU 40 4.763 -3.289 0.762 134 3HD1 LEU 40 3HD1 LEU 40 3.319 -3.363 -0.246 135 1HD2 LEU 40 1HD2 LEU 40 5.253 -6.460 0.882 136 2HD2 LEU 40 2HD2 LEU 40 6.346 -6.372 -0.509 137 3HD2 LEU 40 3HD2 LEU 40 6.410 -5.112 0.730 138 H MET 41 H MET 41 2.103 -6.566 -3.973 139 HA MET 41 HA MET 41 0.719 -8.969 -3.178 140 1HB MET 41 1HB MET 41 0.601 -7.537 -5.868 141 2HB MET 41 2HB MET 41 -0.569 -8.701 -5.233 142 1HG MET 41 1HG MET 41 -1.122 -7.127 -3.393 143 2HG MET 41 2HG MET 41 0.015 -5.957 -4.083 144 1HE MET 41 1HE MET 41 -2.540 -4.716 -3.565 145 2HE MET 41 2HE MET 41 -1.466 -3.896 -4.718 146 3HE MET 41 3HE MET 41 -3.195 -4.106 -5.101 147 H LEU 42 H LEU 42 3.298 -8.281 -5.448 148 HA LEU 42 HA LEU 42 3.332 -10.872 -6.794 149 1HB LEU 42 1HB LEU 42 4.883 -8.346 -6.913 150 2HB LEU 42 2HB LEU 42 5.738 -9.813 -7.350 151 HG LEU 42 HG LEU 42 2.990 -9.407 -8.529 152 1HD1 LEU 42 1HD1 LEU 42 5.497 -7.920 -9.328 153 2HD1 LEU 42 2HD1 LEU 42 4.020 -8.038 -10.328 154 3HD1 LEU 42 3HD1 LEU 42 3.955 -7.248 -8.747 155 1HD2 LEU 42 1HD2 LEU 42 4.307 -11.492 -8.946 156 2HD2 LEU 42 2HD2 LEU 42 4.009 -10.579 -10.429 157 3HD2 LEU 42 3HD2 LEU 42 5.608 -10.514 -9.653 158 H ASP 43 H ASP 43 5.378 -9.078 -4.555 159 HA ASP 43 HA ASP 43 6.786 -11.559 -3.737 160 1HB ASP 43 1HB ASP 43 8.014 -10.071 -5.208 161 2HB ASP 43 2HB ASP 43 7.877 -8.745 -4.042 162 H ASN 44 H ASN 44 5.764 -12.025 -1.983 163 HA ASN 44 HA ASN 44 5.129 -10.007 0.077 164 1HB ASN 44 1HB ASN 44 3.895 -11.787 1.234 165 2HB ASN 44 2HB ASN 44 3.314 -11.442 -0.402 166 1HD2 ASN 44 2HD2 ASN 44 3.607 -12.978 -2.075 167 2HD2 ASN 44 1HD2 ASN 44 4.290 -14.555 -1.794 168 H GLU 45 H GLU 45 7.745 -12.000 -0.720 169 HA GLU 45 HA GLU 45 8.726 -12.374 2.050 170 1HB GLU 45 1HB GLU 45 10.067 -12.555 -0.708 171 2HB GLU 45 2HB GLU 45 10.898 -12.876 0.793 172 1HG GLU 45 1HG GLU 45 8.422 -14.464 0.017 173 2HG GLU 45 2HG GLU 45 10.017 -14.862 -0.611 174 H ARG 46 H ARG 46 9.110 -10.055 -0.683 175 HA ARG 46 HA ARG 46 10.960 -8.414 0.815 176 1HB ARG 46 1HB ARG 46 9.144 -7.911 -1.571 177 2HB ARG 46 2HB ARG 46 10.166 -6.641 -0.909 178 1HG ARG 46 1HG ARG 46 11.342 -9.317 -1.745 179 2HG ARG 46 2HG ARG 46 11.024 -8.011 -2.879 180 1HD ARG 46 1HD ARG 46 12.458 -6.508 -1.338 181 2HD ARG 46 2HD ARG 46 12.958 -8.005 -0.533 182 HE ARG 46 HE ARG 46 13.261 -8.379 -3.307 183 1HH1 ARG 46 1HH1 ARG 46 14.969 -6.608 -0.688 184 2HH1 ARG 46 2HH1 ARG 46 16.255 -6.125 -1.757 185 1HH2 ARG 46 1HH2 ARG 46 15.098 -7.783 -4.598 186 2HH2 ARG 46 2HH2 ARG 46 16.390 -6.864 -3.861 187 H TRP 47 H TRP 47 7.731 -9.083 1.518 188 HA TRP 47 HA TRP 47 6.744 -6.577 2.464 189 1HB TRP 47 1HB TRP 47 5.357 -8.603 2.638 190 2HB TRP 47 2HB TRP 47 6.551 -9.336 3.730 191 HD1 TRP 47 HD1 TRP 47 6.626 -8.553 6.237 192 HE1 TRP 47 HE1 TRP 47 5.318 -6.879 7.666 193 HE3 TRP 47 HE3 TRP 47 3.685 -6.488 2.592 194 HZ2 TRP 47 HZ2 TRP 47 3.428 -4.762 7.251 195 HZ3 TRP 47 HZ3 TRP 47 2.184 -4.596 3.137 196 HH2 TRP 47 HH2 TRP 47 2.040 -3.729 5.442 197 H ASP 48 H ASP 48 8.938 -8.929 4.076 198 HA ASP 48 HA ASP 48 9.235 -7.231 6.425 199 1HB ASP 48 1HB ASP 48 10.216 -9.805 5.362 200 2HB ASP 48 2HB ASP 48 11.505 -8.938 6.140 201 H ASP 49 H ASP 49 10.644 -7.129 3.387 202 HA ASP 49 HA ASP 49 13.135 -5.760 4.185 203 1HB ASP 49 1HB ASP 49 12.562 -7.310 2.069 204 2HB ASP 49 2HB ASP 49 12.123 -5.773 1.340 205 H VAL 50 H VAL 50 10.101 -5.044 2.474 206 HA VAL 50 HA VAL 50 10.340 -2.182 2.341 207 HB VAL 50 HB VAL 50 8.120 -4.240 2.142 208 1HG1 VAL 50 1HG1 VAL 50 7.957 -1.226 1.597 209 2HG1 VAL 50 2HG1 VAL 50 6.718 -2.411 1.148 210 3HG1 VAL 50 3HG1 VAL 50 7.058 -2.115 2.848 211 1HG2 VAL 50 1HG2 VAL 50 9.798 -4.209 0.285 212 2HG2 VAL 50 2HG2 VAL 50 8.211 -3.677 -0.275 213 3HG2 VAL 50 3HG2 VAL 50 9.490 -2.482 0.033 214 H ALA 51 H ALA 51 8.830 -4.410 4.823 215 HA ALA 51 HA ALA 51 7.898 -2.302 6.468 216 1HB ALA 51 1HB ALA 51 8.834 -5.088 7.221 217 2HB ALA 51 2HB ALA 51 7.916 -3.994 8.276 218 3HB ALA 51 3HB ALA 51 7.186 -4.605 6.778 219 H GLU 52 H GLU 52 11.101 -3.603 6.018 220 HA GLU 52 HA GLU 52 12.322 -2.103 8.132 221 1HB GLU 52 1HB GLU 52 13.239 -4.143 6.141 222 2HB GLU 52 2HB GLU 52 14.459 -3.048 6.761 223 1HG GLU 52 1HG GLU 52 12.578 -4.622 8.547 224 2HG GLU 52 2HG GLU 52 14.157 -5.200 8.031 225 H ARG 53 H ARG 53 11.123 -1.179 5.225 226 HA ARG 53 HA ARG 53 13.050 1.106 4.992 227 1HB ARG 53 1HB ARG 53 11.043 0.037 2.969 