NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
9167 | 1ng7 | 5753 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1HT MET 1 -7.171 -6.969 23.707 2 2H MET 1 2HT MET 1 -7.597 -6.841 25.346 3 3H MET 1 3HT MET 1 -5.980 -6.632 24.866 4 HA MET 1 HA MET 1 -8.232 -4.766 24.682 5 1HB MET 1 2HB MET 1 -5.476 -5.026 25.678 6 2HB MET 1 1HB MET 1 -5.798 -3.475 24.902 7 1HG MET 1 2HG MET 1 -7.643 -4.659 26.984 8 2HG MET 1 1HG MET 1 -6.305 -3.590 27.403 9 1HE MET 1 1HE MET 1 -6.858 -0.412 25.630 10 2HE MET 1 2HE MET 1 -5.767 -1.628 26.289 11 3HE MET 1 3HE MET 1 -6.814 -0.713 27.372 12 H GLY 2 H GLY 2 -4.979 -4.981 23.191 13 1HA GLY 2 2HA GLY 2 -4.700 -5.042 20.742 14 2HA GLY 2 1HA GLY 2 -6.221 -4.158 20.603 15 HA PRO 3 HA PRO 3 -2.609 -1.178 20.613 16 1HB PRO 3 2HB PRO 3 -2.938 -0.236 18.077 17 2HB PRO 3 1HB PRO 3 -1.962 -1.681 18.421 18 1HG PRO 3 2HG PRO 3 -4.769 -1.482 17.427 19 2HG PRO 3 1HG PRO 3 -3.464 -2.577 16.916 20 1HD PRO 3 2HD PRO 3 -5.464 -3.335 18.593 21 2HD PRO 3 1HD PRO 3 -3.832 -4.035 18.657 22 H LEU 4 H LEU 4 -5.869 -1.122 19.319 23 HA LEU 4 HA LEU 4 -6.557 1.341 20.752 24 1HB LEU 4 2HB LEU 4 -5.406 1.376 18.150 25 2HB LEU 4 1HB LEU 4 -7.105 1.770 17.955 26 HG LEU 4 HG LEU 4 -5.623 3.098 20.184 27 1HD1 LEU 4 1HD1 LEU 4 -5.202 3.594 17.246 28 2HD1 LEU 4 2HD1 LEU 4 -4.011 3.559 18.546 29 3HD1 LEU 4 3HD1 LEU 4 -5.106 4.933 18.390 30 1HD2 LEU 4 1HD2 LEU 4 -7.976 3.597 18.408 31 2HD2 LEU 4 2HD2 LEU 4 -7.122 5.000 19.049 32 3HD2 LEU 4 3HD2 LEU 4 -7.822 3.814 20.150 33 H GLN 5 H GLN 5 -8.724 1.942 18.879 34 HA GLN 5 HA GLN 5 -10.588 -0.233 19.612 35 1HB GLN 5 2HB GLN 5 -12.261 1.380 18.977 36 2HB GLN 5 1HB GLN 5 -10.996 2.289 19.805 37 1HG GLN 5 2HG GLN 5 -10.019 2.447 17.316 38 2HG GLN 5 1HG GLN 5 -11.726 2.262 16.912 39 1HE2 GLN 5 1HE2 GLN 5 -12.590 4.309 16.561 40 2HE2 GLN 5 2HE2 GLN 5 -12.287 5.672 17.527 41 H TYR 6 H TYR 6 -8.627 -1.080 17.798 42 HA TYR 6 HA TYR 6 -8.807 -0.903 15.100 43 1HB TYR 6 2HB TYR 6 -7.596 -2.564 16.709 44 2HB TYR 6 1HB TYR 6 -8.986 -3.610 16.416 45 HD1 TYR 6 1HD TYR 6 -9.703 -3.564 13.762 46 HD2 TYR 6 2HD TYR 6 -5.755 -2.976 15.353 47 HE1 TYR 6 1HE TYR 6 -8.726 -4.261 11.593 48 HE2 TYR 6 2HE TYR 6 -4.778 -3.673 13.182 49 HH TYR 6 HH TYR 6 -5.835 -3.611 10.587 50 H LYS 7 H LYS 7 -10.683 -0.593 13.915 51 HA LYS 7 HA LYS 7 -12.781 -2.704 14.084 52 1HB LYS 7 2HB LYS 7 -12.970 -0.221 15.334 53 2HB LYS 7 1HB LYS 7 -13.864 0.003 13.830 54 1HG LYS 7 2HG LYS 7 -15.471 -0.830 15.368 55 2HG LYS 7 1HG LYS 7 -15.025 -2.225 14.386 56 1HD LYS 7 2HD LYS 7 -13.521 -3.035 16.099 57 2HD LYS 7 1HD LYS 7 -13.740 -1.565 17.050 58 1HE LYS 7 2HE LYS 7 -16.335 -2.346 16.795 59 2HE LYS 7 1HE LYS 7 -15.523 -3.924 16.802 60 1HZ LYS 7 1HZ LYS 7 -14.604 -3.559 18.849 61 2HZ LYS 7 2HZ LYS 7 -16.064 -2.711 19.041 62 3HZ LYS 7 3HZ LYS 7 -14.629 -1.870 18.696 63 H ASP 8 H ASP 8 -14.486 -2.127 12.229 64 HA ASP 8 HA ASP 8 -14.766 -2.076 9.879 65 1HB ASP 8 2HB ASP 8 -13.817 0.400 10.953 66 2HB ASP 8 1HB ASP 8 -13.079 0.183 9.365 67 H LEU 9 H LEU 9 -13.600 -3.945 9.203 68 HA LEU 9 HA LEU 9 -10.939 -3.364 7.988 69 1HB LEU 9 2HB LEU 9 -10.117 -5.515 8.997 70 2HB LEU 9 1HB LEU 9 -10.506 -4.290 10.207 71 HG LEU 9 HG LEU 9 -12.752 -6.053 9.422 72 1HD1 LEU 9 1HD1 LEU 9 -11.297 -7.866 9.514 73 2HD1 LEU 9 2HD1 LEU 9 -11.747 -7.722 11.212 74 3HD1 LEU 9 3HD1 LEU 9 -10.210 -7.068 10.650 75 1HD2 LEU 9 1HD2 LEU 9 -11.971 -5.794 12.242 76 2HD2 LEU 9 2HD2 LEU 9 -13.505 -5.406 11.463 77 3HD2 LEU 9 3HD2 LEU 9 -12.182 -4.239 11.437 78 H LYS 10 H LYS 10 -12.727 -3.447 6.175 79 HA LYS 10 HA LYS 10 -12.739 -6.228 5.093 80 1HB LYS 10 2HB LYS 10 -14.862 -5.729 6.340 81 2HB LYS 10 1HB LYS 10 -15.152 -4.391 5.229 82 1HG LYS 10 2HG LYS 10 -15.941 -5.783 3.642 83 2HG LYS 10 1HG LYS 10 -14.523 -6.825 3.776 84 1HD LYS 10 2HD LYS 10 -16.595 -8.050 4.350 85 2HD LYS 10 1HD LYS 10 -15.509 -7.938 5.736 86 1HE LYS 10 2HE LYS 10 -17.183 -5.609 5.738 87 2HE LYS 10 1HE LYS 10 -18.215 -7.045 5.580 88 1HZ LYS 10 1HZ LYS 10 -17.651 -6.562 7.911 89 2HZ LYS 10 2HZ LYS 10 -16.002 -6.750 7.544 90 3HZ LYS 10 3HZ LYS 10 -17.061 -8.071 7.411 91 H ILE 11 H ILE 11 -11.424 -3.489 4.512 92 HA ILE 11 HA ILE 11 -12.270 -3.304 1.644 93 HB ILE 11 HB ILE 11 -11.778 -0.905 1.856 94 1HG1 ILE 11 2HG1 ILE 11 -10.958 -1.690 4.671 95 2HG1 ILE 11 1HG1 ILE 11 -9.946 -0.936 3.442 96 1HG2 ILE 11 1HG2 ILE 11 -13.314 -0.953 4.256 97 2HG2 ILE 11 2HG2 ILE 11 -13.799 -2.324 3.259 98 3HG2 ILE 11 3HG2 ILE 11 -13.874 -0.688 2.606 99 1HD1 ILE 11 1HD1 ILE 11 -11.320 1.086 3.503 100 2HD1 ILE 11 2HD1 ILE 11 -10.747 0.706 5.126 101 3HD1 ILE 11 3HD1 ILE 11 -12.409 0.334 4.668 102 H ASP 12 H ASP 12 -9.946 -1.267 1.614 103 HA ASP 12 HA ASP 12 -7.602 -2.869 2.134 104 1HB ASP 12 2HB ASP 12 -8.986 -3.397 -0.202 105 2HB ASP 12 1HB ASP 12 -7.730 -2.281 -0.741 106 H ILE 13 H ILE 13 -8.786 -0.215 0.036 107 HA ILE 13 HA ILE 13 -7.969 1.992 -0.218 108 HB ILE 13 HB ILE 13 -6.576 1.448 2.413 109 1HG1 ILE 13 2HG1 ILE 13 -9.486 2.224 2.060 110 2HG1 ILE 13 1HG1 ILE 13 -8.959 0.575 2.397 111 1HG2 ILE 13 1HG2 ILE 13 -6.090 3.636 1.919 112 2HG2 ILE 13 2HG2 ILE 13 -7.687 3.892 2.623 113 3HG2 ILE 13 3HG2 ILE 13 -7.496 3.822 0.870 114 1HD1 ILE 13 1HD1 ILE 13 -9.219 2.826 4.219 115 2HD1 ILE 13 2HD1 ILE 13 -7.596 2.139 4.272 116 3HD1 ILE 13 3HD1 ILE 13 -8.997 1.115 4.584 117 H LYS 14 H LYS 14 -5.689 3.233 -0.037 118 HA LYS 14 HA LYS 14 -3.813 1.759 -1.673 119 1HB LYS 14 2HB LYS 14 -3.489 4.342 -0.106 120 2HB LYS 14 1HB LYS 14 -2.519 3.834 -1.489 121 1HG LYS 14 2HG LYS 14 -5.384 3.763 -2.060 122 2HG LYS 14 1HG LYS 14 -4.830 5.375 -1.607 123 1HD LYS 14 2HD LYS 14 -2.829 4.717 -3.270 124 2HD LYS 14 1HD LYS 14 -4.100 3.716 -3.974 125 1HE LYS 14 2HE LYS 14 -4.342 6.701 -3.438 126 2HE LYS 14 1HE LYS 14 -4.062 5.963 -5.028 127 1HZ LYS 14 1HZ LYS 14 -6.457 5.911 -3.355 128 2HZ LYS 14 2HZ LYS 14 -6.091 4.494 -4.218 129 3HZ LYS 14 3HZ LYS 14 -6.322 5.960 -5.045 130 H THR 15 H THR 15 -4.398 1.772 1.673 131 HA THR 15 HA THR 15 -1.625 1.329 2.530 132 HB THR 15 HB THR 15 -2.865 0.835 4.707 133 HG1 THR 15 1HG THR 15 -4.977 0.906 4.676 134 1HG2 THR 15 1HG2 THR 15 -1.924 3.076 3.894 135 2HG2 THR 15 2HG2 THR 15 -3.170 3.146 5.141 136 3HG2 THR 15 3HG2 THR 15 -3.584 3.486 3.460 137 H SER 16 H SER 16 -0.766 -0.629 1.793 138 HA SER 16 HA SER 16 -2.298 -2.979 1.281 139 1HB SER 16 2HB SER 16 0.651 -2.572 1.853 140 2HB SER 16 1HB SER 16 -0.044 -4.006 1.122 141 HG SER 16 HG SER 16 -0.399 -2.933 -0.673 142 HA PRO 17 HA PRO 17 0.886 -4.053 2.652 143 1HB PRO 17 2HB PRO 17 2.001 -5.343 4.735 144 2HB PRO 17 1HB PRO 17 1.841 -3.589 4.718 145 1HG PRO 17 2HG PRO 17 0.561 -5.474 6.431 146 2HG PRO 17 1HG PRO 17 0.394 -3.715 6.426 147 1HD PRO 17 2HD PRO 17 -1.306 -5.758 5.132 148 2HD PRO 17 1HD PRO 17 -1.717 -4.175 5.772 149 HA PRO 18 HA PRO 18 -0.850 -8.500 3.225 150 1HB PRO 18 2HB PRO 18 -2.409 -8.814 0.979 151 2HB PRO 18 1HB PRO 18 -3.000 -8.290 2.581 152 1HG PRO 18 2HG PRO 18 -2.331 -6.621 0.208 153 2HG PRO 18 1HG PRO 18 -3.707 -6.521 1.311 154 1HD PRO 18 2HD PRO 18 -1.589 -4.886 1.559 155 2HD PRO 18 1HD PRO 18 -2.494 -5.469 2.968 156 HA PRO 19 HA PRO 19 1.614 -9.192 -0.809 157 1HB PRO 19 2HB PRO 19 2.880 -6.997 -1.852 158 2HB PRO 19 1HB PRO 19 1.281 -7.526 -2.419 159 1HG PRO 19 2HG PRO 19 1.989 -5.342 -0.523 160 2HG PRO 19 1HG PRO 19 0.754 -5.379 -1.791 161 1HD PRO 19 2HD PRO 19 0.189 -5.719 0.836 162 2HD PRO 19 1HD PRO 19 -0.764 -6.450 -0.464 163 H GLU 20 H GLU 20 2.466 -9.736 1.438 164 HA GLU 20 HA GLU 20 4.244 -8.232 2.996 165 1HB GLU 20 2HB GLU 20 5.103 -10.620 3.577 166 2HB GLU 20 1HB GLU 20 3.412 -10.230 3.880 167 1HG GLU 20 2HG GLU 20 2.664 -11.488 2.051 168 2HG GLU 20 1HG GLU 20 4.221 -11.399 1.229 169 H CYS 21 H CYS 21 5.314 -7.425 0.583 170 HA CYS 21 HA CYS 21 7.659 -9.111 0.015 171 1HB CYS 21 2HB CYS 21 8.145 -6.671 -1.235 172 2HB CYS 21 1HB CYS 21 7.435 -8.090 -1.978 173 HG CYS 21 HG CYS 21 5.569 -6.487 -2.408 174 H ILE 22 H ILE 22 6.888 -6.251 1.906 175 HA ILE 22 HA ILE 22 9.694 -5.608 2.505 176 HB ILE 22 HB ILE 22 7.119 -4.833 3.910 177 1HG1 ILE 22 2HG1 ILE 22 6.633 -3.577 2.144 178 2HG1 ILE 22 1HG1 ILE 22 8.072 -2.630 2.460 179 1HG2 ILE 22 1HG2 ILE 22 9.958 -4.139 4.238 180 2HG2 ILE 22 2HG2 ILE 22 8.628 -4.055 5.395 181 3HG2 ILE 22 3HG2 ILE 22 8.857 -2.765 4.215 182 1HD1 ILE 22 1HD1 ILE 22 7.677 -4.859 0.475 183 2HD1 ILE 22 2HD1 ILE 22 9.291 -4.520 1.096 184 3HD1 ILE 22 3HD1 ILE 22 8.403 -3.272 0.232 185 H ASN 23 H ASN 23 6.959 -6.823 4.457 186 HA ASN 23 HA ASN 23 8.603 -7.490 6.713 187 1HB ASN 23 2HB ASN 23 6.667 -8.722 7.464 188 2HB ASN 23 1HB ASN 23 6.113 -7.244 6.684 189 1HD2 ASN 23 1HD2 ASN 23 4.915 -10.112 6.996 190 2HD2 ASN 23 2HD2 ASN 23 4.422 -10.497 5.421 191 H ASP 24 H ASP 24 7.368 -9.616 4.063 192 HA ASP 24 HA ASP 24 8.708 -11.982 4.878 193 1HB ASP 24 2HB ASP 24 7.019 -11.623 2.998 194 2HB ASP 24 1HB ASP 24 8.345 -10.955 2.047 195 H LEU 25 H LEU 25 9.794 -8.975 3.594 196 HA LEU 25 HA LEU 25 12.392 -9.946 2.742 197 1HB LEU 25 2HB LEU 25 11.717 -8.163 1.480 198 2HB LEU 25 1HB LEU 25 10.831 -7.427 2.780 199 HG LEU 25 HG LEU 25 13.459 -7.274 3.682 200 1HD1 LEU 25 1HD1 LEU 25 13.678 -7.818 0.980 201 2HD1 LEU 25 2HD1 LEU 25 14.922 -7.149 2.039 202 3HD1 LEU 25 3HD1 LEU 25 13.880 -6.071 1.105 203 1HD2 LEU 25 1HD2 LEU 25 12.195 -5.401 4.038 204 2HD2 LEU 25 2HD2 LEU 25 11.539 -5.396 2.399 205 3HD2 LEU 25 3HD2 LEU 25 13.189 -4.846 2.691 206 H LEU 26 H LEU 26 11.291 -7.473 4.910 207 HA LEU 26 HA LEU 26 13.730 -7.247 6.280 208 1HB LEU 26 2HB LEU 26 12.345 -5.376 6.046 209 2HB LEU 26 1HB LEU 26 10.925 -6.266 6.560 210 HG LEU 26 HG LEU 26 11.888 -6.504 8.792 211 1HD1 LEU 26 1HD1 LEU 26 14.126 -6.239 8.921 212 2HD1 LEU 26 2HD1 LEU 26 13.818 -4.514 8.791 213 3HD1 LEU 26 3HD1 LEU 26 14.177 -5.443 7.346 214 1HD2 LEU 26 1HD2 LEU 26 11.018 -4.491 9.440 215 2HD2 LEU 26 2HD2 LEU 26 10.624 -4.333 7.729 216 3HD2 LEU 26 3HD2 LEU 26 12.082 -3.585 8.366 217 H GLN 27 H GLN 27 11.278 -9.578 6.625 218 HA GLN 27 HA GLN 27 11.317 -9.895 9.475 219 1HB GLN 27 2HB GLN 27 10.658 -11.588 7.060 220 2HB GLN 27 1HB GLN 27 10.526 -12.223 8.691 221 1HG GLN 27 2HG GLN 27 9.301 -9.573 8.272 222 2HG GLN 27 1HG GLN 27 8.516 -10.903 7.429 223 1HE2 GLN 27 1HE2 GLN 27 7.588 -9.319 9.818 224 2HE2 GLN 27 2HE2 GLN 27 7.287 -10.471 11.019 225 H ALA 28 H ALA 28 13.639 -10.265 7.024 226 HA ALA 28 HA ALA 28 15.169 -12.264 8.602 227 1HB ALA 28 1HB ALA 28 16.070 -11.882 5.886 228 2HB ALA 28 2HB ALA 28 14.326 -12.156 5.917 229 3HB ALA 28 3HB ALA 28 15.416 -13.338 6.642 230 H VAL 29 H VAL 29 15.293 -8.904 7.332 231 HA VAL 29 HA VAL 29 18.227 -9.001 7.928 232 HB VAL 29 HB VAL 29 18.040 -8.189 5.771 233 1HG1 VAL 29 1HG1 VAL 29 16.187 -6.761 4.977 234 2HG1 VAL 29 2HG1 VAL 29 15.482 -6.802 6.589 235 3HG1 VAL 29 3HG1 VAL 29 15.611 -8.284 5.638 236 1HG2 VAL 29 1HG2 VAL 29 17.502 -5.591 7.222 237 2HG2 VAL 29 2HG2 VAL 29 18.467 -5.841 5.766 238 3HG2 VAL 29 3HG2 VAL 29 19.050 -6.430 7.324 239 H ASP 30 H ASP 30 15.656 -8.538 9.698 240 HA ASP 30 HA ASP 30 15.208 -7.161 11.594 241 1HB ASP 30 2HB ASP 30 18.125 -7.670 11.248 242 2HB ASP 30 1HB ASP 30 17.650 -6.556 12.511 243 H SER 31 H SER 31 14.285 -5.241 10.499 244 HA SER 31 HA SER 31 16.098 -2.943 10.687 245 1HB SER 31 2HB SER 31 16.273 -4.618 8.560 246 2HB SER 31 1HB SER 31 15.098 -3.500 7.939 247 HG SER 31 HG SER 31 17.733 -3.078 8.849 248 H GLN 32 H GLN 32 13.953 -2.891 12.112 249 HA GLN 32 HA GLN 32 11.380 -2.502 11.144 250 1HB GLN 32 2HB GLN 32 12.566 -2.328 13.527 251 2HB GLN 32 1HB GLN 32 12.457 -0.600 13.187 252 1HG GLN 32 2HG GLN 32 10.200 -0.571 13.435 253 2HG GLN 32 1HG GLN 32 9.999 -2.094 12.569 254 1HE2 GLN 32 1HE2 GLN 32 9.016 -3.567 13.930 255 2HE2 GLN 32 2HE2 GLN 32 9.395 -3.784 15.567 256 H GLU 33 H GLU 33 14.151 -0.434 10.625 257 HA GLU 33 HA GLU 33 12.757 2.010 10.053 258 1HB GLU 33 2HB GLU 33 15.253 0.958 8.700 259 2HB GLU 33 1HB GLU 33 14.835 2.637 9.046 260 1HG GLU 33 2HG GLU 33 14.764 1.181 11.507 261 2HG GLU 33 1HG GLU 33 16.289 0.819 10.698 262 H VAL 34 H VAL 34 13.247 -0.970 8.295 263 HA VAL 34 HA VAL 34 12.342 0.132 5.733 264 HB VAL 34 HB VAL 34 13.582 -2.291 6.824 265 1HG1 VAL 34 1HG1 VAL 34 11.484 -3.408 6.377 266 2HG1 VAL 34 2HG1 VAL 34 12.604 -3.824 5.082 267 3HG1 VAL 34 3HG1 VAL 34 11.341 -2.626 4.807 268 1HG2 VAL 34 1HG2 VAL 34 14.734 -0.975 5.205 269 2HG2 VAL 34 2HG2 VAL 34 13.345 -0.957 4.119 270 3HG2 VAL 34 3HG2 VAL 34 14.254 -2.442 4.354 271 H ARG 35 H ARG 35 10.984 -1.841 8.376 272 HA ARG 35 HA ARG 35 8.359 -2.082 7.083 273 1HB ARG 35 2HB ARG 35 9.820 -3.042 9.367 274 2HB ARG 35 1HB ARG 35 8.235 -2.466 9.871 275 1HG ARG 35 2HG ARG 35 7.545 -3.836 7.640 276 2HG ARG 35 1HG ARG 35 8.942 -4.781 8.158 277 1HD ARG 35 2HD ARG 35 7.990 -5.202 10.308 278 2HD ARG 35 1HD ARG 35 6.715 -3.997 10.038 279 HE ARG 35 HE ARG 35 6.418 -5.733 7.906 280 1HH1 ARG 35 1HH2 ARG 35 6.857 -6.267 11.284 281 2HH1 ARG 35 2HH2 ARG 35 5.725 -7.574 11.359 282 1HH2 ARG 35 1HH1 ARG 35 4.818 -7.338 8.023 283 2HH2 ARG 35 2HH1 ARG 35 4.572 -8.178 9.517 284 H ASP 36 H ASP 36 9.860 -0.173 9.694 285 HA ASP 36 HA ASP 36 7.611 1.386 10.467 286 1HB ASP 36 2HB ASP 36 9.994 1.225 11.462 287 2HB ASP 36 1HB ASP 36 10.478 2.346 10.196 288 H TYR 37 H TYR 37 9.724 1.342 7.768 289 HA TYR 37 HA TYR 37 8.981 3.875 6.578 290 1HB TYR 37 2HB TYR 37 11.109 3.160 6.049 291 2HB TYR 37 1HB TYR 37 10.655 1.461 6.014 292 HD1 TYR 37 1HD TYR 37 9.292 0.582 4.145 293 HD2 TYR 37 2HD TYR 37 10.991 4.519 4.076 294 HE1 TYR 37 1HE TYR 37 8.800 0.730 1.745 295 HE2 TYR 37 2HE TYR 37 10.532 4.673 1.644 296 HH TYR 37 HH TYR 37 8.416 2.726 0.063 297 H CYS 38 H CYS 38 8.496 0.428 5.914 298 HA CYS 38 HA CYS 38 6.727 0.531 3.764 299 1HB CYS 38 2HB CYS 38 7.904 -1.399 4.925 300 2HB CYS 38 1HB CYS 38 6.637 -1.338 6.128 301 HG CYS 38 HG CYS 38 6.026 -3.066 4.197 302 H GLU 39 H GLU 39 5.889 0.483 7.252 303 HA GLU 39 HA GLU 39 3.063 0.965 6.751 304 1HB GLU 39 2HB GLU 39 3.090 1.291 9.231 305 2HB GLU 39 1HB GLU 39 3.965 -0.170 8.767 306 1HG GLU 39 2HG GLU 39 5.720 0.664 9.919 307 2HG GLU 39 1HG GLU 39 5.889 1.827 8.598 308 H LYS 40 H LYS 40 5.888 2.877 6.573 309 HA LYS 40 HA LYS 40 4.545 5.382 7.357 310 1HB LYS 40 2HB LYS 40 6.976 5.076 7.779 311 2HB LYS 40 1HB LYS 40 7.236 4.775 6.060 312 1HG LYS 40 2HG LYS 40 6.745 6.990 5.461 313 2HG LYS 40 1HG LYS 40 5.948 7.328 6.997 314 1HD LYS 40 2HD LYS 40 7.908 7.830 8.023 315 2HD LYS 40 1HD LYS 40 8.726 6.444 7.299 316 1HE LYS 40 2HE LYS 40 9.847 8.237 6.275 317 2HE LYS 40 1HE LYS 40 8.569 7.904 5.088 318 1HZ LYS 40 1HZ LYS 40 7.190 9.460 6.617 319 2HZ LYS 40 2HZ LYS 40 8.255 10.136 5.479 320 3HZ LYS 40 3HZ LYS 40 8.707 10.036 7.114 321 H LYS 41 H LYS 41 5.549 3.441 4.704 322 HA LYS 41 HA LYS 41 5.038 5.169 2.502 323 1HB LYS 41 2HB LYS 41 4.826 2.180 2.814 324 2HB LYS 41 1HB LYS 41 5.073 3.037 1.316 325 1HG LYS 41 2HG LYS 41 6.953 2.307 3.420 326 2HG LYS 41 1HG LYS 41 7.221 2.504 1.698 327 1HD LYS 41 2HD LYS 41 6.731 4.916 3.416 328 2HD LYS 41 1HD LYS 41 8.292 4.191 3.310 329 1HE LYS 41 2HE LYS 41 8.454 4.574 0.968 330 2HE LYS 41 1HE LYS 41 6.721 4.890 0.852 331 1HZ LYS 41 1HZ LYS 41 7.197 6.722 2.557 332 2HZ LYS 41 2HZ LYS 41 7.636 7.009 0.940 333 3HZ LYS 41 3HZ LYS 41 8.817 6.567 2.080 334 H GLY 42 H GLY 42 3.392 2.395 3.809 335 1HA GLY 42 2HA GLY 42 0.979 2.879 4.439 336 2HA GLY 42 1HA GLY 42 0.800 3.351 2.767 337 H TRP 43 H TRP 43 2.163 0.631 4.589 338 HA TRP 43 HA TRP 43 0.513 -1.221 2.928 339 1HB TRP 43 2HB TRP 43 2.993 -2.177 4.253 340 2HB TRP 43 1HB TRP 43 2.191 -2.822 2.881 341 HD1 TRP 43 HD TRP 43 3.215 0.810 3.050 342 HE1 TRP 43 1HE TRP 43 4.985 1.213 1.391 343 HE3 TRP 43 3HE TRP 43 4.141 -3.936 1.423 344 HZ2 TRP 43 2HZ TRP 43 6.726 -0.071 -0.322 345 HZ3 TRP 43 3HZ TRP 43 5.920 -4.303 -0.233 346 HH2 TRP 43 HH TRP 43 7.220 -2.388 -1.144 347 H ILE 44 H ILE 44 2.486 -0.661 5.575 348 HA ILE 44 HA ILE 44 2.079 -0.663 7.815 349 HB ILE 44 HB ILE 44 -0.442 -2.185 7.294 350 1HG1 ILE 44 2HG1 ILE 44 -0.543 0.765 7.509 351 2HG1 ILE 44 1HG1 ILE 44 0.093 0.152 6.008 352 1HG2 ILE 44 1HG2 ILE 44 -0.949 -0.432 9.299 353 2HG2 ILE 44 2HG2 ILE 44 0.805 -0.567 9.486 354 3HG2 ILE 44 3HG2 ILE 44 -0.214 -2.008 9.604 355 1HD1 ILE 44 1HD1 ILE 44 -1.903 -0.717 5.348 356 2HD1 ILE 44 2HD1 ILE 44 -2.569 0.437 6.506 357 3HD1 ILE 44 3HD1 ILE 44 -2.316 -1.242 6.980 358 H VAL 45 H VAL 45 2.943 -2.921 5.986 359 HA VAL 45 HA VAL 45 2.601 -5.496 6.683 360 HB VAL 45 HB VAL 45 5.122 -5.666 6.540 361 1HG1 VAL 45 1HG1 VAL 45 3.803 -5.759 4.522 362 2HG1 VAL 45 2HG1 VAL 45 5.205 -4.734 4.218 363 3HG1 VAL 45 3HG1 VAL 45 3.629 -4.005 4.515 364 1HG2 VAL 45 1HG2 VAL 45 4.867 -2.663 6.359 365 2HG2 VAL 45 2HG2 VAL 45 6.338 -3.578 6.032 366 3HG2 VAL 45 3HG2 VAL 45 5.661 -3.553 7.657 367 H ASN 46 H ASN 46 2.057 -6.277 8.715 368 HA ASN 46 HA ASN 46 3.991 -6.425 10.828 369 1HB ASN 46 2HB ASN 46 3.689 -4.097 11.139 370 2HB ASN 46 1HB ASN 46 1.950 -4.204 10.865 371 1HD2 ASN 46 1HD2 ASN 46 1.890 -3.023 13.050 372 2HD2 ASN 46 2HD2 ASN 46 1.945 -3.969 14.458 373 H ILE 47 H ILE 47 3.349 -8.467 11.435 374 HA ILE 47 HA ILE 47 0.733 -9.555 11.294 375 HB ILE 47 HB ILE 47 2.758 -10.885 11.509 376 1HG1 ILE 47 2HG1 ILE 47 1.944 -11.804 14.052 377 2HG1 ILE 47 1HG1 ILE 47 0.491 -11.156 13.289 378 1HG2 ILE 47 1HG2 ILE 47 4.352 -10.567 13.117 379 2HG2 ILE 47 2HG2 ILE 47 3.164 -10.209 14.370 380 3HG2 ILE 47 3HG2 ILE 47 3.626 -8.962 13.212 381 1HD1 ILE 47 1HD1 ILE 47 0.996 -13.608 12.793 382 2HD1 ILE 47 2HD1 ILE 47 2.378 -13.038 11.858 383 3HD1 ILE 47 3HD1 ILE 47 0.742 -12.581 11.384 384 H THR 48 H THR 48 -0.871 -9.863 12.968 385 HA THR 48 HA THR 48 -0.610 -7.970 15.283 386 HB THR 48 HB THR 48 -3.163 -8.779 13.877 387 HG1 THR 48 1HG THR 48 -1.977 -7.802 12.314 388 1HG2 THR 48 1HG2 THR 48 -3.633 -7.769 15.964 389 2HG2 THR 48 2HG2 THR 48 -3.787 -6.454 14.799 390 3HG2 THR 48 3HG2 THR 48 -2.329 -6.596 15.783 391 H SER 49 H SER 49 0.287 -10.076 16.296 392 HA SER 49 HA SER 49 -1.894 -11.977 17.053 393 1HB SER 49 2HB SER 49 0.737 -12.288 16.191 394 2HB SER 49 1HB SER 49 0.842 -12.552 17.929 395 HG SER 49 HG SER 49 -1.023 -13.794 16.179 396 H GLN 50 H GLN 50 1.025 -10.712 18.696 397 HA GLN 50 HA GLN 50 -0.644 -9.726 20.940 398 1HB GLN 50 2HB GLN 50 0.826 -11.095 22.507 399 2HB GLN 50 1HB GLN 50 -0.300 -12.033 21.526 400 1HG GLN 50 2HG GLN 50 1.366 -13.046 20.379 401 2HG GLN 50 1HG GLN 50 2.272 -11.543 20.204 402 1HE2 GLN 50 1HE2 GLN 50 3.897 -11.052 21.800 403 2HE2 GLN 50 2HE2 GLN 50 4.347 -12.153 23.012 404 H VAL 51 H VAL 51 1.051 -8.395 18.978 405 HA VAL 51 HA VAL 51 3.592 -7.737 20.294 406 HB VAL 51 HB VAL 51 2.217 -6.327 17.997 407 1HG1 VAL 51 1HG1 VAL 51 5.077 -6.737 18.890 408 2HG1 VAL 51 2HG1 VAL 51 4.218 -5.213 18.665 409 3HG1 VAL 51 3HG1 VAL 51 4.670 -6.186 17.265 410 1HG2 VAL 51 1HG2 VAL 51 3.552 -9.022 18.119 411 2HG2 VAL 51 2HG2 VAL 51 3.662 -8.055 16.649 412 3HG2 VAL 51 3HG2 VAL 51 2.084 -8.550 17.261 413 H GLN 52 H GLN 52 3.970 -5.920 21.555 414 HA GLN 52 HA GLN 52 1.988 -3.724 21.643 415 1HB GLN 52 2HB GLN 52 2.544 -5.703 23.860 416 2HB GLN 52 1HB GLN 52 1.910 -4.093 24.206 417 1HG GLN 52 2HG GLN 52 0.040 -4.548 22.596 418 2HG GLN 52 1HG GLN 52 0.634 -6.202 22.443 419 1HE2 GLN 52 1HE2 GLN 52 0.337 -7.649 24.262 420 2HE2 GLN 52 2HE2 GLN 52 -0.637 -7.236 25.590 421 H THR 53 H THR 53 4.490 -3.367 20.705 422 HA THR 53 HA THR 53 6.199 -2.450 22.976 423 HB THR 53 HB THR 53 7.980 -2.547 21.336 424 HG1 THR 53 1HG THR 53 7.255 -1.826 19.474 425 1HG2 THR 53 1HG2 THR 53 7.612 -4.909 20.421 426 2HG2 THR 53 2HG2 THR 53 6.020 -4.841 21.176 427 3HG2 THR 53 3HG2 THR 53 7.473 -4.718 22.169 428 H GLU 54 H GLU 54 3.771 -0.975 22.009 429 HA GLU 54 HA GLU 54 3.163 1.225 21.373 430 1HB GLU 54 2HB GLU 54 5.268 1.145 23.257 431 2HB GLU 54 1HB GLU 54 5.693 2.422 22.116 432 1HG GLU 54 2HG GLU 54 2.886 2.597 22.697 433 2HG GLU 54 1HG GLU 54 3.780 2.537 24.217 434 H ARG 55 H ARG 55 3.459 0.411 19.030 435 HA ARG 55 HA ARG 55 5.887 1.080 17.591 436 1HB ARG 55 2HB ARG 55 4.607 0.362 15.694 437 2HB ARG 55 1HB ARG 55 4.062 -0.632 17.046 438 1HG ARG 55 2HG ARG 55 2.293 1.286 17.376 439 2HG ARG 55 1HG ARG 55 2.654 1.646 15.686 440 1HD ARG 55 2HD ARG 55 2.294 -0.927 15.321 441 2HD ARG 55 1HD ARG 55 1.417 -0.836 16.861 442 HE ARG 55 HE ARG 55 0.641 1.328 15.113 443 1HH1 ARG 55 1HH2 ARG 55 0.455 -2.097 15.321 444 2HH1 ARG 55 2HH2 ARG 55 -1.193 -2.178 14.791 445 1HH2 ARG 55 1HH1 ARG 55 -1.575 1.264 14.597 446 2HH2 ARG 55 2HH1 ARG 55 -2.343 -0.275 14.380 447 H ASN 56 H ASN 56 4.813 2.430 15.334 448 HA ASN 56 HA ASN 56 4.602 4.667 14.583 449 1HB ASN 56 2HB ASN 56 2.410 3.798 16.154 450 2HB ASN 56 1HB ASN 56 2.719 5.472 16.621 451 1HD2 ASN 56 1HD2 ASN 56 1.094 6.579 15.462 452 2HD2 ASN 56 2HD2 ASN 56 0.909 6.496 13.776 453 H ILE 57 H ILE 57 6.810 4.350 16.326 454 HA ILE 57 HA ILE 57 6.950 6.003 18.600 455 HB ILE 57 HB ILE 57 9.396 6.179 17.865 456 1HG1 ILE 57 2HG1 ILE 57 8.640 4.277 15.668 457 2HG1 ILE 57 1HG1 ILE 57 8.539 6.013 15.372 458 1HG2 ILE 57 1HG2 ILE 57 8.330 4.261 19.176 459 2HG2 ILE 57 2HG2 ILE 57 9.811 3.864 18.304 460 3HG2 ILE 57 3HG2 ILE 57 8.246 3.389 17.645 461 1HD1 ILE 57 1HD1 ILE 57 10.954 6.028 16.437 462 2HD1 ILE 57 2HD1 ILE 57 10.738 5.593 14.742 463 3HD1 ILE 57 3HD1 ILE 57 10.951 4.331 15.956 464 H ASN 58 H ASN 58 8.496 8.110 18.444 465 HA ASN 58 HA ASN 58 7.004 10.036 16.745 466 1HB ASN 58 2HB ASN 58 9.060 10.377 18.955 467 2HB ASN 58 1HB ASN 58 8.097 11.672 18.246 468 1HD2 ASN 58 1HD2 ASN 58 5.699 11.551 18.585 469 2HD2 ASN 58 2HD2 ASN 58 5.089 10.713 19.929 470 H ARG 59 H ARG 59 8.067 9.378 14.702 471 HA ARG 59 HA ARG 59 10.984 9.898 14.499 472 1HB ARG 59 2HB ARG 59 9.328 8.022 13.438 473 2HB ARG 59 1HB