228 2HB ARG 53 2HB ARG 53 11.974 1.512 2.774 229 1HG ARG 53 1HG ARG 53 13.163 -1.293 2.912 230 2HG ARG 53 2HG ARG 53 12.830 -0.378 1.458 231 1HD ARG 53 1HD ARG 53 15.100 -0.019 1.784 232 2HD ARG 53 2HD ARG 53 14.338 1.454 2.404 233 HE ARG 53 HE ARG 53 14.696 -0.487 4.498 234 1HH1 ARG 53 1HH1 ARG 53 16.474 1.935 2.584 235 2HH1 ARG 53 2HH1 ARG 53 17.780 2.070 3.687 236 1HH2 ARG 53 1HH2 ARG 53 16.377 -0.221 6.069 237 2HH2 ARG 53 2HH2 ARG 53 17.783 0.681 5.651 238 H VAL 54 H VAL 54 9.628 0.115 5.405 239 HA VAL 54 HA VAL 54 8.925 2.882 6.188 240 HB VAL 54 HB VAL 54 6.922 2.485 4.668 241 1HG1 VAL 54 1HG1 VAL 54 8.526 4.166 4.080 242 2HG1 VAL 54 2HG1 VAL 54 9.567 2.949 3.286 243 3HG1 VAL 54 3HG1 VAL 54 7.977 3.342 2.615 244 1HG2 VAL 54 1HG2 VAL 54 7.290 0.102 4.111 245 2HG2 VAL 54 2HG2 VAL 54 7.086 1.134 2.682 246 3HG2 VAL 54 3HG2 VAL 54 8.692 0.583 3.147 247 H VAL 55 H VAL 55 6.665 2.953 7.031 248 HA VAL 55 HA VAL 55 5.383 0.369 7.663 249 HB VAL 55 HB VAL 55 4.730 1.209 9.889 250 1HG1 VAL 55 1HG1 VAL 55 6.555 -0.441 9.611 251 2HG1 VAL 55 2HG1 VAL 55 7.733 0.884 9.587 252 3HG1 VAL 55 3HG1 VAL 55 6.769 0.583 11.046 253 1HG2 VAL 55 1HG2 VAL 55 5.282 3.652 9.463 254 2HG2 VAL 55 2HG2 VAL 55 5.879 2.978 10.998 255 3HG2 VAL 55 3HG2 VAL 55 6.979 3.233 9.638 256 H ALA 56 H ALA 56 2.954 0.817 8.140 257 HA ALA 56 HA ALA 56 1.862 2.503 6.166 258 1HB ALA 56 1HB ALA 56 0.615 0.618 7.322 259 2HB ALA 56 2HB ALA 56 0.490 1.637 8.764 260 3HB ALA 56 3HB ALA 56 -0.303 2.132 7.262 261 H ASP 57 H ASP 57 2.964 3.340 9.370 262 HA ASP 57 HA ASP 57 1.521 5.818 9.645 263 1HB ASP 57 1HB ASP 57 4.029 4.710 10.938 264 2HB ASP 57 2HB ASP 57 3.517 6.356 11.238 265 H ASP 58 H ASP 58 4.197 4.961 7.535 266 HA ASP 58 HA ASP 58 5.169 7.701 7.299 267 1HB ASP 58 1HB ASP 58 5.700 5.121 5.763 268 2HB ASP 58 2HB ASP 58 6.420 6.658 5.381 269 H PHE 59 H PHE 59 3.054 5.413 5.607 270 HA PHE 59 HA PHE 59 2.674 6.838 3.168 271 1HB PHE 59 1HB PHE 59 1.085 4.659 4.583 272 2HB PHE 59 2HB PHE 59 0.594 5.350 3.047 273 HD1 PHE 59 HD1 PHE 59 3.931 4.123 4.387 274 HD2 PHE 59 HD2 PHE 59 0.940 3.798 1.300 275 HE1 PHE 59 HE1 PHE 59 5.423 2.682 3.090 276 HE2 PHE 59 HE2 PHE 59 2.411 2.269 0.062 277 HZ PHE 59 HZ PHE 59 4.677 1.726 0.908 278 H TYR 60 H TYR 60 1.967 8.951 3.266 279 HA TYR 60 HA TYR 60 0.245 9.822 5.415 280 1HB TYR 60 1HB TYR 60 1.944 11.292 4.386 281 2HB TYR 60 2HB TYR 60 1.014 11.303 2.904 282 HD1 TYR 60 HD1 TYR 60 0.044 11.712 6.516 283 HD2 TYR 60 HD2 TYR 60 0.029 13.360 2.528 284 HE1 TYR 60 HE1 TYR 60 -1.365 13.552 7.300 285 HE2 TYR 60 HE2 TYR 60 -1.395 15.226 3.305 286 HH TYR 60 HH TYR 60 -2.854 15.154 6.508 287 H THR 61 H THR 61 -0.341 8.505 2.202 288 HA THR 61 HA THR 61 -2.839 9.774 1.768 289 HB THR 61 HB THR 61 -2.608 7.579 0.030 290 HG1 THR 61 HG1 THR 61 -0.385 7.161 0.368 291 1HG2 THR 61 1HG2 THR 61 -1.676 10.473 -0.160 292 2HG2 THR 61 2HG2 THR 61 -1.891 9.400 -1.544 293 3HG2 THR 61 3HG2 THR 61 -3.295 9.852 -0.550 294 H ARG 62 H ARG 62 -4.591 9.387 2.886 295 HA ARG 62 HA ARG 62 -5.403 7.374 4.479 296 1HB ARG 62 1HB ARG 62 -6.899 9.222 2.632 297 2HB ARG 62 2HB ARG 62 -7.803 7.931 3.432 298 1HG ARG 62 1HG ARG 62 -7.180 8.672 5.607 299 2HG ARG 62 2HG ARG 62 -5.988 9.805 4.982 300 1HD ARG 62 1HD ARG 62 -8.129 10.868 5.789 301 2HD ARG 62 2HD ARG 62 -7.611 11.299 4.159 302 HE ARG 62 HE ARG 62 -9.545 10.550 3.338 303 1HH1 ARG 62 1HH1 ARG 62 -9.138 8.862 6.498 304 2HH1 ARG 62 2HH1 ARG 62 -10.592 7.964 6.301 305 1HH2 ARG 62 1HH2 ARG 62 -11.631 9.557 3.305 306 2HH2 ARG 62 2HH2 ARG 62 -12.159 8.577 4.627 307 HA PRO 63 HA PRO 63 -7.315 4.462 1.314 308 1HB PRO 63 1HB PRO 63 -6.682 4.572 -1.368 309 2HB PRO 63 2HB PRO 63 -8.060 5.434 -0.620 310 1HG PRO 63 1HG PRO 63 -5.319 6.533 -1.281 311 2HG PRO 63 2HG PRO 63 -6.914 7.267 -1.627 312 1HD PRO 63 1HD PRO 63 -5.438 8.013 0.522 313 2HD PRO 63 2HD PRO 63 -7.215 7.890 0.638 314 H HIS 64 H HIS 64 -4.045 5.556 0.233 315 HA HIS 64 HA HIS 64 -3.033 2.988 -0.390 316 1HB HIS 64 1HB HIS 64 -1.598 5.497 0.559 317 2HB HIS 64 2HB HIS 64 -0.853 4.054 -0.087 318 HD1 HIS 64 HD1 HIS 64 0.014 6.249 -1.541 319 HD2 HIS 64 HD2 HIS 64 -3.426 4.114 -2.529 320 HE1 HIS 64 HE1 HIS 64 -0.230 6.497 -4.102 321 H ARG 65 H ARG 65 -3.028 4.799 2.716 322 HA ARG 65 HA ARG 65 -1.428 3.082 4.290 323 1HB ARG 65 1HB ARG 65 -3.927 4.708 4.931 324 2HB ARG 65 2HB ARG 65 -3.230 3.618 6.116 