ARG 59 9.331 9.206 12.132 474 1HG ARG 59 2HG ARG 59 11.729 7.838 13.375 475 2HG ARG 59 1HG ARG 59 11.155 7.691 11.714 476 1HD ARG 59 2HD ARG 59 11.784 9.949 11.195 477 2HD ARG 59 1HD ARG 59 12.064 10.328 12.906 478 HE ARG 59 HE ARG 59 13.807 8.342 12.676 479 1HH1 ARG 59 1HH2 ARG 59 14.830 11.108 12.154 480 2HH1 ARG 59 2HH2 ARG 59 15.567 10.935 10.596 481 1HH2 ARG 59 1HH1 ARG 59 13.963 7.945 9.874 482 2HH2 ARG 59 2HH1 ARG 59 15.076 9.144 9.304 483 H ALA 60 H ALA 60 8.775 12.040 14.843 484 HA ALA 60 HA ALA 60 9.777 13.806 12.664 485 1HB ALA 60 1HB ALA 60 6.989 12.818 13.125 486 2HB ALA 60 2HB ALA 60 7.826 13.133 11.605 487 3HB ALA 60 3HB ALA 60 7.194 14.476 12.558 488 1H MET 1 1HT MET 1 34.285 -11.306 -27.266 489 2H MET 1 2HT MET 1 33.404 -10.088 -26.473 490 3H MET 1 3HT MET 1 32.621 -11.146 -27.546 491 HA MET 1 HA MET 1 33.579 -12.947 -25.872 492 1HB MET 1 2HB MET 1 33.836 -10.273 -24.669 493 2HB MET 1 1HB MET 1 32.996 -11.430 -23.638 494 1HG MET 1 2HG MET 1 35.265 -12.712 -24.863 495 2HG MET 1 1HG MET 1 35.786 -11.226 -24.070 496 1HE MET 1 1HE MET 1 35.491 -14.870 -23.516 497 2HE MET 1 2HE MET 1 33.823 -14.440 -23.882 498 3HE MET 1 3HE MET 1 34.229 -15.088 -22.296 499 H GLY 2 H GLY 2 31.828 -13.375 -23.965 500 1HA GLY 2 2HA GLY 2 29.217 -12.241 -24.234 501 2HA GLY 2 1HA GLY 2 29.309 -13.706 -25.211 502 HA PRO 3 HA PRO 3 29.475 -14.659 -20.476 503 1HB PRO 3 2HB PRO 3 27.317 -13.509 -19.266 504 2HB PRO 3 1HB PRO 3 28.892 -12.697 -19.363 505 1HG PRO 3 2HG PRO 3 26.449 -12.298 -21.018 506 2HG PRO 3 1HG PRO 3 27.594 -11.100 -20.387 507 1HD PRO 3 2HD PRO 3 27.614 -11.986 -22.968 508 2HD PRO 3 1HD PRO 3 29.062 -11.395 -22.122 509 H LEU 4 H LEU 4 26.337 -13.901 -21.985 510 HA LEU 4 HA LEU 4 25.601 -16.790 -21.930 511 1HB LEU 4 2HB LEU 4 24.847 -14.979 -19.990 512 2HB LEU 4 1HB LEU 4 23.494 -14.896 -21.113 513 HG LEU 4 HG LEU 4 23.802 -17.571 -21.020 514 1HD1 LEU 4 1HD1 LEU 4 24.046 -17.550 -18.227 515 2HD1 LEU 4 2HD1 LEU 4 25.353 -16.513 -18.800 516 3HD1 LEU 4 3HD1 LEU 4 25.227 -18.175 -19.379 517 1HD2 LEU 4 1HD2 LEU 4 22.019 -15.639 -19.970 518 2HD2 LEU 4 2HD2 LEU 4 22.316 -16.790 -18.667 519 3HD2 LEU 4 3HD2 LEU 4 21.704 -17.355 -20.222 520 H GLN 5 H GLN 5 23.131 -16.732 -22.963 521 HA GLN 5 HA GLN 5 23.347 -16.098 -25.691 522 1HB GLN 5 2HB GLN 5 20.958 -16.436 -25.712 523 2HB GLN 5 1HB GLN 5 21.596 -17.468 -24.432 524 1HG GLN 5 2HG GLN 5 21.172 -15.359 -22.915 525 2HG GLN 5 1HG GLN 5 20.051 -14.905 -24.200 526 1HE2 GLN 5 1HE2 GLN 5 18.625 -16.976 -24.921 527 2HE2 GLN 5 2HE2 GLN 5 17.956 -17.846 -23.625 528 H TYR 6 H TYR 6 22.741 -14.027 -22.966 529 HA TYR 6 HA TYR 6 22.231 -11.722 -22.810 530 1HB TYR 6 2HB TYR 6 24.575 -12.132 -23.932 531 2HB TYR 6 1HB TYR 6 23.784 -11.505 -25.379 532 HD1 TYR 6 1HD TYR 6 22.204 -9.352 -24.812 533 HD2 TYR 6 2HD TYR 6 25.714 -10.559 -22.646 534 HE1 TYR 6 1HE TYR 6 22.477 -7.038 -23.966 535 HE2 TYR 6 2HE TYR 6 25.987 -8.242 -21.802 536 HH TYR 6 HH TYR 6 25.252 -5.874 -22.663 537 H LYS 7 H LYS 7 19.928 -11.930 -23.348 538 HA LYS 7 HA LYS 7 19.172 -10.411 -25.721 539 1HB LYS 7 2HB LYS 7 19.199 -13.368 -25.661 540 2HB LYS 7 1HB LYS 7 17.702 -12.657 -26.264 541 1HG LYS 7 2HG LYS 7 19.394 -11.124 -27.633 542 2HG LYS 7 1HG LYS 7 20.464 -12.507 -27.400 543 1HD LYS 7 2HD LYS 7 19.005 -13.975 -28.544 544 2HD LYS 7 1HD LYS 7 17.644 -12.861 -28.412 545 1HE LYS 7 2HE LYS 7 19.172 -11.245 -29.818 546 2HE LYS 7 1HE LYS 7 20.002 -12.745 -30.279 547 1HZ LYS 7 1HZ LYS 7 17.950 -12.032 -31.632 548 2HZ LYS 7 2HZ LYS 7 17.056 -12.585 -30.299 549 3HZ LYS 7 3HZ LYS 7 18.071 -13.652 -31.145 550 H ASP 8 H ASP 8 16.499 -11.261 -25.897 551 HA ASP 8 HA ASP 8 15.202 -9.889 -23.812 552 1HB ASP 8 2HB ASP 8 14.503 -11.880 -25.915 553 2HB ASP 8 1HB ASP 8 13.302 -11.611 -24.651 554 H LEU 9 H LEU 9 13.857 -10.768 -22.040 555 HA LEU 9 HA LEU 9 15.253 -12.718 -20.426 556 1HB LEU 9 2HB LEU 9 13.281 -12.352 -18.939 557 2HB LEU 9 1HB LEU 9 13.958 -10.832 -19.526 558 HG LEU 9 HG LEU 9 12.028 -11.774 -21.429 559 1HD1 LEU 9 1HD1 LEU 9 11.184 -11.795 -18.529 560 2HD1 LEU 9 2HD1 LEU 9 10.871 -13.009 -19.770 561 3HD1 LEU 9 3HD1 LEU 9 10.030 -11.459 -19.820 562 1HD2 LEU 9 1HD2 LEU 9 12.091 -9.431 -19.499 563 2HD2 LEU 9 2HD2 LEU 9 10.964 -9.585 -20.847 564 3HD2 LEU 9 3HD2 LEU 9 12.694 -9.439 -21.156 565 H LYS 10 H LYS 10 14.474 -14.837 -19.809 566 HA LYS 10 HA LYS 10 12.243 -15.987 -21.408 567 1HB LYS 10 2HB LYS 10 14.529 -16.156 -22.573 568 2HB LYS 10 1HB LYS 10 14.979 -17.275 -21.285 569 1HG LYS 10 2HG LYS 10 14.111 -18.471 -23.279 570 2HG LYS 10 1HG LYS 10 13.093 -18.734 -21.863 571 1HD LYS 10 2HD LYS 10 12.313 -16.361 -23.395 572 2HD LYS 10 1HD LYS 10 12.204 -17.850 -24.335 573 1HE LYS 10 2HE LYS 10 11.137 -17.942 -21.547 574 2HE LYS 10 1HE LYS 10 10.186 -17.057 -22.756 575 1HZ LYS 10 1HZ LYS 10 11.340 -19.609 -23.573 576 2HZ LYS 10 2HZ LYS 10 9.854 -18.905 -24.001 577 3HZ LYS 10 3HZ LYS 10 10.029 -19.680 -22.499 578 H ILE 11 H ILE 11 12.390 -15.418 -18.593 579 HA ILE 11 HA ILE 11 12.500 -18.185 -17.448 580 HB ILE 11 HB ILE 11 13.321 -17.149 -15.423 581 1HG1 ILE 11 2HG1 ILE 11 13.445 -14.393 -16.484 582 2HG1 ILE 11 1HG1 ILE 11 11.808 -14.960 -16.158 583 1HG2 ILE 11 1HG2 ILE 11 14.602 -15.882 -17.849 584 2HG2 ILE 11 2HG2 ILE 11 14.992 -17.466 -17.179 585 3HG2 ILE 11 3HG2 ILE 11 15.349 -16.005 -16.257 586 1HD1 ILE 11 1HD1 ILE 11 12.648 -13.944 -14.135 587 2HD1 ILE 11 2HD1 ILE 11 14.132 -14.894 -14.218 588 3HD1 ILE 11 3HD1 ILE 11 12.595 -15.688 -13.877 589 H ASP 12 H ASP 12 11.427 -16.672 -14.979 590 HA ASP 12 HA ASP 12 8.969 -15.471 -15.489 591 1HB ASP 12 2HB ASP 12 9.056 -18.231 -16.212 592 2HB ASP 12 1HB ASP 12 7.973 -18.065 -14.835 593 H ILE 13 H ILE 13 9.200 -18.389 -13.469 594 HA ILE 13 HA ILE 13 8.905 -16.643 -11.058 595 HB ILE 13 HB ILE 13 8.378 -19.595 -11.540 596 1HG1 ILE 13 2HG1 ILE 13 6.171 -17.708 -10.957 597 2HG1 ILE 13 1HG1 ILE 13 6.943 -17.493 -12.528 598 1HG2 ILE 13 1HG2 ILE 13 8.937 -18.704 -9.149 599 2HG2 ILE 13 2HG2 ILE 13 7.505 -19.710 -9.364 600 3HG2 ILE 13 3HG2 ILE 13 7.341 -17.958 -9.235 601 1HD1 ILE 13 1HD1 ILE 13 6.679 -20.011 -12.854 602 2HD1 ILE 13 2HD1 ILE 13 5.184 -19.076 -12.875 603 3HD1 ILE 13 3HD1 ILE 13 5.631 -19.990 -11.436 604 H LYS 14 H LYS 14 10.955 -16.224 -10.247 605 HA LYS 14 HA LYS 14 12.494 -18.281 -8.995 606 1HB LYS 14 2HB LYS 14 12.916 -17.782 -11.860 607 2HB LYS 14 1HB LYS 14 14.402 -17.689 -10.914 608 1HG LYS 14 2HG LYS 14 12.803 -19.938 -10.046 609 2HG LYS 14 1HG LYS 14 13.095 -20.028 -11.783 610 1HD LYS 14 2HD LYS 14 15.533 -19.202 -10.592 611 2HD LYS 14 1HD LYS 14 14.930 -20.554 -9.631 612 1HE LYS 14 2HE LYS 14 14.484 -21.680 -11.961 613 2HE LYS 14 1HE LYS 14 15.672 -20.500 -12.548 614 1HZ LYS 14 1HZ LYS 14 16.078 -22.805 -10.894 615 2HZ LYS 14 2HZ LYS 14 16.724 -21.400 -10.195 616 3HZ LYS 14 3HZ LYS 14 17.213 -21.881 -11.748 617 H THR 15 H THR 15 13.891 -15.699 -10.975 618 HA THR 15 HA THR 15 14.656 -14.259 -8.457 619 HB THR 15 HB THR 15 16.482 -13.408 -10.079 620 HG1 THR 15 1HG THR 15 16.443 -14.220 -12.000 621 1HG2 THR 15 1HG2 THR 15 16.913 -14.996 -8.262 622 2HG2 THR 15 2HG2 THR 15 17.826 -15.447 -9.703 623 3HG2 THR 15 3HG2 THR 15 16.354 -16.323 -9.281 624 H SER 16 H SER 16 13.272 -12.490 -8.232 625 HA SER 16 HA SER 16 11.845 -11.291 -10.398 626 1HB SER 16 2HB SER 16 12.532 -10.259 -7.631 627 2HB SER 16 1HB SER 16 11.265 -9.626 -8.662 628 HG SER 16 HG SER 16 10.135 -11.445 -8.415 629 HA PRO 17 HA PRO 17 12.632 -8.620 -8.086 630 1HB PRO 17 2HB PRO 17 14.006 -6.322 -7.852 631 2HB PRO 17 1HB PRO 17 14.694 -7.863 -7.348 632 1HG PRO 17 2HG PRO 17 15.531 -6.152 -9.468 633 2HG PRO 17 1HG PRO 17 16.227 -7.699 -8.973 634 1HD PRO 17 2HD PRO 17 14.237 -7.135 -11.090 635 2HD PRO 17 1HD PRO 17 15.467 -8.386 -10.990 636 HA PRO 18 HA PRO 18 11.372 -5.395 -11.418 637 1HB PRO 18 2HB PRO 18 9.199 -6.603 -12.595 638 2HB PRO 18 1HB PRO 18 10.877 -6.693 -13.195 639 1HG PRO 18 2HG PRO 18 9.373 -8.681 -11.566 640 2HG PRO 18 1HG PRO 18 10.425 -8.928 -12.965 641 1HD PRO 18 2HD PRO 18 11.304 -9.329 -10.459 642 2HD PRO 18 1HD PRO 18 12.362 -8.696 -11.736 643 HA PRO 19 HA PRO 19 7.405 -5.296 -8.771 644 1HB PRO 19 2HB PRO 19 7.322 -6.993 -6.624 645 2HB PRO 19 1HB PRO 19 6.600 -7.415 -8.190 646 1HG PRO 19 2HG PRO 19 9.195 -8.266 -7.013 647 2HG PRO 19 1HG PRO 19 8.033 -9.191 -7.975 648 1HD PRO 19 2HD PRO 19 10.331 -8.155 -8.986 649 2HD PRO 19 1HD PRO 19 8.878 -8.441 -9.952 650 H GLU 20 H GLU 20 9.226 -3.655 -8.548 651 HA GLU 20 HA GLU 20 11.253 -3.619 -6.611 652 1HB GLU 20 2HB GLU 20 10.828 -1.064 -6.810 653 2HB GLU 20 1HB GLU 20 11.252 -1.961 -8.265 654 1HG GLU 20 2HG GLU 20 9.078 -1.866 -9.112 655 2HG GLU 20 1HG GLU 20 8.359 -1.650 -7.517 656 H CYS 21 H CYS 21 9.358 -4.756 -4.957 657 HA CYS 21 HA CYS 21 8.143 -2.613 -3.345 658 1HB CYS 21 2HB CYS 21 7.969 -4.924 -1.801 659 2HB CYS 21 1HB CYS 21 6.729 -4.302 -2.871 660 HG CYS 21 HG CYS 21 7.139 -6.734 -3.640 661 H ILE 22 H ILE 22 11.033 -4.611 -3.282 662 HA ILE 22 HA ILE 22 11.820 -3.788 -0.570 663 HB ILE 22 HB ILE 22 13.435 -4.961 -2.855 664 1HG1 ILE 22 2HG1 ILE 22 12.328 -6.864 -2.546 665 2HG1 ILE 22 1HG1 ILE 22 12.993 -6.952 -0.927 666 1HG2 ILE 22 1HG2 ILE 22 13.985 -4.297 -0.032 667 2HG2 ILE 22 2HG2 ILE 22 15.084 -4.397 -1.408 668 3HG2 ILE 22 3HG2 ILE 22 14.572 -5.866 -0.576 669 1HD1 ILE 22 1HD1 ILE 22 10.278 -5.988 -1.806 670 2HD1 ILE 22 2HD1 ILE 22 10.974 -5.379 -0.306 671 3HD1 ILE 22 3HD1 ILE 22 10.692 -7.103 -0.506 672 H ASN 23 H ASN 23 13.145 -3.165 -3.829 673 HA ASN 23 HA ASN 23 14.927 -1.105 -2.933 674 1HB ASN 23 2HB ASN 23 15.123 -0.574 -5.284 675 2HB ASN 23 1HB ASN 23 15.017 -2.324 -5.117 676 1HD2 ASN 23 1HD2 ASN 23 14.140 -0.280 -7.315 677 2HD2 ASN 23 2HD2 ASN 23 12.550 -0.756 -7.666 678 H ASP 24 H ASP 24 11.654 -0.792 -4.442 679 HA ASP 24 HA ASP 24 11.442 2.025 -4.208 680 1HB ASP 24 2HB ASP 24 9.871 0.336 -5.312 681 2HB ASP 24 1HB ASP 24 9.263 -0.018 -3.694 682 H LEU 25 H LEU 25 11.485 -0.527 -1.892 683 HA LEU 25 HA LEU 25 10.324 1.035 0.264 684 1HB LEU 25 2HB LEU 25 9.862 -1.198 0.501 685 2HB LEU 25 1HB LEU 25 11.354 -1.704 -0.229 686 HG LEU 25 HG LEU 25 12.201 -0.416 2.097 687 1HD1 LEU 25 1HD1 LEU 25 9.515 -0.915 2.494 688 2HD1 LEU 25 2HD1 LEU 25 10.731 -0.579 3.730 689 3HD1 LEU 25 3HD1 LEU 25 10.342 -2.246 3.300 690 1HD2 LEU 25 1HD2 LEU 25 13.338 -2.337 1.622 691 2HD2 LEU 25 2HD2 LEU 25 11.872 -3.232 1.206 692 3HD2 LEU 25 3HD2 LEU 25 12.279 -2.942 2.897 693 H LEU 26 H LEU 26 13.267 -0.741 -0.137 694 HA LEU 26 HA LEU 26 14.637 0.547 1.937 695 1HB LEU 26 2HB LEU 26 15.151 -1.670 1.383 696 2HB LEU 26 1HB LEU 26 15.264 -1.296 -0.326 697 HG LEU 26 HG LEU 26 17.223 0.100 0.122 698 1HD1 LEU 26 1HD1 LEU 26 17.398 0.792 2.271 699 2HD1 LEU 26 2HD1 LEU 26 18.072 -0.800 2.575 700 3HD1 LEU 26 3HD1 LEU 26 16.364 -0.516 2.850 701 1HD2 LEU 26 1HD2 