325 1HG ARG 65 1HG ARG 65 -1.006 4.959 5.621 326 2HG ARG 65 2HG ARG 65 -2.162 6.217 5.125 327 1HD ARG 65 1HD ARG 65 -2.023 4.739 7.795 328 2HD ARG 65 2HD ARG 65 -1.610 6.419 7.530 329 HE ARG 65 HE ARG 65 -4.306 5.979 6.686 330 1HH1 ARG 65 1HH1 ARG 65 -2.513 6.095 9.755 331 2HH1 ARG 65 2HH1 ARG 65 -3.948 5.898 10.717 332 1HH2 ARG 65 1HH2 ARG 65 -6.128 5.999 7.913 333 2HH2 ARG 65 2HH2 ARG 65 -6.086 6.085 9.645 334 H HIS 66 H HIS 66 -4.891 2.776 3.308 335 HA HIS 66 HA HIS 66 -5.504 0.781 5.125 336 1HB HIS 66 1HB HIS 66 -6.954 2.126 3.394 337 2HB HIS 66 2HB HIS 66 -6.749 0.694 2.395 338 HD1 HIS 66 HD1 HIS 66 -6.966 -1.605 4.714 339 HD2 HIS 66 HD2 HIS 66 -8.984 2.048 4.572 340 HE1 HIS 66 HE1 HIS 66 -8.960 -1.890 6.238 341 H ILE 67 H ILE 67 -4.216 0.442 1.753 342 HA ILE 67 HA ILE 67 -4.197 -2.383 1.715 343 HB ILE 67 HB ILE 67 -2.324 -0.423 0.306 344 1HG1 ILE 67 1HG1 ILE 67 -3.866 -1.434 -1.665 345 2HG1 ILE 67 2HG1 ILE 67 -5.012 -1.647 -0.337 346 1HG2 ILE 67 1HG2 ILE 67 -2.778 -3.408 -0.116 347 2HG2 ILE 67 2HG2 ILE 67 -1.854 -2.357 -1.217 348 3HG2 ILE 67 3HG2 ILE 67 -1.286 -2.650 0.424 349 1HD1 ILE 67 1HD1 ILE 67 -3.724 0.996 -1.119 350 2HD1 ILE 67 2HD1 ILE 67 -5.326 0.445 -1.642 351 3HD1 ILE 67 3HD1 ILE 67 -5.026 0.739 0.072 352 H PHE 68 H PHE 68 -1.547 -0.095 2.723 353 HA PHE 68 HA PHE 68 0.262 -2.073 3.483 354 1HB PHE 68 1HB PHE 68 0.499 0.503 3.380 355 2HB PHE 68 2HB PHE 68 -0.071 0.522 5.032 356 HD1 PHE 68 HD1 PHE 68 1.387 -1.485 6.556 357 HD2 PHE 68 HD2 PHE 68 2.731 0.752 3.123 358 HE1 PHE 68 HE1 PHE 68 3.719 -1.913 7.189 359 HE2 PHE 68 HE2 PHE 68 5.063 0.380 3.804 360 HZ PHE 68 HZ PHE 68 5.587 -0.989 5.825 361 H THR 69 H THR 69 -2.281 -0.591 5.472 362 HA THR 69 HA THR 69 -1.607 -1.973 7.899 363 HB THR 69 HB THR 69 -4.327 -0.833 7.094 364 HG1 THR 69 HG1 THR 69 -2.724 0.691 6.638 365 1HG2 THR 69 1HG2 THR 69 -4.222 -1.976 9.316 366 2HG2 THR 69 2HG2 THR 69 -2.903 -0.881 9.790 367 3HG2 THR 69 3HG2 THR 69 -4.527 -0.237 9.463 368 H GLU 70 H GLU 70 -3.786 -2.787 5.183 369 HA GLU 70 HA GLU 70 -4.948 -5.030 6.555 370 1HB GLU 70 1HB GLU 70 -5.846 -3.548 4.524 371 2HB GLU 70 2HB GLU 70 -4.932 -4.685 3.539 372 1HG GLU 70 1HG GLU 70 -7.203 -5.476 3.736 373 2HG GLU 70 2HG GLU 70 -6.186 -6.545 4.699 374 H MET 71 H MET 71 -2.365 -4.607 4.096 375 HA MET 71 HA MET 71 -1.695 -7.359 3.750 376 1HB MET 71 1HB MET 71 -0.048 -4.807 3.553 377 2HB MET 71 2HB MET 71 0.566 -6.421 3.155 378 1HG MET 71 1HG MET 71 -1.196 -6.641 1.428 379 2HG MET 71 2HG MET 71 -1.674 -4.974 1.718 380 1HE MET 71 1HE MET 71 -0.559 -6.571 -0.972 381 2HE MET 71 2HE MET 71 -1.158 -4.899 -1.127 382 3HE MET 71 3HE MET 71 0.441 -5.331 -1.751 383 H ALA 72 H ALA 72 -0.473 -4.851 6.022 384 HA ALA 72 HA ALA 72 1.362 -6.461 7.420 385 1HB ALA 72 1HB ALA 72 1.218 -3.993 7.673 386 2HB ALA 72 2HB ALA 72 -0.354 -4.155 8.464 387 3HB ALA 72 3HB ALA 72 1.107 -4.798 9.241 388 H ARG 73 H ARG 73 -2.123 -5.870 8.083 389 HA ARG 73 HA ARG 73 -2.312 -7.643 10.301 390 1HB ARG 73 1HB ARG 73 -3.956 -5.900 9.728 391 2HB ARG 73 2HB ARG 73 -4.485 -6.832 8.320 392 1HG ARG 73 1HG ARG 73 -5.378 -8.584 9.710 393 2HG ARG 73 2HG ARG 73 -4.573 -7.943 11.156 394 1HD ARG 73 1HD ARG 73 -5.951 -5.860 10.974 395 2HD ARG 73 2HD ARG 73 -6.774 -6.550 9.571 396 HE ARG 73 HE ARG 73 -8.008 -7.929 10.907 397 1HH1 ARG 73 1HH1 ARG 73 -5.484 -6.501 12.992 398 2HH1 ARG 73 2HH1 ARG 73 -6.387 -6.764 14.444 399 1HH2 ARG 73 1HH2 ARG 73 -9.008 -8.553 12.882 400 2HH2 ARG 73 2HH2 ARG 73 -8.309 -8.053 14.391 401 H LEU 74 H LEU 74 -2.731 -8.342 6.773 402 HA LEU 74 HA LEU 74 -3.578 -11.016 7.088 403 1HB LEU 74 1HB LEU 74 -2.287 -9.324 4.938 404 2HB LEU 74 2HB LEU 74 -2.450 -11.043 4.666 405 HG LEU 74 HG LEU 74 -4.834 -9.335 5.459 406 1HD1 LEU 74 1HD1 LEU 74 -3.883 -9.940 2.628 407 2HD1 LEU 74 2HD1 LEU 74 -5.425 -9.180 3.091 408 3HD1 LEU 74 3HD1 LEU 74 -3.899 -8.339 3.415 409 1HD2 LEU 74 1HD2 LEU 74 -5.063 -11.805 5.639 410 2HD2 LEU 74 2HD2 LEU 74 -6.098 -11.153 4.365 411 3HD2 LEU 74 3HD2 LEU 74 -4.580 -11.976 3.942 412 H GLN 75 H GLN 75 -0.298 -9.664 6.487 413 HA GLN 75 HA GLN 75 1.093 -12.126 6.555 414 1HB GLN 75 1HB GLN 75 1.829 -9.762 5.795 415 2HB GLN 75 2HB GLN 75 2.041 -9.362 7.476 416 1HG GLN 75 1HG GLN 75 4.186 -9.862 6.765 417 2HG GLN 75 2HG GLN 75 3.712 -11.315 7.623 418 1HE2 GLN 75 2HE2 GLN 75 4.560 -9.911 4.520 419 2HE2 GLN 75 1HE2 GLN 