LEU 26 18.524 -1.727 -0.208 702 2HD2 LEU 26 2HD2 LEU 26 17.050 -2.673 -0.004 703 3HD2 LEU 26 3HD2 LEU 26 18.111 -2.389 1.372 704 H GLN 27 H GLN 27 14.000 1.636 -1.217 705 HA GLN 27 HA GLN 27 16.475 2.984 -1.770 706 1HB GLN 27 2HB GLN 27 13.584 3.187 -2.626 707 2HB GLN 27 1HB GLN 27 14.800 4.294 -3.243 708 1HG GLN 27 2HG GLN 27 15.553 1.444 -3.297 709 2HG GLN 27 1HG GLN 27 14.240 1.891 -4.379 710 1HE2 GLN 27 1HE2 GLN 27 17.024 1.110 -5.077 711 2HE2 GLN 27 2HE2 GLN 27 17.660 2.408 -5.957 712 H ALA 28 H ALA 28 14.112 3.312 0.636 713 HA ALA 28 HA ALA 28 14.668 6.210 0.989 714 1HB ALA 28 1HB ALA 28 12.388 5.185 2.441 715 2HB ALA 28 2HB ALA 28 12.298 4.712 0.741 716 3HB ALA 28 3HB ALA 28 12.436 6.416 1.176 717 H VAL 29 H VAL 29 14.914 3.001 2.602 718 HA VAL 29 HA VAL 29 15.477 4.530 5.116 719 HB VAL 29 HB VAL 29 13.840 3.006 5.665 720 1HG1 VAL 29 1HG1 VAL 29 13.641 0.757 4.660 721 2HG1 VAL 29 2HG1 VAL 29 15.050 1.094 3.663 722 3HG1 VAL 29 3HG1 VAL 29 13.572 2.040 3.459 723 1HG2 VAL 29 1HG2 VAL 29 16.250 1.182 5.840 724 2HG2 VAL 29 2HG2 VAL 29 14.800 1.124 6.839 725 3HG2 VAL 29 3HG2 VAL 29 15.918 2.480 6.986 726 H ASP 30 H ASP 30 17.244 3.693 2.636 727 HA ASP 30 HA ASP 30 19.531 3.056 2.415 728 1HB ASP 30 2HB ASP 30 19.039 4.538 4.953 729 2HB ASP 30 1HB ASP 30 20.637 3.861 4.719 730 H SER 31 H SER 31 19.295 0.666 2.471 731 HA SER 31 HA SER 31 20.393 -0.431 4.962 732 1HB SER 31 2HB SER 31 17.780 0.251 4.839 733 2HB SER 31 1HB SER 31 17.657 -1.387 4.273 734 HG SER 31 HG SER 31 18.656 -0.350 6.698 735 H GLN 32 H GLN 32 21.744 -0.843 2.819 736 HA GLN 32 HA GLN 32 21.057 -2.578 0.764 737 1HB GLN 32 2HB GLN 32 23.279 -1.352 1.513 738 2HB GLN 32 1HB GLN 32 23.663 -2.928 2.209 739 1HG GLN 32 2HG GLN 32 23.953 -3.893 0.171 740 2HG GLN 32 1HG GLN 32 22.575 -3.043 -0.527 741 1HE2 GLN 32 1HE2 GLN 32 23.263 -1.746 -2.209 742 2HE2 GLN 32 2HE2 GLN 32 24.695 -0.841 -2.220 743 H GLU 33 H GLU 33 21.333 -3.378 4.155 744 HA GLU 33 HA GLU 33 21.815 -6.201 3.871 745 1HB GLU 33 2HB GLU 33 20.150 -4.810 5.982 746 2HB GLU 33 1HB GLU 33 21.118 -6.272 6.163 747 1HG GLU 33 2HG GLU 33 22.841 -4.215 5.195 748 2HG GLU 33 1HG GLU 33 21.935 -3.558 6.558 749 H VAL 34 H VAL 34 19.046 -4.139 3.499 750 HA VAL 34 HA VAL 34 17.094 -6.319 3.492 751 HB VAL 34 HB VAL 34 17.220 -3.360 3.391 752 1HG1 VAL 34 1HG1 VAL 34 16.110 -3.646 1.260 753 2HG1 VAL 34 2HG1 VAL 34 14.889 -3.199 2.450 754 3HG1 VAL 34 3HG1 VAL 34 15.039 -4.876 1.926 755 1HG2 VAL 34 1HG2 VAL 34 16.488 -4.981 5.271 756 2HG2 VAL 34 2HG2 VAL 34 14.977 -5.125 4.374 757 3HG2 VAL 34 3HG2 VAL 34 15.497 -3.556 4.988 758 H ARG 35 H ARG 35 18.788 -4.296 1.102 759 HA ARG 35 HA ARG 35 17.479 -5.596 -1.187 760 1HB ARG 35 2HB ARG 35 19.237 -3.402 -0.559 761 2HB ARG 35 1HB ARG 35 19.892 -4.338 -1.897 762 1HG ARG 35 2HG ARG 35 17.276 -4.205 -2.625 763 2HG ARG 35 1HG ARG 35 17.457 -2.662 -1.785 764 1HD ARG 35 2HD ARG 35 19.247 -1.977 -3.212 765 2HD ARG 35 1HD ARG 35 19.421 -3.614 -3.873 766 HE ARG 35 HE ARG 35 16.766 -2.929 -4.382 767 1HH1 ARG 35 1HH2 ARG 35 19.701 -1.198 -4.832 768 2HH1 ARG 35 2HH2 ARG 35 19.299 -0.657 -6.427 769 1HH2 ARG 35 1HH1 ARG 35 16.315 -2.414 -6.562 770 2HH2 ARG 35 2HH1 ARG 35 17.384 -1.344 -7.405 771 H ASP 36 H ASP 36 20.644 -5.661 0.460 772 HA ASP 36 HA ASP 36 21.950 -7.614 -1.142 773 1HB ASP 36 2HB ASP 36 22.815 -6.164 0.825 774 2HB ASP 36 1HB ASP 36 22.096 -7.375 1.880 775 H TYR 37 H TYR 37 19.462 -7.681 1.216 776 HA TYR 37 HA TYR 37 19.352 -10.534 1.677 777 1HB TYR 37 2HB TYR 37 18.584 -9.245 3.428 778 2HB TYR 37 1HB TYR 37 17.879 -8.024 2.374 779 HD1 TYR 37 1HD TYR 37 15.815 -8.510 1.121 780 HD2 TYR 37 2HD TYR 37 17.326 -11.169 4.125 781 HE1 TYR 37 1HE TYR 37 13.675 -9.707 1.108 782 HE2 TYR 37 2HE TYR 37 15.160 -12.375 4.142 783 HH TYR 37 HH TYR 37 12.955 -12.195 1.756 784 H CYS 38 H CYS 38 17.374 -8.082 0.052 785 HA CYS 38 HA CYS 38 15.454 -9.670 -1.187 786 1HB CYS 38 2HB CYS 38 15.766 -7.147 -1.028 787 2HB CYS 38 1HB CYS 38 16.879 -7.294 -2.369 788 HG CYS 38 HG CYS 38 14.522 -6.814 -3.371 789 H GLU 39 H GLU 39 18.647 -8.718 -2.512 790 HA GLU 39 HA GLU 39 18.378 -10.441 -4.844 791 1HB GLU 39 2HB GLU 39 20.792 -9.802 -5.082 792 2HB GLU 39 1HB GLU 39 19.771 -8.394 -4.772 793 1HG GLU 39 2HG GLU 39 21.107 -7.935 -3.015 794 2HG GLU 39 1HG GLU 39 20.407 -9.357 -2.231 795 H LYS 40 H LYS 40 18.984 -10.962 -1.522 796 HA LYS 40 HA LYS 40 20.690 -13.328 -1.944 797 1HB LYS 40 2HB LYS 40 20.957 -11.926 0.089 798 2HB LYS 40 1HB LYS 40 19.260 -12.188 0.492 799 1HG LYS 40 2HG LYS 40 19.588 -14.456 0.981 800 2HG LYS 40 1HG LYS 40 21.127 -14.514 0.122 801 1HD LYS 40 2HD LYS 40 22.270 -13.828 1.946 802 2HD LYS 40 1HD LYS 40 21.137 -12.504 2.221 803 1HE LYS 40 2HE LYS 40 20.883 -13.876 4.148 804 2HE LYS 40 1HE LYS 40 19.530 -14.363 3.108 805 1HZ LYS 40 1HZ LYS 40 21.052 -16.057 2.134 806 2HZ LYS 40 2HZ LYS 40 20.661 -16.336 3.764 807 3HZ LYS 40 3HZ LYS 40 22.176 -15.688 3.349 808 H LYS 41 H LYS 41 17.488 -12.247 -1.326 809 HA LYS 41 HA LYS 41 16.148 -14.701 -0.798 810 1HB LYS 41 2HB LYS 41 15.255 -12.164 -2.156 811 2HB LYS 41 1HB LYS 41 14.217 -13.326 -1.370 812 1HG LYS 41 2HG LYS 41 15.861 -11.190 -0.252 813 2HG LYS 41 1HG LYS 41 14.360 -11.876 0.342 814 1HD LYS 41 2HD LYS 41 16.896 -13.473 0.503 815 2HD LYS 41 1HD LYS 41 16.513 -12.277 1.683 816 1HE LYS 41 2HE LYS 41 14.507 -13.384 2.337 817 2HE LYS 41 1HE LYS 41 14.545 -14.402 0.893 818 1HZ LYS 41 1HZ LYS 41 16.792 -15.168 1.726 819 2HZ LYS 41 2HZ LYS 41 15.444 -15.729 2.594 820 3HZ LYS 41 3HZ LYS 41 16.386 -14.458 3.212 821 H GLY 42 H GLY 42 16.265 -12.573 -3.556 822 1HA GLY 42 2HA GLY 42 17.052 -13.758 -5.669 823 2HA GLY 42 1HA GLY 42 15.695 -14.820 -5.390 824 H TRP 43 H TRP 43 16.254 -11.314 -5.412 825 HA TRP 43 HA TRP 43 14.043 -11.048 -7.400 826 1HB TRP 43 2HB TRP 43 14.833 -8.749 -5.699 827 2HB TRP 43 1HB TRP 43 13.328 -9.054 -6.463 828 HD1 TRP 43 HD TRP 43 14.910 -11.624 -4.191 829 HE1 TRP 43 1HE TRP 43 13.553 -11.835 -2.159 830 HE3 TRP 43 3HE TRP 43 11.545 -7.844 -4.851 831 HZ2 TRP 43 2HZ TRP 43 11.478 -10.674 -0.767 832 HZ3 TRP 43 3HZ TRP 43 9.880 -7.415 -3.090 833 HH2 TRP 43 HH TRP 43 9.806 -8.826 -1.043 834 H ILE 44 H ILE 44 16.683 -9.769 -5.783 835 HA ILE 44 HA ILE 44 18.737 -9.106 -6.498 836 HB ILE 44 HB ILE 44 17.675 -9.022 -9.291 837 1HG1 ILE 44 2HG1 ILE 44 19.003 -11.492 -8.353 838 2HG1 ILE 44 1HG1 ILE 44 17.385 -11.249 -7.758 839 1HG2 ILE 44 1HG2 ILE 44 20.200 -10.012 -9.412 840 2HG2 ILE 44 2HG2 ILE 44 20.321 -9.112 -7.894 841 3HG2 ILE 44 3HG2 ILE 44 19.873 -8.278 -9.388 842 1HD1 ILE 44 1HD1 ILE 44 16.442 -11.558 -9.794 843 2HD1 ILE 44 2HD1 ILE 44 17.982 -12.318 -10.212 844 3HD1 ILE 44 3HD1 ILE 44 17.697 -10.623 -10.609 845 H VAL 45 H VAL 45 16.124 -7.535 -6.324 846 HA VAL 45 HA VAL 45 15.732 -5.276 -7.695 847 HB VAL 45 HB VAL 45 15.575 -4.137 -5.429 848 1HG1 VAL 45 1HG1 VAL 45 13.661 -5.287 -6.348 849 2HG1 VAL 45 2HG1 VAL 45 13.778 -5.680 -4.634 850 3HG1 VAL 45 3HG1 VAL 45 14.314 -6.845 -5.844 851 1HG2 VAL 45 1HG2 VAL 45 16.510 -6.856 -4.503 852 2HG2 VAL 45 2HG2 VAL 45 15.937 -5.555 -3.459 853 3HG2 VAL 45 3HG2 VAL 45 17.436 -5.361 -4.367 854 H ASN 46 H ASN 46 17.405 -4.354 -8.917 855 HA ASN 46 HA ASN 46 19.153 -2.448 -7.685 856 1HB ASN 46 2HB ASN 46 20.372 -4.273 -6.791 857 2HB ASN 46 1HB ASN 46 20.203 -5.219 -8.269 858 1HD2 ASN 46 1HD2 ASN 46 22.595 -5.424 -8.349 859 2HD2 ASN 46 2HD2 ASN 46 23.543 -4.121 -8.880 860 H ILE 47 H ILE 47 19.273 -4.799 -10.408 861 HA ILE 47 HA ILE 47 18.971 -2.630 -12.368 862 HB ILE 47 HB ILE 47 21.336 -2.458 -11.664 863 1HG1 ILE 47 2HG1 ILE 47 21.082 -3.724 -14.412 864 2HG1 ILE 47 1HG1 ILE 47 20.673 -2.046 -14.048 865 1HG2 ILE 47 1HG2 ILE 47 21.791 -4.685 -10.900 866 2HG2 ILE 47 2HG2 ILE 47 22.831 -4.423 -12.299 867 3HG2 ILE 47 3HG2 ILE 47 21.358 -5.378 -12.462 868 1HD1 ILE 47 1HD1 ILE 47 23.023 -1.741 -13.189 869 2HD1 ILE 47 2HD1 ILE 47 22.929 -2.080 -14.917 870 3HD1 ILE 47 3HD1 ILE 47 23.392 -3.357 -13.791 871 H THR 48 H THR 48 19.229 -3.602 -14.663 872 HA THR 48 HA THR 48 18.430 -6.496 -14.657 873 HB THR 48 HB THR 48 16.528 -4.938 -14.964 874 HG1 THR 48 1HG THR 48 15.801 -5.864 -16.869 875 1HG2 THR 48 1HG2 THR 48 17.770 -3.037 -15.877 876 2HG2 THR 48 2HG2 THR 48 16.486 -3.503 -16.993 877 3HG2 THR 48 3HG2 THR 48 18.155 -3.963 -17.328 878 H SER 49 H SER 49 21.116 -5.556 -15.101 879 HA SER 49 HA SER 49 21.410 -5.988 -18.057 880 1HB SER 49 2HB SER 49 22.115 -3.773 -17.318 881 2HB SER 49 1HB SER 49 23.092 -4.477 -16.032 882 HG SER 49 HG SER 49 23.502 -4.457 -18.812 883 H GLN 50 H GLN 50 23.694 -6.185 -15.319 884 HA GLN 50 HA GLN 50 24.917 -8.606 -16.369 885 1HB GLN 50 2HB GLN 50 25.810 -6.607 -14.894 886 2HB GLN 50 1HB GLN 50 25.219 -7.591 -13.554 887 1HG GLN 50 2HG GLN 50 27.228 -8.632 -13.672 888 2HG GLN 50 1HG GLN 50 26.561 -9.446 -15.087 889 1HE2 GLN 50 1HE2 GLN 50 26.705 -7.803 -17.161 890 2HE2 GLN 50 2HE2 GLN 50 28.245 -7.121 -17.373 891 H VAL 51 H VAL 51 23.213 -10.205 -16.412 892 HA VAL 51 HA VAL 51 22.148 -11.004 -13.724 893 HB VAL 51 HB VAL 51 20.554 -10.268 -15.522 894 1HG1 VAL 51 1HG1 VAL 51 20.876 -10.999 -17.625 895 2HG1 VAL 51 2HG1 VAL 51 20.564 -12.650 -17.091 896 3HG1 VAL 51 3HG1 VAL 51 22.208 -12.016 -17.079 897 1HG2 VAL 51 1HG2 VAL 51 20.528 -13.069 -14.413 898 2HG2 VAL 51 2HG2 VAL 51 19.211 -12.509 -15.443 899 3HG2 VAL 51 3HG2 VAL 51 19.558 -11.679 -13.927 900 H GLN 52 H GLN 52 22.153 -13.285 -13.223 901 HA GLN 52 HA GLN 52 23.912 -14.967 -14.976 902 1HB GLN 52 2HB GLN 52 24.438 -13.883 -12.412 903 2HB GLN 52 1HB GLN 52 24.149 -15.606 -12.170 904 1HG GLN 52 2HG GLN 52 25.790 -15.090 -14.529 905 2HG GLN 52 1HG GLN 52 26.529 -14.465 -13.054 906 1HE2 GLN 52 1HE2 GLN 52 26.484 -17.195 -14.921 907 2HE2 GLN 52 2HE2 GLN 52 26.775 -18.367 -13.729 908 H THR 53 H THR 53 22.417 -16.446 -15.753 909 HA THR 53 HA THR 53 20.310 -17.511 -13.956 910 HB THR 53 HB THR 53 19.440 -18.439 -16.040 911 HG1 THR 53 1HG THR 53 20.670 -18.259 -17.930 912 1HG2 THR 53 1HG2 THR 53 20.412 -15.615 -15.987 913 2HG2 THR 53 2HG2 THR 53 18.760 -16.233 -15.998 914 3HG2 THR 53 3HG2 THR 53 19.708 -16.219 -17.486 915 H GLU 54 H GLU 54 20.141 -19.791 -13.508 916 HA GLU 54 HA GLU 54 22.756 -21.216 -13.570 917 1HB GLU 54 2HB GLU 54 21.630 -20.968 -11.427 918 2HB GLU 54 1HB GLU 54 20.140 -21.637 -12.093 919 1HG GLU 54 2HG GLU 54 21.476 -23.744 -12.627 920 2HG GLU 54 1HG GLU 54 22.760 -23.070 -11.622 921 H ARG 55 H ARG 55 19.696 -21.201 -15.157 922 HA ARG 55 HA ARG 55 20.106 -24.008 -16.119 923 1HB ARG 55 2HB ARG 55 17.787 -22.202 -15.602 924 2HB ARG 55 1HB ARG 55 17.623 -23.361 -16.923 925 1HG ARG 55 2HG ARG 55 18.620 -24.223 -14.210 926 2HG ARG 55 1HG ARG 55 16.894 -24.133 -14.563 927 1HD ARG 55 2HD ARG 55 17.145 -25.700 -16.424 928 2HD ARG 55 1HD ARG 55 18.904 -25.735 -16.187 929 HE ARG 55 HE ARG 55 17.279 -26.405 -13.816 930 1HH1 ARG 55 1HH1 ARG 55 20.207 -27.130 -14.581 931 2HH1 ARG 55 2HH1 ARG 55 20.045 -28.839 -14.809 932 1HH2 ARG 55 1HH2 ARG 55 16.582 -28.759 -14.950 933 2HH2 ARG 55 2HH2 ARG 55 17.993 -29.760 -15.018 934 H ASN 56 H ASN 56 21.815 -23.079 -17.616 935 HA ASN 56 HA ASN 56 21.352 -21.136 -19.612 936 1HB ASN 56 2HB ASN 56 23.298 -23.014 -18.875 937 2HB ASN 56 1HB ASN 56 22.883 -23.437 -20.537 938 1HD2 ASN 56 1HD2 ASN 56 24.969 -22.593 -21.313 939 2HD2 ASN 56 2HD2 ASN 56 25.251 -20.921 -21.403 940 H ILE 57 H ILE 57 21.062 -21.671 -22.021 941 HA ILE 57 HA ILE 57 19.049 -23.868 -22.374 942 HB ILE 57 HB ILE 57 19.067 -20.955 -23.102 943 1HG1 ILE 57 2HG1 ILE 57 16.972 -22.912 -22.106 944 2HG1 ILE 57 1HG1 ILE 57 17.822 -21.712 -21.133 945 1HG2 ILE 57 1HG2 ILE 57 18.520 -21.515 -25.247 946 2HG2 ILE 57 2HG2 ILE 57 16.943 -21.871 -24.542 947 3HG2 ILE 57 3HG2 ILE 57 18.102 -23.173 -24.814 948 1HD1 ILE 57 1HD1 ILE 57 15.437 -21.138 -22.032 949 2HD1 ILE 57 2HD1 ILE 57 16.267 -20.856 -23.563 950 3HD1 ILE 57 3HD1 ILE 57 16.702 -19.913 -22.137 951 H ASN 58 H ASN 58 21.863 -22.209 -23.608 952 HA ASN 58 HA ASN 58 21.970 -22.788 -26.309 953 1HB ASN 58 2HB ASN 58 23.756 -22.245 -24.171 954 2HB ASN 58 1HB ASN 58 24.431 -23.619 -25.048 955 1HD2 ASN 58 1HD2 ASN 58 25.751 -21.120 -25.182 956 2HD2 ASN 58 2HD2 ASN 58 25.575 -20.479 -26.744 957 H ARG 59 H ARG 59 22.102 -25.092 -23.642 958 HA ARG 59 HA ARG 59 22.281 -27.317 -25.652 959 1HB ARG 59 2HB ARG 59 23.757 -26.666 -23.224 960 2HB ARG 59 1HB ARG 59 23.047 -28.279 -23.132 961 1HG ARG 59 2HG ARG 59 24.038 -28.822 -25.342 962 2HG ARG 59 1HG ARG 59 24.793 -27.229 -25.377 963 1HD ARG 59 2HD ARG 59 26.127 -27.746 -23.411 964 2HD ARG 59 1HD ARG 59 25.276 -29.290 -23.198 965 HE ARG 59 HE ARG 59 26.155 -29.570 -25.737 966 1HH1 ARG 59 1HH1 ARG 59 27.580 -30.121 -22.868 967 2HH1 ARG 59 2HH1 ARG 59 29.216 -29.848 -23.370 968 1HH2 ARG 59 1HH2 ARG 59 28.329 -28.460 -26.420 969 2HH2 ARG 59 2HH2 ARG 59 29.640 -28.908 -25.380 970 H ALA 60 H ALA 60 20.999 -26.404 -22.436 971 HA ALA 60 HA ALA 60 19.039 -27.116 -21.321 972 1HB ALA 60 1HB ALA 60 18.285 -26.146 -23.597 973 2HB ALA 60 2HB ALA 60 17.139 -27.186 -22.752 974 3HB ALA 60 3HB ALA 60 18.081 -27.825 -24.099 Start of MODEL 2 1 1H MET 1 1HT MET 1 -19.467 -8.207 -3.271 2 2H MET 1 2HT MET 1 -19.230 -9.635 -4.162 3 3H MET 1 3HT MET 1 -20.173 -9.659 -2.750 4 HA MET 1 HA MET 1 -20.876 -8.749 -5.439 5 1HB MET 1 2HB MET 1 -21.494 -10.856 -3.915 6 2HB MET 1 1HB MET 1 -22.705 -9.738 -3.286 7 1HG MET 1 2HG MET 1 -22.370 -9.985 -6.255 8 2HG MET 1 1HG MET 1 -23.251 -11.243 -5.389 9 1HE MET 1 1HE MET 1 -24.495 -10.132 -7.477 10 2HE MET 1 2HE MET 1 -25.846 -9.035 -7.205 11 3HE MET 1 3HE MET 1 -25.859 -10.636 -6.470 12 H GLY 2 H GLY 2 -20.337 -6.403 -4.812 13 1HA GLY 2 2HA GLY 2 -22.607 -5.220 -3.256 14 2HA GLY 2 1HA GLY 2 -20.987 -4.522 -3.267 15 HA PRO 3 HA PRO 3 -23.481 -2.462 -6.581 16 1HB PRO 3 2HB PRO 3 -22.896 0.088 -5.801 17 2HB PRO 3 1HB PRO 3 -24.251 -0.829 -5.111 18 1HG PRO 3 2HG PRO 3 -21.528 -0.342 -3.996 19 2HG PRO 3 1HG PRO 3 -23.101 -0.346 -3.174 20 1HD PRO 3 2HD PRO 3 -21.357 -2.434 -3.070 21 2HD PRO 3 1HD PRO 3 -23.120 -2.631 -2.943 22 H LEU 4 H LEU 4 -20.381 -1.470 -5.153 23 HA LEU 4 HA LEU 4 -19.138 -1.472 -7.863 24 1HB LEU 4 2HB LEU 4 -20.067 0.792 -6.564 25 2HB LEU 4 1HB LEU 4 -18.366 0.760 -6.112 26 HG LEU 4 HG LEU 4 -17.938 0.324 -8.646 27 1HD1 LEU 4 1HD1 LEU 4 -20.443 1.870 -9.097 28 2HD1 LEU 4 2HD1 LEU 4 -20.624 0.144 -8.788 29 3HD1 LEU 4 3HD1 LEU 4 -19.641 0.699 -10.143 30 1HD2 LEU 4 1HD2 LEU 4 -17.514 2.592 -8.901 31 2HD2 LEU 4 2HD2 LEU 4 -17.719 2.518 -7.151 32 3HD2 LEU 4 3HD2 LEU 4 -19.049 3.067 -8.172 33 H GLN 5 H GLN 5 -16.616 -0.784 -7.304 34 HA GLN 5 HA GLN 5 -15.415 -2.938 -5.956 35 1HB GLN 5 2HB GLN 5 -14.702 -0.289 -6.985 36 2HB GLN 5 1HB GLN 5 -13.693 -0.772 -5.621 37 1HG GLN 5 2HG GLN 5 -14.162 -2.339 -8.173 38 2HG GLN 5 1HG GLN 5 -12.655 -1.579 -7.662 39 1HE2 GLN 5 1HE2 GLN 5 -14.428 -4.497 -7.561 40 2HE2 GLN 5 2HE2 GLN 5 -13.523 -5.280 -6.357 41 H TYR 6 H TYR 6 -16.946 -0.100 -4.666 42 HA TYR 6 HA TYR 6 -17.179 0.706 -2.457 43 1HB TYR 6 2HB TYR 6 -17.918 -1.931 -2.722 44 2HB TYR 6 1HB TYR 6 -16.802 -2.003 -1.356 45 HD1 TYR 6 1HD TYR 6 -17.358 -1.038 0.767 46 HD2 TYR 6 2HD TYR 6 -19.901 -0.408 -2.636 47 HE1 TYR 6 1HE TYR 6 -19.101 -0.084 2.248 48 HE2 TYR 6 2HE TYR 6 -21.647 0.545 -1.156 49 HH TYR 6 HH TYR 6 -21.244 0.586 2.370 50 H LYS 7 H LYS 7 -16.114 0.093 -0.062 51 HA LYS 7 HA LYS 7 -14.146 0.311 1.229 52 1HB LYS 7 2HB LYS 7 -13.931 -1.839 -0.577 53 2HB LYS 7 1HB LYS 7 -12.387 -0.992 -0.684 54 1HG LYS 7 2HG LYS 7 -12.701 -0.975 1.994 55 2HG LYS 7 1HG LYS 7 -13.593 -2.449 1.611 56 1HD LYS 7 2HD LYS 7 -11.706 -3.583 1.086 57 2HD LYS 7 1HD LYS 7 -11.056 -2.234 0.155 58 1HE LYS 7 2HE LYS 7 -9.607 -1.864 1.860 59 2HE LYS 7 1HE LYS 7 -10.997 -1.402 2.863 60 1HZ LYS 7 1HZ LYS 7 -10.064 -3.223 3.971 61 2HZ LYS 7 2HZ LYS 7 -9.782 -4.081 2.531 62 3HZ LYS 7 3HZ LYS 7 -11.367 -3.891 3.113 63 H ASP 8 H ASP 8 -14.672 2.601 -0.170 64 HA ASP 8 HA ASP 8 -13.629 4.558 -0.987 65 1HB ASP 8 2HB ASP 8 -11.549 2.900 0.338 66 2HB ASP 8 1HB ASP 8 -10.955 4.194 -0.704 67 H LEU 9 H LEU 9 -11.446 5.029 -2.529 68 HA LEU 9 HA LEU 9 -12.086 3.578 -5.018 69 1HB LEU 9 2HB LEU 9 -10.485 5.995 -4.191 70 2HB LEU 9 1HB LEU 9 -10.299 5.324 -5.813 71 HG LEU 9 HG LEU 9 -12.934 6.169 -4.569 72 1HD1 LEU 9 1HD1 LEU 9 -11.037 7.880 -5.407 73 2HD1 LEU 9 2HD1 LEU 9 -12.755 8.182 -5.669 74 3HD1 LEU 9 3HD1 LEU 9 -11.771 7.505 -6.967 75 1HD2 LEU 9 1HD2 LEU 9 -13.437 5.989 -7.194 76 2HD2 LEU 9 2HD2 LEU 9 -13.593 4.594 -6.126 77 3HD2 LEU 9 3HD2 LEU 9 -12.139 4.798 -7.103 78 H LYS 10 H LYS 10 -9.651 3.567 -6.334 79 HA LYS 10 HA LYS 10 -8.029 1.641 -4.697 80 1HB LYS 10 2HB LYS 10 -7.570 0.562 -6.881 81 2HB LYS 10 1HB LYS 10 -9.304 0.659 -6.573 82 1HG LYS 10 2HG LYS 10 -9.588 1.848 -8.460 83 2HG LYS 10 1HG LYS 10 -8.483 3.084 -7.856 84 1HD LYS 10 2HD LYS 10 -7.678 2.172 -9.997 85 2HD LYS 10 1HD LYS 10 -6.563 1.770 -8.690 86 1HE LYS 10 2HE LYS 10 -6.902 -0.456 -8.975 87 2HE LYS 10 1HE LYS 10 -8.664 -0.249 -9.017 88 1HZ LYS 10 1HZ LYS 10 -7.717 -0.978 -11.173 89 2HZ LYS 10 2HZ LYS 10 -6.844 0.476 -11.251 90 3HZ LYS 10 3HZ LYS 10 -8.543 0.499 -11.270 91 H ILE 11 H ILE 11 -7.764 4.677 -5.146 92 HA ILE 11 HA ILE 11 -4.958 4.603 -6.201 93 HB ILE 11 HB ILE 11 -5.556 7.022 -6.899 94 1HG1 ILE 11 2HG1 ILE 11 -8.365 5.907 -6.729 95 2HG1 ILE 11 1HG1 ILE 11 -7.691 6.966 -5.488 96 1HG2 ILE 11 1HG2 ILE 11 -5.733 4.579 -8.170 97 2HG2 ILE 11 2HG2 ILE 11 -5.752 6.163 -8.941 98 3HG2 ILE 11 3HG2 ILE 11 -7.270 5.357 -8.544 99 1HD1 ILE 11 1HD1 ILE 11 -9.044 8.049 -7.434 100 2HD1 ILE 11 2HD1 ILE 11 -7.593 7.758 -8.392 101 3HD1 ILE 11 3HD1 ILE 11 -7.513 8.789 -6.963 102 H ASP 12 H ASP 12 -5.576 7.689 -5.332 103 HA ASP 12 HA ASP 12 -4.661 8.958 -3.608 104 1HB ASP 12 2HB ASP 12 -7.027 8.098 -3.003 105 2HB ASP 12 1HB ASP 12 -6.203 7.014 -1.891 106 H ILE 13 H ILE 13 -4.645 7.198 -0.889 107 HA ILE 13 HA ILE 13 -1.866 6.154 -1.349 108 HB ILE 13 HB ILE 13 -3.118 7.398 1.124 109 1HG1 ILE 13 2HG1 ILE 13 -0.994 8.529 -0.720 110 2HG1 ILE 13 1HG1 ILE 13 -2.703 8.952 -0.831 111 1HG2 ILE 13 1HG2 ILE 13 -0.473 7.519 1.555 112 2HG2 ILE 13 2HG2 ILE 13 -0.507 6.082 0.533 113 3HG2 ILE 13 3HG2 ILE 13 -1.432 6.117 2.034 114 1HD1 ILE 13 1HD1 ILE 13 -1.025 9.283 1.672 115 2HD1 ILE 13 2HD1 ILE 13 -2.687 9.826 1.438 116 3HD1 ILE 13 3HD1 ILE 13 -1.376 10.583 0.532 117 H LYS 14 H LYS 14 -3.745 4.315 -1.869 118 HA LYS 14 HA LYS 14 -5.126 2.883 0.038 119 1HB LYS 14 2HB LYS 14 -3.822 2.415 -2.501 120 2HB LYS 14 1HB LYS 14 -3.693 0.979 -1.483 121 1HG LYS 14 2HG LYS 14 -6.344 2.222 -1.366 122 2HG LYS 14 1HG LYS 14 -5.911 1.680 -2.988 123 1HD LYS 14 2HD LYS 14 -5.269 -0.540 -2.008 124 2HD LYS 14 1HD LYS 14 -5.899 0.014 -0.456 125 1HE LYS 14 2HE LYS 14 -7.634 0.154 -2.922 126 2HE LYS 14 1HE LYS 14 -7.501 -1.355 -1.997 127 1HZ LYS 14 1HZ LYS 14 -8.009 -0.096 0.023 128 2HZ LYS 14 2HZ LYS 14 -9.276 0.004 -1.104 129 3HZ LYS 14 3HZ LYS 14 -8.214 1.312 -0.897 130 H THR 15 H THR 15 -4.623 1.597 1.791 131 HA THR 15 HA THR 15 -1.752 1.422 2.582 132 HB THR 15 HB THR 15 -2.904 0.865 4.807 133 HG1 THR 15 1HG THR 15 -5.143 2.091 4.369 134 1HG2 THR 15 1HG2 THR 15 -1.924 3.023 4.492 135 2HG2 THR 15 2HG2 THR 15 -3.550 3.304 5.115 136 3HG2 THR 15 3HG2 THR 15 -3.215 3.520 3.397 137 H SER 16 H SER 16 -0.884 -0.535 1.861 138 HA SER 16 HA SER 16 -2.422 -2.880 1.327 139 1HB SER 16 2HB SER 16 0.533 -2.474 1.867 140 2HB SER 16 1HB SER 16 -0.164 -3.909 1.140 141 HG SER 16 HG SER 16 -0.157 -1.257 0.167 142 HA PRO 17 HA PRO 17 0.777 -3.994 2.649 143 1HB PRO 17 2HB PRO 17 1.909 -5.292 4.716 144 2HB PRO 17 1HB PRO 17 1.752 -3.539 4.702 145 1HG PRO 17 2HG PRO 17 0.485 -5.422 6.429 146 2HG PRO 17 1HG PRO 17 0.321 -3.663 6.427 147 1HD PRO 17 2HD PRO 17 -1.392 -5.700 5.140 148 2HD PRO 17 1HD PRO 17 -1.795 -4.121 5.795 149 HA PRO 18 HA PRO 18 -0.982 -8.425 3.193 150 1HB PRO 18 2HB PRO 18 -2.555 -8.712 0.958 151 2HB PRO 18 1HB PRO 18 -3.134 -8.173 2.558 152 1HG PRO 18 2HG PRO 18 -2.440 -6.525 0.178 153 2HG PRO 18 1HG PRO 18 -3.813 -6.398 1.281 154 1HD PRO 18 2HD PRO 18 -1.669 -4.797 1.523 155 2HD PRO 18 1HD PRO 18 -2.589 -5.359 2.930 156 HA PRO 19 HA PRO 19 1.482 -9.126 -0.796 157 1HB PRO 19 2HB PRO 19 2.751 -6.964 -1.893 158 2HB PRO 19 1HB PRO 19 1.138 -7.484 -2.419 159 1HG PRO 19 2HG PRO 19 1.917 -5.225 -0.672 160 2HG PRO 19 1HG PRO 19 0.573 -5.365 -1.814 161 1HD PRO 19 2HD PRO 19 0.366 -5.604 0.926 162 2HD PRO 19 1HD PRO 19 -0.816 -6.202 -0.242 163 H GLU 20 H GLU 20 2.358 -9.657 1.435 164 HA GLU 20 HA GLU 20 4.164 -8.172 2.967 165 1HB GLU 20 2HB GLU 20 5.009 -10.560 3.547 166 2HB GLU 20 1HB GLU 20 3.323 -10.160 3.859 167 1HG GLU 20 2HG GLU 20 2.635 -11.771 2.439 168 2HG GLU 20 1HG GLU 20 3.628 -11.102 1.142 169 H CYS 21 H CYS 21 5.234 -7.373 0.545 170 HA CYS 21 HA CYS 21 7.563 -9.084 -0.014 171 1HB CYS 21 2HB CYS 21 8.087 -6.660 -1.267 172 2HB CYS 21 1HB CYS 21 7.360 -8.069 -2.012 173 HG CYS 21 HG CYS 21 5.741 -6.059 -2.410 174 H ILE 22 H ILE 22 6.820 -6.204 1.851 175 HA ILE 22 HA ILE 22 9.627 -5.575 2.440 176 HB ILE 22 HB ILE 22 7.063 -4.785 3.858 177 1HG1 ILE 22 2HG1 ILE 22 6.572 -3.529 2.092 178 2HG1 ILE 22 1HG1 ILE 22 8.015 -2.584 2.403 179 1HG2 ILE 22 1HG2 ILE 22 8.825 -2.726 4.139 180 2HG2 ILE 22 2HG2 ILE 22 9.906 -4.118 4.179 181 3HG2 ILE 22 3HG2 ILE 22 8.575 -4.000 5.332 182 1HD1 ILE 22 1HD1 ILE 22 8.343 -3.221 0.179 183 2HD1 ILE 22 2HD1 ILE 22 7.602 -4.803 0.415 184 3HD1 ILE 22 3HD1 ILE 22 9.219 -4.483 1.037 185 H ASN 23 H ASN 23 6.893 -6.753 4.415 186 HA ASN 23 HA ASN 23 8.518 -7.408 6.673 187 1HB ASN 23 2HB ASN 23 6.582 -8.642 7.423 188 2HB ASN 23 1HB ASN 23 6.016 -7.188 6.608 189 1HD2 ASN 23 1HD2 ASN 23 4.959 -10.149 6.939 190 2HD2 ASN 23 2HD2 ASN 23 4.467 -10.541 5.365 191 H ASP 24 H ASP 24 7.351 -9.508 3.987 192 HA ASP 24 HA ASP 24 8.669 -11.890 4.867 193 1HB ASP 24 2HB ASP 24 6.921 -11.576 3.030 194 2HB ASP 24 1HB ASP 24 8.220 -10.944 2.018 195 H LEU 25 H LEU 25 9.713 -8.933 3.436 196 HA LEU 25 HA LEU 25 12.295 -9.894 2.523 197 1HB LEU 25 2HB LEU 25 11.634 -8.036 1.353 198 2HB LEU 25 1HB LEU 25 10.768 -7.353 2.697 199 HG LEU 25 HG LEU 25 13.391 -7.254 3.592 200 1HD1 LEU 25 1HD1 LEU 25 13.851 -5.979 1.073 201 2HD1 LEU 25 2HD1 LEU 25 13.607 -7.711 0.867 202 3HD1 LEU 25 3HD1 LEU 25 14.864 -7.117 1.958 203 1HD2 LEU 25 1HD2 LEU 25 12.246 -5.349 4.008 204 2HD2 LEU 25 2HD2 LEU 25 11.459 -5.343 2.427 205 3HD2 LEU 25 3HD2 LEU 25 13.129 -4.796 2.585 206 H LEU 26 H LEU 26 11.224 -7.526 4.829 207 HA LEU 26 HA LEU 26 13.687 -7.371 6.179 208 1HB LEU 26 2HB LEU 26 12.298 -5.478 5.992 209 2HB LEU 26 1HB LEU 26 10.891 -6.372 6.535 210 HG LEU 26 HG LEU 26 11.962 -6.666 8.725 211 1HD1 LEU 26 1HD1 LEU 26 13.828 -4.604 8.669 212 2HD1 LEU 26 2HD1 LEU 26 14.152 -5.511 7.202 213 3HD1 LEU 26 3HD1 LEU 26 14.199 -6.318 8.772 214 1HD2 LEU 26 1HD2 LEU 26 10.681 -4.425 7.673 215 2HD2 LEU 26 2HD2 LEU 26 12.076 -3.758 8.511 216 3HD2 LEU 26 3HD2 LEU 26 10.920 -4.762 9.386 217 H GLN 27 H GLN 27 11.427 -9.770 6.263 218 HA GLN 27 HA GLN 27 11.173 -10.339 9.062 219 1HB GLN 27 2HB GLN 27 10.782 -11.611 6.409 220 2HB GLN 27 1HB GLN 27 10.942 -12.688 7.786 221 1HG GLN 27 2HG GLN 27 9.216 -10.433 8.403 222 2HG GLN 27 1HG GLN 27 8.624 -11.332 7.008 223 1HE2 GLN 27 1HE2 GLN 27 9.756 -13.912 7.964 224 2HE2 GLN 27 2HE2 GLN 27 8.784 -14.407 9.261 225 H ALA 28 H ALA 28 13.789 -10.334 6.858 226 HA ALA 28 HA ALA 28 15.305 -12.187 8.613 227 1HB ALA 28 1HB ALA 28 15.846 -13.438 6.809 228 2HB ALA 28 2HB ALA 28 16.132 -12.016 5.804 229 3HB ALA 28 3HB ALA 28 14.488 -12.623 6.033 230 H VAL 29 H VAL 29 15.315 -8.945 7.165 231 HA VAL 29 HA VAL 29 18.278 -8.928 7.596 232 HB VAL 29 HB VAL 29 17.923 -8.123 5.447 233 1HG1 VAL 29 1HG1 VAL 29 15.984 -6.736 4.789 234 2HG1 VAL 29 2HG1 VAL 29 15.399 -6.788 6.446 235 3HG1 VAL 29 3HG1 VAL 29 15.486 -8.268 5.489 236 1HG2 VAL 29 1HG2 VAL 29 19.050 -6.364 6.840 237 2HG2 VAL 29 2HG2 VAL 29 17.479 -5.588 7.049 238 3HG2 VAL 29 3HG2 VAL 29 18.194 -5.713 5.442 239 H ASP 30 H ASP 30 15.778 -8.552 9.488 240 HA ASP 30 HA ASP 30 15.372 -7.198 11.408 241 1HB ASP 30 2HB ASP 30 18.277 -7.645 10.938 242 2HB ASP 30 1HB ASP 30 17.843 -6.528 12.215 243 H SER 31 H SER 31 14.358 -5.288 10.354 244 HA SER 31 HA SER 31 16.134 -2.960 10.478 245 1HB SER 31 2HB SER 31 16.289 -4.626 8.353 246 2HB SER 31 1HB SER 31 15.047 -3.558 7.764 247 HG SER 31 HG SER 31 17.697 -3.036 8.570 248 H GLN 32 H GLN 32 14.073 -2.943 11.979 249 HA GLN 32 HA GLN 32 11.440 -2.559 11.177 250 1HB GLN 32 2HB GLN 32 12.919 -2.298 13.450 251 2HB GLN 32 1HB GLN 32 12.542 -0.609 13.120 252 1HG GLN 32 2HG GLN 32 10.170 -2.124 12.675 253 2HG GLN 32 1HG GLN 32 10.834 -2.616 14.234 254 1HE2 GLN 32 1HE2 GLN 32 9.101 -0.143 12.600 255 2HE2 GLN 32 2HE2 GLN 32 9.113 0.995 13.853 256 H GLU 33 H GLU 33 14.181 -0.475 10.527 257 HA GLU 33 HA GLU 33 12.721 1.955 10.022 258 1HB GLU 33 2HB GLU 33 15.270 0.896 8.761 259 2HB GLU 33 1HB GLU 33 14.773 2.585 8.854 260 1HG GLU 33 2HG GLU 33 14.640 1.984 11.466 261 2HG GLU 33 1HG GLU 33 15.874 0.818 10.985 262 H VAL 34 H VAL 34 13.239 -1.003 8.252 263 HA VAL 34 HA VAL 34 12.325 0.077 5.687 264 HB VAL 34 HB VAL 34 13.538 -2.348 6.809 265 1HG1 VAL 34 1HG1 VAL 34 11.715 -3.687 6.336 266 2HG1 VAL 34 2HG1 VAL 34 12.511 -3.692 4.765 267 3HG1 VAL 34 3HG1 VAL 34 11.130 -2.634 5.052 268 1HG2 VAL 34 1HG2 VAL 34 14.295 -2.526 4.391 269 2HG2 VAL 34 2HG2 VAL 34 14.707 -1.013 5.195 270 3HG2 VAL 34 3HG2 VAL 34 13.353 -1.076 4.068 271 H ARG 35 H ARG 35 10.978 -1.881 8.339 272 HA ARG 35 HA ARG 35 8.340 -2.110 7.066 273 1HB ARG 35 2HB ARG 35 9.821 -3.073 9.337 274 2HB ARG 35 1HB ARG 35 8.231 -2.509 9.847 275 1HG ARG 35 2HG ARG 35 7.551 -3.875 7.608 276 2HG ARG 35 1HG ARG 35 8.956 -4.811 8.123 277 1HD ARG 35 2HD ARG 35 7.995 -5.300 10.240 278 2HD ARG 35 1HD ARG 35 6.752 -4.050 10.035 279 HE ARG 35 HE ARG 35 6.385 -5.708 7.844 280 1HH1 ARG 35 1HH2 ARG 35 6.923 -6.476 11.154 281 2HH1 ARG 35 2HH2 ARG 35 5.685 -7.683 11.215 282 1HH2 ARG 35 1HH1 ARG 35 4.605 -7.129 7.969 283 2HH2 ARG 35 2HH1 ARG 35 4.374 -8.053 9.416 284 H ASP 36 H ASP 36 9.868 -0.218 9.675 285 HA ASP 36 HA ASP 36 7.625 1.351 10.458 286 1HB ASP 36 2HB ASP 36 9.997 1.182 11.466 287 2HB ASP 36 1HB ASP 36 10.504 2.283 10.190 288 H TYR 37 H TYR 37 9.718 1.282 7.745 289 HA TYR 37 HA TYR 37 8.995 3.833 6.572 290 1HB TYR 37 2HB TYR 37 11.112 3.105 6.017 291 2HB TYR 37 1HB TYR 37 10.650 1.409 5.986 292 HD1 TYR 37 1HD TYR 37 9.249 0.546 4.123 293 HD2 TYR 37 2HD TYR 37 11.007 4.456 4.045 294 HE1 TYR 37 1HE TYR 37 8.753 0.697 1.725 295 HE2 TYR 37 2HE TYR 37 10.547 4.612 1.613 296 HH TYR 37 HH TYR 37 10.147 3.068 -0.288 297 H CYS 38 H CYS 38 8.473 0.392 5.889 298 HA CYS 38 HA CYS 38 6.682 0.530 3.759 299 1HB CYS 38 2HB CYS 38 7.832 -1.430 4.906 300 2HB CYS 38 1HB CYS 38 6.570 -1.348 6.113 301 HG CYS 38 HG CYS 38 6.138 -2.970 3.870 302 H GLU 39 H GLU 39 5.887 0.499 7.257 303 HA GLU 39 HA GLU 39 3.058 1.008 6.793 304 1HB GLU 39 2HB GLU 39 3.148 1.365 9.288 305 2HB GLU 39 1HB GLU 39 3.925 -0.144 8.796 306 1HG GLU 39 2HG GLU 39 5.801 0.563 9.821 307 2HG GLU 39 1HG GLU 39 5.917 1.826 8.591 308 H LYS 40 H LYS 40 5.909 2.885 6.605 309 HA LYS 40 HA LYS 40 4.598 5.404 7.396 310 1HB LYS 40 2HB LYS 40 7.003 5.189 7.825 311 2HB LYS 40 1HB LYS 40 7.288 4.705 6.149 312 1HG LYS 40 2HG LYS 40 6.583 6.874 5.341 313 2HG LYS 40 1HG LYS 40 6.151 7.381 6.971 314 1HD LYS 40 2HD LYS 40 8.742 6.563 7.324 315 2HD LYS 40 1HD LYS 40 8.797 7.225 5.690 316 1HE LYS 40 2HE LYS 40 7.851 9.343 6.471 317 2HE LYS 40 1HE LYS 40 7.664 8.680 8.106 318 1HZ LYS 40 1HZ LYS 40 9.902 8.649 8.462 319 2HZ LYS 40 2HZ LYS 40 9.823 9.990 7.422 320 3HZ LYS 40 3HZ LYS 40 10.286 8.470 6.820 321 H LYS 41 H LYS 41 5.554 3.450 4.734 322 HA LYS 41 HA LYS 41 5.049 5.195 2.543 323 1HB LYS 41 2HB LYS 41 4.813 2.206 2.838 324 2HB LYS 41 1HB LYS 41 5.063 3.071 1.346 325 1HG LYS 41 2HG LYS 41 6.948 2.299 3.429 326 2HG LYS 41 1HG LYS 41 7.210 2.527 1.710 327 1HD LYS 41 2HD LYS 41 6.751 4.907 3.481 328 2HD LYS 41 1HD LYS 41 8.303 4.171 3.349 329 1HE LYS 41 2HE LYS 41 8.441 4.586 1.012 330 2HE LYS 41 1HE LYS 41 6.716 4.962 0.931 331 1HZ LYS 41 1HZ LYS 41 7.392 6.686 2.766 332 2HZ LYS 41 2HZ LYS 41 7.566 7.064 1.120 333 3HZ LYS 41 3HZ LYS 41 8.914 6.567 2.027 334 H GLY 42 H GLY 42 3.376 2.426 3.855 335 1HA GLY 42 2HA GLY 42 0.974 2.953 4.508 336 2HA GLY 42 1HA GLY 42 0.790 3.437 2.841 337 H TRP 43 H TRP 43 2.166 0.678 4.597 338 HA TRP 43 HA TRP 43 0.440 -1.124 2.957 339 1HB TRP 43 2HB TRP 43 2.923 -2.145 4.222 340 2HB TRP 43 1HB TRP 43 2.087 -2.753 2.853 341 HD1 TRP 43 HD TRP 43 3.149 0.865 3.027 342 HE1 TRP 43 1HE TRP 43 4.918 1.266 1.377 343 HE3 TRP 43 3HE TRP 43 4.073 -3.888 1.374 344 HZ2 TRP 43 2HZ TRP 43 6.657 -0.007 -0.341 345 HZ3 TRP 43 3HZ TRP 43 5.851 -4.242 -0.281 346 HH2 TRP 43 HH TRP 43 7.151 -2.320 -1.179 347 H ILE 44 H ILE 44 2.459 -0.616 5.583 348 HA ILE 44 HA ILE 44 2.089 -0.657 7.828 349 HB ILE 44 HB ILE 44 -0.452 -2.152 7.331 350 1HG1 ILE 44 2HG1 ILE 44 -0.580 0.790 7.563 351 2HG1 ILE 44 1HG1 ILE 44 0.072 0.204 6.059 352 1HG2 ILE 44 1HG2 ILE 44 -0.921 -0.392 9.347 353 2HG2 ILE 44 2HG2 ILE 44 0.831 -0.561 9.517 354 3HG2 ILE 44 3HG2 ILE 44 -0.213 -1.983 9.635 355 1HD1 ILE 44 1HD1 ILE 44 -2.298 -1.266 6.994 356 2HD1 ILE 44 2HD1 ILE 44 -1.910 -0.671 5.379 357 3HD1 ILE 44 3HD1 ILE 44 -2.604 0.421 6.581 358 H VAL 45 H VAL 45 2.839 -2.903 5.918 359 HA VAL 45 HA VAL 45 2.491 -5.473 6.491 360 HB VAL 45 HB VAL 45 5.012 -5.666 6.389 361 1HG1 VAL 45 1HG1 VAL 45 3.585 -3.878 4.423 362 2HG1 VAL 45 2HG1 VAL 45 3.696 -5.637 4.355 363 3HG1 VAL 45 3HG1 VAL 45 5.138 -4.651 4.115 364 1HG2 VAL 45 1HG2 VAL 45 6.266 -3.580 6.028 365 2HG2 VAL 45 2HG2 VAL 45 5.525 -3.600 7.626 366 3HG2 VAL 45 3HG2 VAL 45 4.796 -2.655 6.330 367 H ASN 46 H ASN 46 1.749 -6.181 8.499 368 HA ASN 46 HA ASN 46 3.688 -6.496 10.653 369 1HB ASN 46 2HB ASN 46 3.160 -4.197 11.073 370 2HB ASN 46 1HB ASN 46 1.440 -4.473 10.799 371 1HD2 ASN 46 1HD2 ASN 46 0.909 -3.685 12.968 372 2HD2 ASN 46 2HD2 ASN 46 1.239 -4.621 14.342 373 H ILE 47 H ILE 47 3.084 -8.335 11.792 374 HA ILE 47 HA ILE 47 0.283 -9.325 11.388 375 HB ILE 47 HB ILE 47 2.304 -10.587 10.475 376 1HG1 ILE 47 2HG1 ILE 47 0.864 -12.220 12.561 377 2HG1 ILE 47 1HG1 ILE 47 -0.019 -11.547 11.190 378 1HG2 ILE 47 1HG2 ILE 47 3.634 -10.051 12.623 379 2HG2 ILE 47 2HG2 ILE 47 3.780 -11.683 11.970 380 3HG2 ILE 47 3HG2 ILE 47 2.735 -11.377 13.357 381 1HD1 ILE 47 1HD1 ILE 47 1.039 -13.946 10.997 382 2HD1 ILE 47 2HD1 ILE 47 2.534 -13.055 10.707 383 3HD1 ILE 47 3HD1 ILE 47 1.153 -12.832 9.633 384 H THR 48 H THR 48 0.905 -7.428 13.479 385 HA THR 48 HA THR 48 0.594 -9.165 15.909 386 HB THR 48 HB THR 48 1.650 -6.338 15.895 387 HG1 THR 48 1HG THR 48 3.746 -7.598 15.906 388 1HG2 THR 48 1HG2 THR 48 1.220 -8.394 17.838 389 2HG2 THR 48 2HG2 THR 48 1.869 -6.774 18.088 390 3HG2 THR 48 3HG2 THR 48 2.955 -8.111 17.706 391 H SER 49 H SER 49 -1.753 -9.097 15.581 392 HA SER 49 HA SER 49 -3.391 -6.880 15.158 393 1HB SER 49 2HB SER 49 -3.685 -9.326 16.918 394 2HB SER 49 1HB SER 49 -5.020 -8.224 16.595 395 HG SER 49 HG SER 49 -3.511 -9.750 14.740 396 H GLN 50 H GLN 50 -3.512 -4.965 16.250 397 HA GLN 50 HA GLN 50 -3.634 -3.453 18.068 398 1HB GLN 50 2HB GLN 50 -4.884 -5.671 18.872 399 2HB GLN 50 1HB GLN 50 -3.512 -5.753 19.977 400 1HG GLN 50 2HG GLN 50 -4.079 -3.762 21.048 401 2HG GLN 50 1HG GLN 50 -4.988 -3.159 19.661 402 1HE2 GLN 50 1HE2 GLN 50 -7.111 -4.314 19.200 403 2HE2 GLN 50 2HE2 GLN 50 -7.966 -4.981 20.505 404 H VAL 51 H VAL 51 -1.591 -2.488 18.009 405 HA VAL 51 HA VAL 51 0.553 -3.810 19.644 406 HB VAL 51 HB VAL 51 0.701 -2.257 17.043 407 1HG1 VAL 51 1HG1 VAL 51 2.866 -1.780 17.462 408 2HG1 VAL 51 2HG1 VAL 51 3.192 -3.445 17.947 409 3HG1 VAL 51 3HG1 VAL 51 2.589 -2.284 19.130 410 1HG2 VAL 51 1HG2 VAL 51 2.101 -4.646 16.826 411 2HG2 VAL 51 2HG2 VAL 51 0.468 -4.359 16.223 412 3HG2 VAL 51 3HG2 VAL 51 0.707 -5.086 17.811 413 H GLN 52 H GLN 52 1.245 -2.531 21.315 414 HA GLN 52 HA GLN 52 0.260 0.241 21.525 415 1HB GLN 52 2HB GLN 52 1.121 0.027 23.808 416 2HB GLN 52 1HB GLN 52 0.204 -1.423 23.386 417 1HG GLN 52 2HG GLN 52 2.154 -2.705 23.060 418 2HG GLN 52 1HG GLN 52 3.177 -1.277 22.934 419 1HE2 GLN 52 1HE2 GLN 52 1.667 -3.503 25.186 420 2HE2 GLN 52 2HE2 GLN 52 2.338 -2.835 26.595 421 H THR 53 H THR 53 2.180 -0.124 19.414 422 HA THR 53 HA THR 53 4.873 0.308 19.911 423 HB THR 53 HB THR 53 4.039 2.192 17.934 424 HG1 THR 53 1HG THR 53 2.775 0.291 16.849 425 1HG2 THR 53 1HG2 THR 53 5.317 -0.488 18.082 426 2HG2 THR 53 2HG2 THR 53 