75 4.764 -11.419 3.664 420 H GLU 76 H GLU 76 0.285 -9.813 9.082 421 HA GLU 76 HA GLU 76 1.407 -11.093 11.353 422 1HB GLU 76 1HB GLU 76 0.635 -8.833 11.430 423 2HB GLU 76 2HB GLU 76 -0.984 -9.296 10.952 424 1HG GLU 76 1HG GLU 76 -1.243 -10.429 13.193 425 2HG GLU 76 2HG GLU 76 0.296 -9.689 13.655 426 H SER 77 H SER 77 -1.713 -11.625 9.714 427 HA SER 77 HA SER 77 -2.456 -13.900 11.375 428 1HB SER 77 1HB SER 77 -3.645 -12.238 9.291 429 2HB SER 77 2HB SER 77 -4.163 -13.919 9.253 430 HG SER 77 HG SER 77 -4.904 -13.804 11.240 431 H GLY 78 H GLY 78 -0.043 -13.644 9.093 432 1HA GLY 78 1HA GLY 78 1.259 -15.295 8.201 433 2HA GLY 78 2HA GLY 78 0.265 -16.508 9.029 434 H SER 79 H SER 79 -0.981 -14.051 6.834 435 HA SER 79 HA SER 79 -1.962 -16.212 5.016 436 1HB SER 79 1HB SER 79 -3.330 -13.638 5.907 437 2HB SER 79 2HB SER 79 -3.996 -14.811 4.761 438 HG SER 79 HG SER 79 -3.173 -15.490 7.395 439 HA PRO 80 HA PRO 80 0.078 -14.026 1.812 440 1HB PRO 80 1HB PRO 80 -1.684 -14.348 -0.357 441 2HB PRO 80 2HB PRO 80 -0.495 -15.541 0.206 442 1HG PRO 80 1HG PRO 80 -3.444 -15.359 0.830 443 2HG PRO 80 2HG PRO 80 -2.473 -16.824 0.484 444 1HD PRO 80 1HD PRO 80 -3.181 -16.105 3.006 445 2HD PRO 80 2HD PRO 80 -1.587 -16.847 2.669 446 H ILE 81 H ILE 81 0.071 -12.186 0.509 447 HA ILE 81 HA ILE 81 -2.112 -10.224 0.947 448 HB ILE 81 HB ILE 81 -0.383 -8.500 0.889 449 1HG1 ILE 81 1HG1 ILE 81 1.645 -10.761 0.964 450 2HG1 ILE 81 2HG1 ILE 81 1.348 -9.692 -0.417 451 1HG2 ILE 81 1HG2 ILE 81 -1.221 -9.545 3.005 452 2HG2 ILE 81 2HG2 ILE 81 0.193 -10.607 3.032 453 3HG2 ILE 81 3HG2 ILE 81 0.395 -8.855 3.178 454 1HD1 ILE 81 1HD1 ILE 81 1.955 -7.739 1.111 455 2HD1 ILE 81 2HD1 ILE 81 2.527 -8.945 2.287 456 3HD1 ILE 81 3HD1 ILE 81 3.283 -8.839 0.691 457 H ASP 82 H ASP 82 -1.720 -12.280 -1.154 458 HA ASP 82 HA ASP 82 -1.285 -10.932 -3.690 459 1HB ASP 82 1HB ASP 82 -1.217 -13.134 -4.155 460 2HB ASP 82 2HB ASP 82 -2.072 -13.590 -2.697 461 H LEU 83 H LEU 83 -2.912 -10.151 -5.066 462 HA LEU 83 HA LEU 83 -4.506 -8.199 -3.993 463 1HB LEU 83 1HB LEU 83 -3.836 -8.179 -6.272 464 2HB LEU 83 2HB LEU 83 -4.749 -9.649 -6.619 465 HG LEU 83 HG LEU 83 -6.858 -8.580 -6.409 466 1HD1 LEU 83 1HD1 LEU 83 -5.319 -6.060 -5.735 467 2HD1 LEU 83 2HD1 LEU 83 -7.100 -6.229 -5.992 468 3HD1 LEU 83 3HD1 LEU 83 -6.338 -6.933 -4.575 469 1HD2 LEU 83 1HD2 LEU 83 -5.621 -8.260 -8.531 470 2HD2 LEU 83 2HD2 LEU 83 -6.660 -6.857 -8.165 471 3HD2 LEU 83 3HD2 LEU 83 -4.909 -6.763 -7.881 472 H ILE 84 H ILE 84 -5.619 -11.547 -4.887 473 HA ILE 84 HA ILE 84 -8.326 -10.910 -4.517 474 HB ILE 84 HB ILE 84 -6.836 -13.525 -4.244 475 1HG1 ILE 84 1HG1 ILE 84 -6.152 -12.424 -6.352 476 2HG1 ILE 84 2HG1 ILE 84 -6.973 -13.901 -6.572 477 1HG2 ILE 84 1HG2 ILE 84 -9.183 -13.773 -3.577 478 2HG2 ILE 84 2HG2 ILE 84 -9.711 -13.132 -5.142 479 3HG2 ILE 84 3HG2 ILE 84 -8.837 -14.670 -5.063 480 1HD1 ILE 84 1HD1 ILE 84 -9.049 -12.691 -7.261 481 2HD1 ILE 84 2HD1 ILE 84 -8.216 -11.146 -6.946 482 3HD1 ILE 84 3HD1 ILE 84 -7.650 -12.223 -8.232 483 H THR 85 H THR 85 -6.025 -12.418 -2.228 484 HA THR 85 HA THR 85 -7.832 -12.669 -0.114 485 HB THR 85 HB THR 85 -4.840 -12.293 0.206 486 HG1 THR 85 HG1 THR 85 -6.277 -14.486 -0.876 487 1HG2 THR 85 1HG2 THR 85 -6.234 -12.681 2.258 488 2HG2 THR 85 2HG2 THR 85 -6.784 -14.220 1.563 489 3HG2 THR 85 3HG2 THR 85 -5.067 -13.977 1.959 490 H LEU 86 H LEU 86 -5.568 -10.172 -1.043 491 HA LEU 86 HA LEU 86 -5.807 -8.365 1.126 492 1HB LEU 86 1HB LEU 86 -4.152 -8.177 -0.718 493 2HB LEU 86 2HB LEU 86 -5.421 -7.829 -1.850 494 HG LEU 86 HG LEU 86 -5.997 -5.729 -0.640 495 1HD1 LEU 86 1HD1 LEU 86 -3.518 -6.398 1.002 496 2HD1 LEU 86 2HD1 LEU 86 -4.334 -4.816 0.986 497 3HD1 LEU 86 3HD1 LEU 86 -5.175 -6.235 1.610 498 1HD2 LEU 86 1HD2 LEU 86 -4.528 -5.803 -2.610 499 2HD2 LEU 86 2HD2 LEU 86 -4.108 -4.487 -1.511 500 3HD2 LEU 86 3HD2 LEU 86 -3.118 -5.976 -1.550 501 H ALA 87 H ALA 87 -7.564 -8.420 -1.947 502 HA ALA 87 HA ALA 87 -9.339 -6.266 -1.353 503 1HB ALA 87 1HB ALA 87 -8.973 -7.166 -3.642 504 2HB ALA 87 2HB ALA 87 -9.794 -8.666 -3.172 505 3HB ALA 87 3HB ALA 87 -10.694 -7.132 -3.200 506 H GLU 88 H GLU 88 -9.679 -9.826 -0.874 507 HA GLU 88 HA GLU 88 -12.309 -9.708 0.209 508 1HB GLU 88 1HB GLU 88 -10.048 -11.698 0.195 509 2HB GLU 88 2HB GLU 88 -11.400 -11.980 1.297 510 1HG GLU 88 1HG GLU 88 -12.989 -12.167 -0.366 511 2HG GLU 88 2HG GLU 88 -12.051 -11.252 -1.537 512 H SER 89 H SER 89 -9.152 -9.128 1.745 513 HA SER 89 HA SER 89 -10.305 -9.203 4.377 514 1HB SER 89 1HB SER 89 -7.875 -9.598 3.761 515 2HB SER 89 2HB SER 89 -7.710 -7.841 3.659 516 HG SER 89 HG SER 89 -8.145 -7.675 5.820 517 H LEU 90 H LEU 90 -9.344 -6.550 2.181 518 HA LEU 90 HA LEU 90 -10.390 -4.342 3.602 519 1HB LEU 90 1HB LEU 90 -9.891 -4.991 0.703 520 2HB LEU 90 2HB LEU 90 -10.867 -3.577 1.039 521 HG LEU 90 HG LEU 90 -8.243 -3.917 2.488 522 1HD1 LEU 90 1HD1 LEU 90 -7.703 -4.255 0.127 523 2HD1 LEU 90 2HD1 LEU 90 -8.571 -2.759 -0.300 524 3HD1 LEU 90 3HD1 LEU 90 -7.091 -2.696 0.692 525 1HD2 LEU 90 1HD2 LEU 90 -9.869 -1.484 1.542 526 2HD2 LEU 90 2HD2 LEU 90 -9.683 -2.049 3.213 527 3HD2 LEU 90 3HD2 LEU 90 -8.297 -1.397 2.329 528 H GLU 91 H GLU 91 -12.113 -6.623 1.466 529 HA GLU 91 HA GLU 91 -14.680 -5.335 1.635 530 1HB GLU 91 1HB GLU 91 -13.717 -8.171 1.085 531 2HB GLU 91 2HB GLU 91 -15.429 -7.769 1.019 532 1HG GLU 91 1HG GLU 91 -13.519 -6.134 -0.633 533 2HG GLU 91 2HG GLU 91 -13.850 -7.787 -1.130 534 H ARG 92 H ARG 92 -13.146 -7.867 3.734 535 HA ARG 92 HA ARG 92 -15.536 -8.034 5.369 536 1HB ARG 92 1HB ARG 92 -12.653 -8.798 5.959 537 2HB ARG 92 2HB ARG 92 -13.945 -8.852 7.165 538 1HG ARG 92 1HG ARG 92 -15.274 -10.209 5.372 539 2HG ARG 92 2HG ARG 92 -13.698 -10.524 4.659 540 1HD ARG 92 1HD ARG 92 -14.374 -11.068 7.593 541 2HD ARG 92 2HD ARG 92 -14.686 -12.221 6.295 542 HE ARG 92 HE ARG 92 -11.919 -11.272 6.419 543 1HH1 ARG 92 1HH1 ARG 92 -14.155 -13.671 7.755 544 2HH1 ARG 92 2HH1 ARG 92 -13.058 -15.008 7.638 545 1HH2 ARG 92 1HH2 ARG 92 -10.371 -13.000 6.428 546 2HH2 ARG 92 2HH2 ARG 92 -10.798 -14.570 6.997 547 H GLN 93 H GLN 93 -12.707 -5.854 5.412 548 HA GLN 93 HA GLN 93 -13.669 -4.454 7.738 549 1HB GLN 93 1HB GLN 93 -12.015 -3.268 5.486 550 2HB GLN 93 2HB GLN 93 -12.119 -2.682 7.140 551 1HG GLN 93 1HG GLN 93 -10.742 -5.188 6.146 552 2HG GLN 93 2HG GLN 93 -9.999 -3.719 6.693 553 1HE2 GLN 93 2HE2 GLN 93 -9.196 -6.046 7.666 554 2HE2 GLN 93 1HE2 GLN 93 -9.704 -6.379 9.318 555 H GLY 94 H GLY 94 -14.834 -4.457 4.382 556 1HA GLY 94 1HA GLY 94 -16.574 -3.315 3.473 557 2HA GLY 94 2HA GLY 94 -16.878 -2.560 5.052 558 H GLN 95 H GLN 95 -13.932 -2.574 3.109 559 HA GLN 95 HA GLN 95 -13.953 0.397 2.862 560 1HB GLN 95 1HB GLN 95 -11.909 -1.528 4.035 561 2HB GLN 95 2HB GLN 95 -11.429 0.066 3.474 562 1HG GLN 95 1HG GLN 95 -13.678 -0.270 5.494 563 2HG GLN 95 2HG GLN 95 -11.998 -0.158 5.975 564 1HE2 GLN 95 2HE2 GLN 95 -10.898 1.832 5.746 565 2HE2 GLN 95 1HE2 GLN 95 -11.707 3.328 5.223 566 H LEU 96 H LEU 96 -13.858 -2.408 1.034 567 HA LEU 96 HA LEU 96 -11.656 -1.897 -0.688 568 1HB LEU 96 1HB LEU 96 -12.785 -4.019 -0.639 569 2HB LEU 96 2HB LEU 96 -14.245 -3.302 -1.323 570 HG LEU 96 HG LEU 96 -12.951 -2.677 -3.386 571 1HD1 LEU 96 1HD1 LEU 96 -10.680 -4.141 -1.961 572 2HD1 LEU 96 2HD1 LEU 96 -10.693 -3.794 -3.699 573 3HD1 LEU 96 3HD1 LEU 96 -10.674 -2.463 -2.560 574 1HD2 LEU 96 1HD2 LEU 96 -14.152 -4.828 -3.231 575 2HD2 LEU 96 2HD2 LEU 96 -12.736 -4.893 -4.289 576 3HD2 LEU 96 3HD2 LEU 96 -12.653 -5.607 -2.665 577 H ASP 97 H ASP 97 -15.024 -0.658 -0.770 578 HA ASP 97 HA ASP 97 -14.891 0.876 -3.109 579 1HB ASP 97 1HB ASP 97 -16.643 2.252 -2.174 580 2HB ASP 97 2HB ASP 97 -16.945 0.570 -1.753 581 H SER 98 H SER 98 -13.606 1.593 0.123 582 HA SER 98 HA SER 98 -13.133 4.366 -0.453 583 1HB SER 98 1HB SER 98 -12.644 2.485 1.877 584 2HB SER 98 2HB SER 98 -12.011 4.135 1.879 585 HG SER 98 HG SER 98 -14.763 3.499 1.327 586 H VAL 99 H VAL 99 -11.173 1.469 -0.881 587 HA VAL 99 HA VAL 99 -8.789 3.177 -1.245 588 HB VAL 99 HB VAL 99 -7.653 1.141 -2.008 589 1HG1 VAL 99 1HG1 VAL 99 -7.657 1.793 0.378 590 2HG1 VAL 99 2HG1 VAL 99 -9.098 0.799 0.661 591 3HG1 VAL 99 3HG1 VAL 99 -7.571 0.035 0.173 592 1HG2 VAL 99 1HG2 VAL 99 -9.668 -0.086 -2.910 593 2HG2 VAL 99 2HG2 VAL 99 -8.654 -1.044 -1.832 594 3HG2 VAL 99 3HG2 VAL 99 -10.163 -0.371 -1.220 595 H GLY 100 H GLY 100 -11.527 2.296 -3.017 596 1HA GLY 100 1HA GLY 100 -11.805 3.825 -4.972 597 2HA GLY 100 2HA GLY 100 -10.281 3.203 -5.591 598 H GLY 101 H GLY 101 -12.160 0.703 -4.084 599 1HA GLY 101 1HA GLY 101 -13.637 -0.860 -4.932 600 2HA GLY 101 2HA GLY 101 -13.547 -0.129 -6.542 601 H PHE 102 H PHE 102 -13.327 -2.807 -6.523 602 HA PHE 102 HA PHE 102 -10.893 -3.976 -5.846 603 1HB PHE 102 1HB PHE 102 -13.166 -4.997 -6.710 604 2HB PHE 102 2HB PHE 102 -12.403 -4.915 -8.287 605 HD1 PHE 102 HD1 PHE 102 -9.902 -5.998 -8.375 606 HD2 PHE 102 HD2 PHE 102 -12.927 -6.941 -5.435 607 HE1 PHE 102 HE1 PHE 102 -8.687 -8.058 -7.768 608 HE2 PHE 102 HE2 PHE 102 -11.712 -8.991 -4.849 609 HZ PHE 102 HZ PHE 102 -9.529 -9.524 -5.940 610 H ALA 103 H ALA 103 -11.757 -2.437 -8.988 611 HA ALA 103 HA ALA 103 -9.294 -3.245 -10.194 612 1HB ALA 103 1HB ALA 103 -11.347 -1.190 -11.059 613 2HB ALA 103 2HB ALA 103 -9.946 -1.698 -12.026 614 3HB ALA 103 3HB ALA 103 -11.190 -2.876 -11.580 615 H TYR 104 H TYR 104 -9.894 -0.669 -7.901 616 HA TYR 104 HA TYR 104 -7.610 0.936 -8.793 617 1HB TYR 104 1HB TYR 104 -9.373 1.897 -7.343 618 2HB TYR 104 2HB TYR 104 -8.864 0.835 -6.028 619 HD1 TYR 104 HD1 TYR 104 -6.563 1.145 -4.988 620 HD2 TYR 104 HD2 TYR 104 -8.074 3.826 -7.999 621 HE1 TYR 104 HE1 TYR 104 -4.825 2.779 -4.383 622 HE2 TYR 104 HE2 TYR 104 -6.360 5.484 -7.407 623 HH TYR 104 HH TYR 104 -3.870 4.886 -4.876 624 H LEU 105 H LEU 105 -8.179 -1.810 -6.504 625 HA LEU 105 HA LEU 105 -5.388 -1.855 -5.644 626 1HB LEU 105 1HB LEU 105 -7.379 -4.138 -5.768 627 2HB LEU 105 2HB LEU 105 -5.815 -4.130 -4.945 628 HG LEU 105 HG LEU 105 -8.176 -2.426 -4.104 629 1HD1 LEU 105 1HD1 LEU 105 -8.483 -4.863 -3.755 630 2HD1 LEU 105 2HD1 LEU 105 -6.931 -4.952 -2.905 631 3HD1 LEU 105 3HD1 LEU 105 -8.273 -4.018 -2.220 632 1HD2 LEU 105 1HD2 LEU 105 -5.379 -2.857 -2.947 633 2HD2 LEU 105 2HD2 LEU 105 -6.084 -1.322 -3.507 634 3HD2 LEU 105 3HD2 LEU 105 -6.707 -2.111 -2.050 635 H ALA 106 H ALA 106 -7.258 -3.386 -8.291 636 HA ALA 106 HA ALA 106 -5.090 -4.885 -9.316 637 1HB ALA 106 1HB ALA 106 -7.474 -5.135 -10.040 638 2HB ALA 106 2HB ALA 106 -7.298 -3.626 -10.976 639 3HB ALA 106 3HB ALA 106 -6.316 -5.034 -11.382 640 H GLU 107 H GLU 107 -5.863 -1.445 -9.636 641 HA GLU 107 HA GLU 107 -4.137 -0.688 -11.732 642 1HB GLU 107 1HB GLU 107 -5.943 0.655 -10.276 643 2HB GLU 107 2HB GLU 107 -4.535 1.077 -9.315 644 1HG GLU 107 1HG GLU 107 -4.493 2.845 -10.681 645 2HG GLU 107 2HG GLU 107 -3.530 1.769 -11.686 646 H LEU 108 H LEU 108 -3.630 -0.850 -8.201 647 HA LEU 108 HA LEU 108 -0.831 -0.231 -8.118 648 1HB LEU 108 1HB LEU 108 -2.250 -2.184 -6.266 649 2HB LEU 108 2HB LEU 108 -0.800 -1.262 -5.931 650 HG LEU 108 HG LEU 108 -3.582 -0.065 -6.304 651 1HD1 LEU 108 1HD1 LEU 108 -3.464 -1.504 -4.314 652 2HD1 LEU 108 2HD1 LEU 108 -2.041 -0.612 -3.752 653 3HD1 LEU 108 3HD1 LEU 108 -3.612 0.207 -3.878 654 1HD2 LEU 108 1HD2 LEU 108 -0.986 1.157 -5.310 655 2HD2 LEU 108 2HD2 LEU 108 -1.822 1.545 -6.833 656 3HD2 LEU 108 3HD2 LEU 108 -2.576 1.955 -5.288 657 H SER 109 H SER 109 -2.603 -3.302 -8.290 658 HA SER 109 HA SER 109 -0.421 -5.074 -8.272 659 1HB SER 109 1HB SER 109 -3.062 -5.350 -8.017 660 2HB SER 109 2HB SER 109 -2.974 -5.740 -9.740 661 HG SER 109 HG SER 109 -1.621 -6.986 -7.570 662 H LYS 110 H LYS 110 -1.444 -3.026 -10.837 663 HA LYS 110 HA LYS 110 0.371 -4.520 -12.693 664 1HB LYS 110 1HB LYS 110 -0.862 -3.774 -14.564 665 2HB LYS 110 2HB LYS 110 -1.976 -4.483 -13.396 666 1HG LYS 110 1HG LYS 110 -2.574 -2.147 -12.654 667 2HG LYS 110 2HG LYS 110 -1.518 -1.550 -13.912 668 1HD LYS 110 1HD LYS 110 -3.698 -1.364 -14.732 669 2HD LYS 110 2HD LYS 110 -2.986 -2.701 -15.621 670 1HE LYS 110 1HE LYS 110 -4.668 -3.154 -13.106 671 2HE LYS 110 2HE LYS 110 -5.431 -2.821 -14.658 672 1HZ LYS 110 1HZ LYS 110 -4.243 -4.743 -15.574 673 2HZ LYS 110 2HZ LYS 110 -3.728 -5.171 -14.080 674 3HZ LYS 110 3HZ LYS 110 -5.330 -5.146 -14.426 675 H ASN 111 H ASN 111 0.158 -1.674 -10.843 676 HA ASN 111 HA ASN 111 1.999 -0.087 -12.503 677 1HB ASN 111 1HB ASN 111 0.216 1.038 -11.164 678 2HB ASN 111 2HB ASN 111 0.912 0.356 -9.690 679 1HD2 ASN 111 2HD2 ASN 111 1.784 2.124 -8.646 680 2HD2 ASN 111 1HD2 ASN 111 2.949 3.219 -9.309 681 H THR 112 H THR 112 2.946 -2.707 -11.835 682 HA THR 112 HA THR 112 5.085 -2.163 -9.860 683 HB THR 112 HB THR 112 3.446 -3.312 -8.704 684 HG1 THR 112 HG1 THR 112 4.513 -5.307 -8.302 685 1HG2 THR 112 1HG2 THR 112 2.106 -4.285 -10.532 686 2HG2 THR 112 2HG2 THR 112 3.359 -5.522 -10.778 687 3HG2 THR 112 3HG2 THR 112 2.455 -5.435 -9.254 688 HA PRO 113 HA PRO 113 7.195 -3.568 -13.614 689 1HB PRO 113 1HB PRO 113 9.647 -2.631 -13.131 690 2HB PRO 113 2HB PRO 113 8.273 -1.523 -13.376 691 1HG PRO 113 1HG PRO 113 9.374 -2.477 -10.703 692 2HG PRO 113 2HG PRO 113 9.143 -0.785 -11.255 693 1HD PRO 113 1HD PRO 113 7.253 -2.089 -9.810 694 2HD PRO 113 2HD PRO 113 6.797 -0.950 -11.108 695 H SER 114 H SER 114 6.572 -5.422 -11.397 696 HA SER 114 HA SER 114 7.131 -7.461 -10.616 697 1HB SER 114 1HB SER 114 9.809 -7.371 -12.035 698 2HB SER 114 2HB SER 114 8.959 -8.768 -11.398 699 HG SER 114 HG SER 114 7.330 -8.483 -12.935 700 H ALA 115 H ALA 115 9.235 -8.405 -9.120 701 HA ALA 115 HA ALA 115 9.680 -6.330 -7.121 702 1HB ALA 115 1HB ALA 115 9.392 -8.695 -6.482 703 2HB ALA 115 2HB ALA 115 10.849 -9.136 -7.399 704 3HB ALA 115 3HB ALA 115 10.973 -8.071 -5.984 705 H ALA 116 H ALA 116 10.916 -4.654 -7.940 706 HA ALA 116 HA ALA 116 13.625 -5.164 -8.935 707 1HB ALA 116 1HB ALA 116 11.442 -3.870 -10.633 708 2HB ALA 116 2HB ALA 116 13.180 -3.849 -11.001 709 3HB ALA 116 3HB ALA 116 12.293 -5.387 -10.984 710 H ASN 117 H ASN 117 14.416 -3.979 -7.209 711 HA ASN 117 HA ASN 117 14.976 -2.177 -5.945 712 1HB ASN 117 1HB ASN 117 14.309 -0.786 -8.527 713 2HB ASN 117 2HB ASN 117 14.657 0.158 -7.104 714 1HD2 ASN 117 2HD2 ASN 117 16.737 0.998 -7.481 715 2HD2 ASN 117 1HD2 ASN 117 18.089 -0.060 -7.842 716 H ILE 118 H ILE 118 12.519 -3.393 -5.455 717 HA ILE 118 HA ILE 118 10.429 -1.527 -4.888 718 HB ILE 118 HB ILE 118 10.397 -4.081 -4.972 719 1HG1 ILE 118 1HG1 ILE 118 9.010 -2.659 -2.653 720 2HG1 ILE 118 2HG1 ILE 118 8.475 -2.665 -4.335 721 1HG2 ILE 118 1HG2 ILE 118 12.214 -4.599 -3.405 722 2HG2 ILE 118 2HG2 ILE 118 11.170 -4.068 -2.061 723 3HG2 ILE 118 3HG2 ILE 118 10.718 -5.449 -3.076 724 1HD1 ILE 118 1HD1 ILE 118 8.151 -5.154 -4.187 725 2HD1 ILE 118 2HD1 ILE 118 8.521 -5.055 -2.447 726 3HD1 ILE 118 3HD1 ILE 118 7.112 -4.211 -3.094 727 H SER 119 H SER 119 13.112 -2.748 -3.070 728 HA SER 119 HA SER 119 12.722 -1.357 -0.657 729 1HB SER 119 1HB SER 119 15.511 -1.738 -1.790 730 2HB SER 119 2HB SER 119 14.977 -1.822 -0.108 731 HG SER 119 HG SER 119 15.234 -3.864 -0.692 732 H ALA 120 H ALA 120 14.239 -0.265 -3.612 733 HA ALA 120 HA ALA 120 15.218 2.256 -2.527 734 1HB ALA 120 1HB ALA 120 16.214 1.077 -4.536 735 2HB ALA 120 2HB ALA 120 14.771 1.581 -5.454 736 3HB ALA 120 3HB ALA 120 15.860 2.795 -4.772 737 H TYR 121 H TYR 121 12.295 1.175 -4.287 738 HA TYR 121 HA TYR 121 11.154 3.790 -4.566 739 1HB TYR 121 1HB TYR 121 10.090 0.954 -4.677 740 2HB TYR 121 2HB TYR 121 8.960 2.283 -4.522 741 HD1 TYR 121 HD1 TYR 121 9.996 4.413 -6.190 742 HD2 TYR 121 HD2 TYR 121 9.827 0.164 -6.941 743 HE1 TYR 121 HE1 TYR 121 9.638 4.872 -8.542 744 HE2 TYR 121 HE2 TYR 121 9.542 0.621 -9.357 745 HH TYR 121 HH TYR 121 9.645 2.367 -11.055 746 H ALA 122 H ALA 122 10.772 1.250 -2.051 747 HA ALA 122 HA ALA 122 9.022 2.782 -0.391 748 1HB ALA 122 1HB ALA 122 11.027 0.595 0.300 749 2HB ALA 122 2HB ALA 122 9.734 1.196 1.357 750 3HB ALA 122 3HB ALA 122 9.323 0.358 -0.152 751 H ASP 123 H ASP 123 12.600 2.719 -0.569 752 HA ASP 123 HA ASP 123 13.104 4.357 1.673 753 1HB ASP 123 1HB ASP 123 14.563 3.562 -0.805 754 2HB ASP 123 2HB ASP 123 15.065 5.103 -0.138 755 H ILE 124 H ILE 124 12.002 5.276 -1.581 756 HA ILE 124 HA ILE 124 12.387 8.126 -1.164 757 HB ILE 124 HB ILE 124 10.444 6.719 -3.048 758 1HG1 ILE 124 1HG1 ILE 124 13.076 8.031 -3.807 759 2HG1 ILE 124 2HG1 ILE 124 13.014 6.339 -3.370 760 1HG2 ILE 124 1HG2 ILE 124 11.430 9.610 -2.945 761 2HG2 ILE 124 2HG2 ILE 124 10.436 8.916 -4.241 762 3HG2 ILE 124 3HG2 ILE 124 9.781 9.051 -2.614 763 1HD1 ILE 124 1HD1 ILE 124 11.357 5.894 -5.154 764 2HD1 ILE 124 2HD1 ILE 124 11.474 7.579 -5.680 765 3HD1 ILE 124 3HD1 ILE 124 12.889 6.519 -5.786 766 H VAL 125 H VAL 125 9.573 5.868 -0.853 767 HA VAL 125 HA VAL 125 7.707 7.789 0.019 768 HB VAL 125 HB VAL 125 7.931 4.804 0.580 769 1HG1 VAL 125 1HG1 VAL 125 5.610 6.685 1.200 770 2HG1 VAL 125 2HG1 VAL 125 5.487 4.921 1.150 771 3HG1 VAL 125 3HG1 VAL 125 6.515 5.690 2.361 772 1HG2 VAL 125 1HG2 VAL 125 7.498 5.544 -1.847 773 2HG2 VAL 125 2HG2 VAL 125 6.178 4.646 -1.113 774 3HG2 VAL 125 3HG2 VAL 125 6.090 6.421 -1.249 775 H ARG 126 H ARG 126 9.880 5.728 2.059 776 HA ARG 126 HA ARG 126 8.933 6.833 4.488 777 1HB ARG 126 1HB ARG 126 10.615 4.842 4.121 778 2HB ARG 126 2HB ARG 126 11.855 6.064 4.190 779 1HG ARG 126 1HG ARG 126 10.020 6.558 6.406 780 2HG ARG 126 2HG ARG 126 10.350 4.841 6.362 781 1HD ARG 126 1HD ARG 126 12.859 5.527 6.184 782 2HD ARG 126 2HD ARG 126 12.315 7.145 6.630 783 HE ARG 126 HE ARG 126 11.953 6.437 8.794 784 1HH1 ARG 126 1HH1 ARG 126 12.326 3.522 6.762 785 2HH1 ARG 126 2HH1 ARG 126 12.832 2.536 8.104 786 1HH2 ARG 126 1HH2 ARG 126 12.392 4.981 10.558 787 2HH2 ARG 126 2HH2 ARG 126 12.998 3.395 10.200 788 H GLU 127 H GLU 127 11.664 7.968 2.420 789 HA GLU 127 HA GLU 127 12.464 10.033 4.222 790 1HB GLU 127 1HB GLU 127 13.685 9.094 2.145 791 2HB GLU 127 2HB GLU 127 12.705 10.204 1.188 792 1HG GLU 127 1HG GLU 127 13.469 12.098 2.661 793 2HG GLU 127 2HG GLU 127 14.502 10.973 3.544 794 H ARG 128 H ARG 128 10.284 9.970 1.433 795 HA ARG 128 HA ARG 128 9.525 12.731 1.671 796 1HB ARG 128 1HB ARG 128 8.046 10.430 0.361 797 2HB ARG 128 2HB ARG 128 7.562 12.137 0.267 798 1HG ARG 128 1HG ARG 128 10.218 11.084 -0.758 799 2HG ARG 128 2HG ARG 128 8.770 11.350 -1.735 800 1HD ARG 128 1HD ARG 128 8.806 13.776 -1.049 801 2HD ARG 128 2HD ARG 128 10.321 13.468 -0.185 802 HE ARG 128 HE ARG 128 11.476 13.154 -2.179 803 1HH1 ARG 128 1HH1 ARG 128 8.090 14.062 -2.929 804 2HH1 ARG 128 2HH1 ARG 128 8.310 13.807 -4.630 805 1HH2 ARG 128 1HH2 ARG 128 11.785 13.144 -4.367 806 2HH2 ARG 128 2HH2 ARG 128 10.436 13.395 -5.466 807 H ALA 129 H ALA 129 8.383 9.917 3.491 808 HA ALA 129 HA ALA 129 6.193 11.364 4.708 809 1HB ALA 129 1HB ALA 129 6.313 8.920 4.713 810 2HB ALA 129 2HB ALA 129 7.749 8.967 5.748 811 3HB ALA 129 3HB ALA 129 6.205 9.582 6.361 812 H VAL 130 H VAL 130 9.735 11.160 5.382 813 HA VAL 130 HA VAL 130 9.498 12.742 7.798 814 HB VAL 130 HB VAL 130 11.884 12.428 5.896 815 1HG1 VAL 130 1HG1 VAL 130 12.124 14.399 7.406 816 2HG1 VAL 130 2HG1 VAL 130 12.003 13.288 8.796 817 3HG1 VAL 130 3HG1 VAL 130 13.325 13.131 7.643 818 1HG2 VAL 130 1HG2 VAL 130 11.249 10.908 8.456 819 2HG2 VAL 130 2HG2 VAL 130 11.251 10.236 6.816 820 3HG2 VAL 130 3HG2 VAL 130 12.759 10.786 7.532 821 H VAL 131 H VAL 131 9.938 13.491 4.340 822 HA VAL 131 HA VAL 131 9.908 16.324 4.626 823 HB VAL 131 HB VAL 131 8.978 14.645 2.311 824 1HG1 VAL 131 1HG1 VAL 131 9.859 17.561 2.321 825 2HG1 VAL 131 2HG1 VAL 131 9.508 16.582 0.875 826 3HG1 VAL 131 3HG1 VAL 131 8.222 16.956 2.009 827 1HG2 VAL 131 1HG2 VAL 131 11.401 14.226 2.937 828 2HG2 VAL 131 2HG2 VAL 131 11.256 15.022 1.376 829 3HG2 VAL 131 3HG2 VAL 131 11.703 15.959 2.818 830 H ARG 132 H ARG 132 7.254 13.983 4.799 831 HA ARG 132 HA ARG 132 5.157 15.796 4.355 832 1HB ARG 132 1HB ARG 132 4.688 13.429 4.506 833 2HB ARG 132 2HB ARG 132 5.110 13.386 6.214 834 1HG ARG 132 1HG ARG 132 2.906 15.231 5.338 835 2HG ARG 132 2HG ARG 132 2.594 13.502 5.436 836 1HD ARG 132 1HD ARG 132 2.850 13.363 7.712 837 2HD ARG 132 2HD ARG 132 3.942 14.743 7.813 838 HE ARG 132 HE ARG 132 1.756 16.033 7.078 839 1HH1 ARG 132 1HH1 ARG 132 2.157 13.597 9.684 840 2HH1 ARG 132 2HH1 ARG 132 0.889 14.253 10.651 841 1HH2 ARG 132 1HH2 ARG 132 0.295 17.030 8.544 842 2HH2 ARG 132 2HH2 ARG 132 -0.218 16.201 9.968 843 H GLU 133 H GLU 133 7.099 15.455 7.253 844 HA GLU 133 HA GLU 133 5.345 17.333 8.674 845 1HB GLU 133 1HB GLU 133 6.581 17.113 10.535 846 2HB GLU 133 2HB GLU 133 7.058 15.665 9.679 847 1HG GLU 133 1HG GLU 133 8.968 16.375 10.559 848 2HG GLU 133 2HG GLU 133 9.130 16.936 8.885 849 H MET 134 H MET 134 7.907 17.679 6.419 850 HA MET 134 HA MET 134 8.579 20.428 6.981 851 1HB MET 134 1HB MET 134 9.036 18.932 4.376 852 2HB MET 134 2HB MET 134 9.886 20.333 4.957 853 1HG MET 134 1HG MET 134 9.982 17.585 6.235 854 2HG MET 134 2HG MET 134 11.215 18.281 5.183 855 1HE MET 134 1HE MET 134 11.573 16.889 8.003 856 2HE MET 134 2HE MET 134 12.972 17.506 7.091 857 3HE MET 134 3HE MET 134 12.754 17.947 8.801 858 H ILE 135 H ILE 135 5.826 19.015 5.583 859 HA ILE 135 HA ILE 135 5.262 21.383 3.852 860 HB ILE 135 HB ILE 135 4.130 18.574 3.674 861 1HG1 ILE 135 1HG1 ILE 135 5.921 19.924 1.610 862 2HG1 ILE 135 2HG1 ILE 135 6.623 18.987 2.910 863 1HG2 ILE 135 1HG2 ILE 135 2.525 20.323 2.895 864 2HG2 ILE 135 2HG2 ILE 135 3.770 21.010 1.843 865 3HG2 ILE 135 3HG2 ILE 135 3.116 19.388 1.533 866 1HD1 ILE 135 1HD1 ILE 135 4.601 17.838 0.954 867 2HD1 ILE 135 2HD1 ILE 135 6.353 17.639 0.868 868 3HD1 ILE 135 3HD1 ILE 135 5.451 16.970 2.244 869 H SER 136 H SER 136 4.720 22.575 5.701 870 HA SER 136 HA SER 136 3.310 23.647 7.027 871 1HB SER 136 1HB SER 136 1.116 22.000 5.712 872 2HB SER 136 2HB SER 136 0.875 23.432 6.722 873 HG SER 136 HG SER 136 0.912 24.071 4.578
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