5.888 0.991 17.309 427 3HG2 THR 53 3HG2 THR 53 4.670 -0.005 16.514 428 H GLU 54 H GLU 54 5.488 1.554 21.688 429 HA GLU 54 HA GLU 54 5.130 4.474 21.465 430 1HB GLU 54 2HB GLU 54 3.085 3.546 22.600 431 2HB GLU 54 1HB GLU 54 4.131 2.915 23.872 432 1HG GLU 54 2HG GLU 54 3.074 5.162 24.383 433 2HG GLU 54 1HG GLU 54 4.834 5.126 24.503 434 H ARG 55 H ARG 55 7.265 5.050 21.724 435 HA ARG 55 HA ARG 55 8.828 3.696 23.899 436 1HB ARG 55 2HB ARG 55 9.905 5.118 21.454 437 2HB ARG 55 1HB ARG 55 10.736 3.950 22.483 438 1HG ARG 55 2HG ARG 55 8.562 2.494 21.691 439 2HG ARG 55 1HG ARG 55 8.844 3.489 20.263 440 1HD ARG 55 2HD ARG 55 11.168 2.101 21.589 441 2HD ARG 55 1HD ARG 55 10.128 1.217 20.454 442 HE ARG 55 HE ARG 55 11.601 3.729 19.763 443 1HH1 ARG 55 1HH1 ARG 55 11.133 0.485 19.050 444 2HH1 ARG 55 2HH1 ARG 55 11.003 0.697 17.337 445 1HH2 ARG 55 1HH2 ARG 55 10.929 4.159 17.504 446 2HH2 ARG 55 2HH2 ARG 55 10.888 2.778 16.460 447 H ASN 56 H ASN 56 7.378 6.614 22.974 448 HA ASN 56 HA ASN 56 9.200 8.160 24.793 449 1HB ASN 56 2HB ASN 56 8.492 8.508 22.043 450 2HB ASN 56 1HB ASN 56 7.799 9.846 22.956 451 1HD2 ASN 56 1HD2 ASN 56 10.143 9.938 21.099 452 2HD2 ASN 56 2HD2 ASN 56 11.446 10.498 22.030 453 H ILE 57 H ILE 57 8.159 9.500 26.308 454 HA ILE 57 HA ILE 57 6.389 10.288 27.660 455 HB ILE 57 HB ILE 57 4.796 9.908 25.109 456 1HG1 ILE 57 2HG1 ILE 57 6.790 11.089 24.475 457 2HG1 ILE 57 1HG1 ILE 57 5.532 12.310 24.671 458 1HG2 ILE 57 1HG2 ILE 57 4.417 12.289 26.803 459 2HG2 ILE 57 2HG2 ILE 57 3.998 10.770 27.596 460 3HG2 ILE 57 3HG2 ILE 57 3.215 11.220 26.080 461 1HD1 ILE 57 1HD1 ILE 57 7.383 13.208 25.836 462 2HD1 ILE 57 2HD1 ILE 57 7.807 11.648 26.540 463 3HD1 ILE 57 3HD1 ILE 57 6.378 12.513 27.106 464 H ASN 58 H ASN 58 6.307 8.356 28.980 465 HA ASN 58 HA ASN 58 4.012 6.542 28.313 466 1HB ASN 58 2HB ASN 58 6.762 5.948 29.445 467 2HB ASN 58 1HB ASN 58 5.442 4.777 29.457 468 1HD2 ASN 58 1HD2 ASN 58 8.030 5.958 27.575 469 2HD2 ASN 58 2HD2 ASN 58 7.571 5.281 26.088 470 H ARG 59 H ARG 59 6.204 7.180 31.080 471 HA ARG 59 HA ARG 59 3.871 7.963 32.740 472 1HB ARG 59 2HB ARG 59 5.020 5.345 32.651 473 2HB ARG 59 1HB ARG 59 5.426 6.060 34.212 474 1HG ARG 59 2HG ARG 59 3.276 5.998 34.929 475 2HG ARG 59 1HG ARG 59 2.650 6.555 33.377 476 1HD ARG 59 2HD ARG 59 1.876 4.416 33.156 477 2HD ARG 59 1HD ARG 59 3.562 4.007 32.773 478 HE ARG 59 HE ARG 59 3.626 3.985 35.490 479 1HH1 ARG 59 1HH2 ARG 59 3.196 1.562 33.522 480 2HH1 ARG 59 2HH2 ARG 59 1.948 0.722 34.381 481 1HH2 ARG 59 1HH1 ARG 59 1.232 3.385 36.481 482 2HH2 ARG 59 2HH1 ARG 59 0.836 1.753 36.056 483 H ALA 60 H ALA 60 4.611 8.840 34.866 484 HA ALA 60 HA ALA 60 7.246 10.191 34.582 485 1HB ALA 60 1HB ALA 60 4.850 11.180 35.146 486 2HB ALA 60 2HB ALA 60 6.288 11.836 35.926 487 3HB ALA 60 3HB ALA 60 5.269 10.682 36.786 488 1H MET 1 1HT MET 1 0.142 -11.028 -35.310 489 2H MET 1 2HT MET 1 1.383 -10.258 -34.441 490 3H MET 1 3HT MET 1 -0.221 -10.184 -33.885 491 HA MET 1 HA MET 1 -0.199 -12.303 -33.049 492 1HB MET 1 2HB MET 1 1.479 -12.620 -35.478 493 2HB MET 1 1HB MET 1 1.794 -13.769 -34.179 494 1HG MET 1 2HG MET 1 -0.255 -14.772 -34.385 495 2HG MET 1 1HG MET 1 -1.064 -13.263 -34.812 496 1HE MET 1 1HE MET 1 -1.507 -12.388 -36.574 497 2HE MET 1 2HE MET 1 -1.698 -13.195 -38.127 498 3HE MET 1 3HE MET 1 -0.274 -12.200 -37.829 499 H GLY 2 H GLY 2 3.205 -12.413 -33.904 500 1HA GLY 2 2HA GLY 2 4.527 -10.884 -32.071 501 2HA GLY 2 1HA GLY 2 3.931 -12.208 -31.069 502 HA PRO 3 HA PRO 3 7.917 -13.699 -32.693 503 1HB PRO 3 2HB PRO 3 8.588 -15.063 -30.430 504 2HB PRO 3 1HB PRO 3 8.863 -13.316 -30.600 505 1HG PRO 3 2HG PRO 3 6.684 -14.765 -29.178 506 2HG PRO 3 1HG PRO 3 7.563 -13.299 -28.703 507 1HD PRO 3 2HD PRO 3 5.057 -13.272 -29.788 508 2HD PRO 3 1HD PRO 3 6.210 -11.930 -29.944 509 H LEU 4 H LEU 4 5.543 -15.451 -30.709 510 HA LEU 4 HA LEU 4 5.436 -17.658 -32.678 511 1HB LEU 4 2HB LEU 4 7.262 -17.676 -30.597 512 2HB LEU 4 1HB LEU 4 5.907 -18.574 -29.925 513 HG LEU 4 HG LEU 4 6.164 -19.527 -32.555 514 1HD1 LEU 4 1HD1 LEU 4 8.593 -20.332 -32.430 515 2HD1 LEU 4 2HD1 LEU 4 8.836 -19.078 -31.213 516 3HD1 LEU 4 3HD1 LEU 4 8.354 -18.636 -32.851 517 1HD2 LEU 4 1HD2 LEU 4 5.732 -20.605 -30.165 518 2HD2 LEU 4 2HD2 LEU 4 7.459 -20.949 -30.257 519 3HD2 LEU 4 3HD2 LEU 4 6.369 -21.581 -31.489 520 H GLN 5 H GLN 5 4.105 -19.507 -31.081 521 HA GLN 5 HA GLN 5 1.428 -18.646 -31.002 522 1HB GLN 5 2HB GLN 5 2.357 -20.985 -30.863 523 2HB GLN 5 1HB GLN 5 2.793 -20.663 -29.185 524 1HG GLN 5 2HG GLN 5 0.400 -20.166 -28.694 525 2HG GLN 5 1HG GLN 5 -0.003 -20.597 -30.356 526 1HE2 GLN 5 1HE2 GLN 5 1.720 -22.013 -27.508 527 2HE2 GLN 5 2HE2 GLN 5 1.202 -23.601 -27.808 528 H TYR 6 H TYR 6 4.033 -18.032 -28.787 529 HA TYR 6 HA TYR 6 4.109 -16.938 -26.693 530 1HB TYR 6 2HB TYR 6 3.324 -15.290 -28.525 531 2HB TYR 6 1HB TYR 6 1.717 -15.472 -27.823 532 HD1 TYR 6 1HD TYR 6 1.461 -15.052 -25.289 533 HD2 TYR 6 2HD TYR 6 4.883 -13.806 -27.567 534 HE1 TYR 6 1HE TYR 6 2.045 -13.420 -23.516 535 HE2 TYR 6 2HE TYR 6 5.468 -12.173 -25.793 536 HH TYR 6 HH TYR 6 4.136 -12.248 -22.715 537 H LYS 7 H LYS 7 3.271 -18.913 -25.535 538 HA LYS 7 HA LYS 7 0.754 -18.279 -24.124 539 1HB LYS 7 2HB LYS 7 0.135 -19.502 -26.212 540 2HB LYS 7 1HB LYS 7 1.141 -20.851 -25.685 541 1HG LYS 7 2HG LYS 7 -0.564 -21.636 -24.450 542 2HG LYS 7 1HG LYS 7 -0.562 -20.145 -23.510 543 1HD LYS 7 2HD LYS 7 -2.119 -19.096 -24.984 544 2HD LYS 7 1HD LYS 7 -1.928 -20.362 -26.197 545 1HE LYS 7 2HE LYS 7 -3.925 -21.034 -25.177 546 2HE LYS 7 1HE LYS 7 -2.745 -21.924 -24.191 547 1HZ LYS 7 1HZ LYS 7 -2.646 -19.652 -22.925 548 2HZ LYS 7 2HZ LYS 7 -3.854 -20.789 -22.562 549 3HZ LYS 7 3HZ LYS 7 -4.208 -19.459 -23.558 550 H ASP 8 H ASP 8 3.350 -18.337 -23.068 551 HA ASP 8 HA ASP 8 3.581 -20.976 -21.688 552 1HB ASP 8 2HB ASP 8 5.840 -20.174 -21.159 553 2HB ASP 8 1HB ASP 8 5.531 -19.974 -22.885 554 H LEU 9 H LEU 9 4.910 -20.048 -19.382 555 HA LEU 9 HA LEU 9 2.939 -18.224 -18.068 556 1HB LEU 9 2HB LEU 9 3.807 -21.015 -17.283 557 2HB LEU 9 1HB LEU 9 3.044 -19.911 -16.137 558 HG LEU 9 HG LEU 9 1.779 -20.469 -18.814 559 1HD1 LEU 9 1HD1 LEU 9 0.349 -22.130 -17.440 560 2HD1 LEU 9 2HD1 LEU 9 1.695 -22.136 -16.300 561 3HD1 LEU 9 3HD1 LEU 9 1.945 -22.668 -17.963 562 1HD2 LEU 9 1HD2 LEU 9 1.163 -18.954 -16.418 563 2HD2 LEU 9 2HD2 LEU 9 -0.098 -20.147 -16.735 564 3HD2 LEU 9 3HD2 LEU 9 0.326 -18.962 -17.971 565 H LYS 10 H LYS 10 3.823 -17.686 -15.764 566 HA LYS 10 HA LYS 10 6.756 -17.815 -15.497 567 1HB LYS 10 2HB LYS 10 6.940 -15.329 -15.540 568 2HB LYS 10 1HB LYS 10 6.384 -15.977 -17.084 569 1HG LYS 10 2HG LYS 10 3.996 -15.607 -16.137 570 2HG LYS 10 1HG LYS 10 4.789 -14.561 -14.959 571 1HD LYS 10 2HD LYS 10 5.731 -14.042 -17.667 572 2HD LYS 10 1HD LYS 10 3.986 -13.824 -17.527 573 1HE LYS 10 2HE LYS 10 4.862 -12.607 -15.225 574 2HE LYS 10 1HE LYS 10 6.166 -12.211 -16.364 575 1HZ LYS 10 1HZ LYS 10 4.525 -11.493 -17.969 576 2HZ LYS 10 2HZ LYS 10 4.323 -10.625 -16.523 577 3HZ LYS 10 3HZ LYS 10 3.261 -11.893 -16.910 578 H ILE 11 H ILE 11 5.733 -18.965 -13.559 579 HA ILE 11 HA ILE 11 5.119 -16.959 -11.417 580 HB ILE 11 HB ILE 11 3.601 -18.864 -10.549 581 1HG1 ILE 11 2HG1 ILE 11 3.444 -19.744 -13.400 582 2HG1 ILE 11 1HG1 ILE 11 4.773 -20.377 -12.426 583 1HG2 ILE 11 1HG2 ILE 11 1.937 -18.280 -12.542 584 2HG2 ILE 11 2HG2 ILE 11 3.170 -17.057 -12.852 585 3HG2 ILE 11 3HG2 ILE 11 2.361 -17.119 -11.287 586 1HD1 ILE 11 1HD1 ILE 11 3.155 -21.954 -11.936 587 2HD1 ILE 11 2HD1 ILE 11 1.829 -20.806 -12.127 588 3HD1 ILE 11 3HD1 ILE 11 2.815 -20.779 -10.664 589 H ASP 12 H ASP 12 4.850 -19.838 -9.970 590 HA ASP 12 HA ASP 12 6.207 -20.964 -8.468 591 1HB ASP 12 2HB ASP 12 8.063 -20.713 -10.856 592 2HB ASP 12 1HB ASP 12 8.198 -21.922 -9.579 593 H ILE 13 H ILE 13 8.846 -20.904 -7.825 594 HA ILE 13 HA ILE 13 9.223 -18.121 -6.853 595 HB ILE 13 HB ILE 13 10.431 -20.824 -6.189 596 1HG1 ILE 13 2HG1 ILE 13 9.271 -19.953 -3.923 597 2HG1 ILE 13 1HG1 ILE 13 8.266 -19.091 -5.087 598 1HG2 ILE 13 1HG2 ILE 13 11.678 -19.754 -4.430 599 2HG2 ILE 13 2HG2 ILE 13 10.895 -18.204 -4.739 600 3HG2 ILE 13 3HG2 ILE 13 12.030 -18.870 -5.915 601 1HD1 ILE 13 1HD1 ILE 13 8.275 -21.921 -4.416 602 2HD1 ILE 13 2HD1 ILE 13 8.505 -21.673 -6.146 603 3HD1 ILE 13 3HD1 ILE 13 7.090 -20.998 -5.339 604 H LYS 14 H LYS 14 10.280 -16.934 -8.456 605 HA LYS 14 HA LYS 14 12.808 -18.115 -9.570 606 1HB LYS 14 2HB LYS 14 10.420 -17.021 -10.780 607 2HB LYS 14 1HB LYS 14 11.829 -16.072 -11.257 608 1HG LYS 14 2HG LYS 14 12.329 -17.686 -12.744 609 2HG LYS 14 1HG LYS 14 12.656 -18.761 -11.382 610 1HD LYS 14 2HD LYS 14 10.693 -19.881 -11.633 611 2HD LYS 14 1HD LYS 14 9.794 -18.410 -12.006 612 1HE LYS 14 2HE LYS 14 9.741 -19.533 -14.070 613 2HE LYS 14 1HE LYS 14 11.176 -18.507 -14.267 614 1HZ LYS 14 1HZ LYS 14 12.530 -20.319 -13.381 615 2HZ LYS 14 2HZ LYS 14 11.717 -20.796 -14.793 616 3HZ LYS 14 3HZ LYS 14 11.157 -21.308 -13.272 617 H THR 15 H THR 15 14.102 -16.065 -10.577 618 HA THR 15 HA THR 15 14.681 -14.304 -8.286 619 HB THR 15 HB THR 15 16.500 -13.578 -9.940 620 HG1 THR 15 1HG THR 15 16.201 -15.876 -11.354 621 1HG2 THR 15 1HG2 THR 15 17.031 -15.113 -8.177 622 2HG2 THR 15 2HG2 THR 15 17.697 -15.795 -9.663 623 3HG2 THR 15 3HG2 THR 15 16.194 -16.434 -8.996 624 H SER 16 H SER 16 13.234 -12.567 -8.121 625 HA SER 16 HA SER 16 11.842 -11.407 -10.322 626 1HB SER 16 2HB SER 16 12.516 -10.334 -7.569 627 2HB SER 16 1HB SER 16 11.275 -9.687 -8.624 628 HG SER 16 HG SER 16 11.436 -12.335 -7.626 629 HA PRO 17 HA PRO 17 12.650 -8.695 -8.050 630 1HB PRO 17 2HB PRO 17 14.043 -6.404 -7.851 631 2HB PRO 17 1HB PRO 17 14.727 -7.945 -7.338 632 1HG PRO 17 2HG PRO 17 15.548 -6.264 -9.492 633 2HG PRO 17 1HG PRO 17 16.248 -7.804 -8.980 634 1HD PRO 17 2HD PRO 17 14.246 -7.270 -11.090 635 2HD PRO 17 1HD PRO 17 15.470 -8.524 -10.973 636 HA PRO 18 HA PRO 18 11.408 -5.502 -11.415 637 1HB PRO 18 2HB PRO 18 9.226 -6.705 -12.582 638 2HB PRO 18 1HB PRO 18 10.904 -6.812 -13.180 639 1HG PRO 18 2HG PRO 18 9.385 -8.778 -11.540 640 2HG PRO 18 1HG PRO 18 10.443 -9.040 -12.930 641 1HD PRO 18 2HD PRO 18 11.307 -9.426 -10.416 642 2HD PRO 18 1HD PRO 18 12.375 -8.818 -11.696 643 HA PRO 19 HA PRO 19 7.444 -5.326 -8.788 644 1HB PRO 19 2HB PRO 19 7.324 -6.991 -6.618 645 2HB PRO 19 1HB PRO 19 6.612 -7.427 -8.186 646 1HG PRO 19 2HG PRO 19 9.176 -8.300 -6.964 647 2HG PRO 19 1HG PRO 19 8.021 -9.215 -7.946 648 1HD PRO 19 2HD PRO 19 10.359 -8.196 -8.905 649 2HD PRO 19 1HD PRO 19 8.936 -8.508 -9.905 650 H GLU 20 H GLU 20 9.280 -3.693 -8.566 651 HA GLU 20 HA GLU 20 11.296 -3.658 -6.621 652 1HB GLU 20 2HB GLU 20 10.888 -1.100 -6.831 653 2HB GLU 20 1HB GLU 20 11.318 -2.007 -8.278 654 1HG GLU 20 2HG GLU 20 9.332 -1.539 -9.255 655 2HG GLU 20 1HG GLU 20 8.436 -2.003 -7.807 656 H CYS 21 H CYS 21 9.387 -4.770 -4.964 657 HA CYS 21 HA CYS 21 8.188 -2.608 -3.367 658 1HB CYS 21 2HB CYS 21 7.987 -4.907 -1.809 659 2HB CYS 21 1HB CYS 21 6.755 -4.282 -2.886 660 HG CYS 21 HG CYS 21 7.082 -6.650 -3.754 661 H ILE 22 H ILE 22 11.054 -4.633 -3.291 662 HA ILE 22 HA ILE 22 11.848 -3.813 -0.585 663 HB ILE 22 HB ILE 22 13.435 -5.009 -2.877 664 1HG1 ILE 22 2HG1 ILE 22 12.325 -6.899 -2.522 665 2HG1 ILE 22 1HG1 ILE 22 13.018 -6.969 -0.915 666 1HG2 ILE 22 1HG2 ILE 22 14.584 -5.894 -0.585 667 2HG2 ILE 22 2HG2 ILE 22 14.045 -4.293 -0.085 668 3HG2 ILE 22 3HG2 ILE 22 15.123 -4.469 -1.471 669 1HD1 ILE 22 1HD1 ILE 22 10.714 -7.118 -0.479 670 2HD1 ILE 22 2HD1 ILE 22 10.300 -5.971 -1.753 671 3HD1 ILE 22 3HD1 ILE 22 11.030 -5.401 -0.254 672 H ASN 23 H ASN 23 13.200 -3.223 -3.834 673 HA ASN 23 HA ASN 23 15.000 -1.185 -2.953 674 1HB ASN 23 2HB ASN 23 15.204 -0.663 -5.309 675 2HB ASN 23 1HB ASN 23 15.051 -2.411 -5.142 676 1HD2 ASN 23 1HD2 ASN 23 14.187 -0.293 -7.307 677 2HD2 ASN 23 2HD2 ASN 23 12.590 -0.747 -7.652 678 H ASP 24 H ASP 24 11.706 -0.874 -4.384 679 HA ASP 24 HA ASP 24 11.559 1.977 -4.192 680 1HB ASP 24 2HB ASP 24 9.997 0.304 -5.360 681 2HB ASP 24 1HB ASP 24 9.308 -0.009 -3.767 682 H LEU 25 H LEU 25 11.512 -0.585 -1.901 683 HA LEU 25 HA LEU 25 10.265 0.946 0.240 684 1HB LEU 25 2HB LEU 25 9.869 -1.298 0.507 685 2HB LEU 25 1HB LEU 25 11.368 -1.771 -0.233 686 HG LEU 25 HG LEU 25 12.219 -0.478 2.080 687 1HD1 LEU 25 1HD1 LEU 25 10.422 -2.272 3.377 688 2HD1 LEU 25 2HD1 LEU 25 9.518 -1.047 2.488 689 3HD1 LEU 25 3HD1 LEU 25 10.719 -0.561 3.688 690 1HD2 LEU 25 1HD2 LEU 25 13.366 -2.389 1.707 691 2HD2 LEU 25 2HD2 LEU 25 11.936 -3.267 1.157 692 3HD2 LEU 25 3HD2 LEU 25 12.223 -3.041 2.881 693 H LEU 26 H LEU 26 13.293 -0.693 -0.217 694 HA LEU 26 HA LEU 26 14.600 0.644 1.896 695 1HB LEU 26 2HB LEU 26 15.191 -1.565 1.373 696 2HB LEU 26 1HB LEU 26 15.281 -1.215 -0.341 697 HG LEU 26 HG LEU 26 17.198 0.260 0.088 698 1HD1 LEU 26 1HD1 LEU 26 18.030 -0.714 2.565 699 2HD1 LEU 26 2HD1 LEU 26 16.338 -0.303 2.798 700 3HD1 LEU 26 3HD1 LEU 26 17.476 0.920 2.227 701 1HD2 LEU 26 1HD2 LEU 26 17.084 -2.549 0.022 702 2HD2 LEU 26 2HD2 LEU 26 18.229 -2.169 1.303 703 3HD2 LEU 26 3HD2 LEU 26 18.496 -1.552 -0.325 704 H GLN 27 H GLN 27 13.761 1.738 -1.118 705 HA GLN 27 HA GLN 27 16.109 3.159 -1.966 706 1HB GLN 27 2HB GLN 27 13.184 3.043 -2.460 707 2HB GLN 27 1HB GLN 27 14.000 4.529 -2.914 708 1HG GLN 27 2HG GLN 27 15.535 2.191 -3.700 709 2HG GLN 27 1HG GLN 27 13.919 2.166 -4.399 710 1HE2 GLN 27 1HE2 GLN 27 13.724 5.140 -4.491 711 2HE2 GLN 27 2HE2 GLN 27 14.738 5.639 -5.753 712 H ALA 28 H ALA 28 13.995 3.398 0.707 713 HA ALA 28 HA ALA 28 14.711 6.254 1.100 714 1HB ALA 28 1HB ALA 28 12.521 6.672 1.539 715 2HB ALA 28 2HB ALA 28 12.316 5.163 2.432 716 3HB ALA 28 3HB ALA 28 12.255 5.162 0.667 717 H VAL 29 H VAL 29 14.857 3.008 2.626 718 HA VAL 29 HA VAL 29 15.371 4.450 5.202 719 HB VAL 29 HB VAL 29 13.752 2.874 5.676 720 1HG1 VAL 29 1HG1 VAL 29 13.610 0.659 4.594 721 2HG1 VAL 29 2HG1 VAL 29 15.040 1.043 3.645 722 3HG1 VAL 29 3HG1 VAL 29 13.554 1.973 3.426 723 1HG2 VAL 29 1HG2 VAL 29 15.826 2.355 7.005 724 2HG2 VAL 29 2HG2 VAL 29 16.197 1.094 5.829 725 3HG2 VAL 29 3HG2 VAL 29 14.735 0.983 6.808 726 H ASP 30 H ASP 30 17.191 3.696 2.711 727 HA ASP 30 HA ASP 30 19.490 3.094 2.516 728 1HB ASP 30 2HB ASP 30 18.948 4.520 5.076 729 2HB ASP 30 1HB ASP 30 20.551 3.854 4.859 730 H SER 31 H SER 31 19.307 0.707 2.506 731 HA SER 31 HA SER 31 20.340 -0.447 4.993 732 1HB SER 31 2HB SER 31 17.724 0.232 4.832 733 2HB SER 31 1HB SER 31 17.621 -1.396 4.227 734 HG SER 31 HG SER 31 18.558 -0.405 6.695 735 H GLN 32 H GLN 32 21.747 -0.795 2.907 736 HA GLN 32 HA GLN 32 21.181 -2.491 0.781 737 1HB GLN 32 2HB GLN 32 23.363 -1.280 1.863 738 2HB GLN 32 1HB GLN 32 23.723 -2.964 2.232 739 1HG GLN 32 2HG GLN 32 22.736 -2.866 -0.438 740 2HG GLN 32 1HG GLN 32 23.966 -1.613 -0.279 741 1HE2 GLN 32 1HE2 GLN 32 23.453 -4.995 -0.603 742 2HE2 GLN 32 2HE2 GLN 32 25.055 -5.481 -0.361 743 H GLU 33 H GLU 33 21.346 -3.341 4.170 744 HA GLU 33 HA GLU 33 21.853 -6.163 3.845 745 1HB GLU 33 2HB GLU 33 20.246 -4.679 5.952 746 2HB GLU 33 1HB GLU 33 20.987 -6.268 6.131 747 1HG GLU 33 2HG GLU 33 23.161 -4.855 5.380 748 2HG GLU 33 1HG GLU 33 22.251 -3.579 6.188 749 H VAL 34 H VAL 34 19.061 -4.097 3.543 750 HA VAL 34 HA VAL 34 17.110 -6.265 3.492 751 HB VAL 34 HB VAL 34 17.256 -3.308 3.324 752 1HG1 VAL 34 1HG1 VAL 34 16.141 -3.610 1.221 753 2HG1 VAL 34 2HG1 VAL 34 14.901 -3.193 2.403 754 3HG1 VAL 34 3HG1 VAL 34 15.099 -4.867 1.885 755 1HG2 VAL 34 1HG2 VAL 34 15.701 -3.440 5.022 756 2HG2 VAL 34 2HG2 VAL 34 16.450 -5.022 5.194 757 3HG2 VAL 34 3HG2 VAL 34 14.913 -4.865 4.340 758 H ARG 35 H ARG 35 18.833 -4.269 1.100 759 HA ARG 35 HA ARG 35 17.536 -5.589 -1.186 760 1HB ARG 35 2HB ARG 35 19.284 -3.384 -0.574 761 2HB ARG 35 1HB ARG 35 19.941 -4.330 -1.909 762 1HG ARG 35 2HG ARG 35 17.333 -4.223 -2.635 763 2HG ARG 35 1HG ARG 35 17.481 -2.682 -1.788 764 1HD ARG 35 2HD ARG 35 19.190 -1.916 -3.236 765 2HD ARG 35 1HD ARG 35 19.512 -3.554 -3.839 766 HE ARG 35 HE ARG 35 16.834 -3.132 -4.437 767 1HH1 ARG 35 1HH2 ARG 35 19.561 -1.077 -4.827 768 2HH1 ARG 35 2HH2 ARG 35 19.146 -0.603 -6.440 769 1HH2 ARG 35 1HH1 ARG 35 16.395 -2.702 -6.640 770 2HH2 ARG 35 2HH1 ARG 35 17.357 -1.521 -7.465 771 H ASP 36 H ASP 36 20.701 -5.632 0.465 772 HA ASP 36 HA ASP 36 21.998 -7.613 -1.106 773 1HB ASP 36 2HB ASP 36 22.887 -6.155 0.826 774 2HB ASP 36 1HB ASP 36 22.120 -7.304 1.914 775 H TYR 37 H TYR 37 19.470 -7.632 1.205 776 HA TYR 37 HA TYR 37 19.354 -10.481 1.703 777 1HB TYR 37 2HB TYR 37 18.586 -9.177 3.444 778 2HB TYR 37 1HB TYR 37 17.894 -7.961 2.379 779 HD1 TYR 37 1HD TYR 37 15.833 -8.459 1.106 780 HD2 TYR 37 2HD TYR 37 17.301 -11.064 4.176 781 HE1 TYR 37 1HE TYR 37 13.683 -9.636 1.104 782 HE2 TYR 37 2HE TYR 37 15.123 -12.248 4.205 783 HH TYR 37 HH TYR 37 12.755 -11.773 3.574 784 H CYS 38 H CYS 38 17.388 -8.046 0.033 785 HA CYS 38 HA CYS 38 15.476 -9.658 -1.192 786 1HB CYS 38 2HB CYS 38 15.805 -7.127 -1.078 787 2HB CYS 38 1HB CYS 38 16.907 -7.312 -2.424 788 HG CYS 38 HG CYS 38 13.862 -7.945 -2.580 789 H GLU 39 H GLU 39 18.690 -8.746 -2.492 790 HA GLU 39 HA GLU 39 18.451 -10.526 -4.790 791 1HB GLU 39 2HB GLU 39 20.889 -9.904 -4.987 792 2HB GLU 39 1HB GLU 39 19.846 -8.491 -4.791 793 1HG GLU 39 2HG GLU 39 21.055 -7.919 -2.980 794 2HG GLU 39 1HG GLU 39 20.434 -9.368 -2.182 795 H LYS 40 H LYS 40 19.017 -10.955 -1.451 796 HA LYS 40 HA LYS 40 20.728 -13.331 -1.783 797 1HB LYS 40 2HB LYS 40 21.038 -11.994 0.242 798 2HB LYS 40 1HB LYS 40 19.304 -12.034 0.576 799 1HG LYS 40 2HG LYS 40 19.377 -14.445 0.901 800 2HG LYS 40 1HG LYS 40 21.095 -14.469 0.510 801 1HD LYS 40 2HD LYS 40 21.007 -12.551 2.468 802 2HD LYS 40 1HD LYS 40 19.747 -13.665 3.001 803 1HE LYS 40 2HE LYS 40 21.293 -15.533 2.980 804 2HE LYS 40 1HE LYS 40 22.553 -14.532 2.230 805 1HZ LYS 40 1HZ LYS 40 22.837 -13.293 4.122 806 2HZ LYS 40 2HZ LYS 40 22.476 -14.803 4.811 807 3HZ LYS 40 3HZ LYS 40 21.276 -13.605 4.708 808 H LYS 41 H LYS 41 17.509 -12.233 -1.296 809 HA LYS 41 HA LYS 41 16.175 -14.681 -0.697 810 1HB LYS 41 2HB LYS 41 15.274 -12.172 -2.102 811 2HB LYS 41 1HB LYS 41 14.243 -13.319 -1.288 812 1HG LYS 41 2HG LYS 41 15.888 -11.158 -0.226 813 2HG LYS 41 1HG LYS 41 14.390 -11.829 0.388 814 1HD LYS 41 2HD LYS 41 16.931 -13.416 0.586 815 2HD LYS 41 1HD LYS 41 16.533 -12.201 1.741 816 1HE LYS 41 2HE LYS 41 14.529 -13.300 2.397 817 2HE LYS 41 1HE LYS 41 14.590 -14.352 0.980 818 1HZ LYS 41 1HZ LYS 41 16.928 -14.928 1.950 819 2HZ LYS 41 2HZ LYS 41 15.542 -15.708 2.546 820 3HZ LYS 41 3HZ LYS 41 16.234 -14.420 3.412 821 H GLY 42 H GLY 42 16.266 -12.602 -3.492 822 1HA GLY 42 2HA GLY 42 17.043 -13.820 -5.591 823 2HA GLY 42 1HA GLY 42 15.687 -14.877 -5.285 824 H TRP 43 H TRP 43 16.272 -11.379 -5.387 825 HA TRP 43 HA TRP 43 14.039 -11.131 -7.352 826 1HB TRP 43 2HB TRP 43 14.840 -8.813 -5.679 827 2HB TRP 43 1HB TRP 43 13.333 -9.120 -6.436 828 HD1 TRP 43 HD TRP 43 14.920 -11.656 -4.134 829 HE1 TRP 43 1HE TRP 43 13.562 -11.849 -2.099 830 HE3 TRP 43 3HE TRP 43 11.539 -7.891 -4.836 831 HZ2 TRP 43 2HZ TRP 43 11.481 -10.666 -0.722 832 HZ3 TRP 43 3HZ TRP 43 9.878 -7.442 -3.083 833 HH2 TRP 43 HH TRP 43 9.808 -8.828 -1.018 834 H ILE 44 H ILE 44 16.682 -9.829 -5.759 835 HA ILE 44 HA ILE 44 18.731 -9.163 -6.478 836 HB ILE 44 HB ILE 44 17.676 -9.132 -9.277 837 1HG1 ILE 44 2HG1 ILE 44 19.030 -11.569 -8.301 838 2HG1 ILE 44 1HG1 ILE 44 17.417 -11.334 -7.691 839 1HG2 ILE 44 1HG2 ILE 44 20.218 -10.096 -9.366 840 2HG2 ILE 44 2HG2 ILE 44 20.315 -9.166 -7.864 841 3HG2 ILE 44 3HG2 ILE 44 19.870 -8.365 -9.377 842 1HD1 ILE 44 1HD1 ILE 44 17.712 -10.783 -10.567 843 2HD1 ILE 44 2HD1 ILE 44 16.447 -11.670 -9.715 844 3HD1 ILE 44 3HD1 ILE 44 17.972 -12.466 -10.111 845 H VAL 45 H VAL 45 16.131 -7.615 -6.285 846 HA VAL 45 HA VAL 45 15.691 -5.380 -7.689 847 HB VAL 45 HB VAL 45 15.506 -4.222 -5.450 848 1HG1 VAL 45 1HG1 VAL 45 14.366 -6.992 -5.790 849 2HG1 VAL 45 2HG1 VAL 45 13.628 -5.474 -6.299 850 3HG1 VAL 45 3HG1 VAL 45 13.802 -5.840 -4.581 851 1HG2 VAL 45 1HG2 VAL 45 15.940 -5.610 -3.454 852 2HG2 VAL 45 2HG2 VAL 45 17.419 -5.297 -4.360 853 3HG2 VAL 45 3HG2 VAL 45 16.619 -6.862 -4.493 854 H ASN 46 H ASN 46 17.221 -4.268 -8.881 855 HA ASN 46 HA ASN 46 19.120 -2.533 -7.555 856 1HB ASN 46 2HB ASN 46 20.352 -4.533 -7.156 857 2HB ASN 46 1HB ASN 46 20.008 -5.155 -8.771 858 1HD2 ASN 46 1HD2 ASN 46 22.513 -5.331 -8.742 859 2HD2 ASN 46 2HD2 ASN 46 23.383 -3.969 -9.260 860 H ILE 47 H ILE 47 18.518 -0.877 -8.961 861 HA ILE 47 HA ILE 47 17.959 -1.131 -11.744 862 HB ILE 47 HB ILE 47 17.286 0.772 -10.377 863 1HG1 ILE 47 2HG1 ILE 47 18.361 2.647 -11.801 864 2HG1 ILE 47 1HG1 ILE 47 19.228 1.347 -12.619 865 1HG2 ILE 47 1HG2 ILE 47 19.715 2.238 -10.154 866 2HG2 ILE 47 2HG2 ILE 47 20.023 0.622 -9.521 867 3HG2 ILE 47 3HG2 ILE 47 18.716 1.599 -8.849 868 1HD1 ILE 47 1HD1 ILE 47 16.614 0.417 -12.542 869 2HD1 ILE 47 2HD1 ILE 47 17.401 1.155 -13.938 870 3HD1 ILE 47 3HD1 ILE 47 16.421 2.142 -12.853 871 H THR 48 H THR 48 19.291 -1.050 -13.550 872 HA THR 48 HA THR 48 22.116 -1.617 -13.256 873 HB THR 48 HB THR 48 21.009 -0.641 -15.836 874 HG1 THR 48 1HG THR 48 20.117 -3.132 -14.963 875 1HG2 THR 48 1HG2 THR 48 22.869 -1.838 -16.334 876 2HG2 THR 48 2HG2 THR 48 21.833 -3.250 -16.120 877 3HG2 THR 48 3HG2 THR 48 22.843 -2.687 -14.788 878 H SER 49 H SER 49 22.230 0.576 -11.858 879 HA SER 49 HA SER 49 22.777 2.874 -13.695 880 1HB SER 49 2HB SER 49 21.104 3.273 -11.980 881 2HB SER 49 1HB SER 49 22.181 2.662 -10.728 882 HG SER 49 HG SER 49 22.308 4.888 -10.734 883 H GLN 50 H GLN 50 24.126 3.129 -10.554 884 HA GLN 50 HA GLN 50 26.822 3.305 -11.585 885 1HB GLN 50 2HB GLN 50 25.610 4.430 -9.555 886 2HB GLN 50 1HB GLN 50 26.067 2.963 -8.688 887 1HG GLN 50 2HG GLN 50 28.422 3.570 -9.917 888 2HG GLN 50 1HG GLN 50 27.762 5.186 -9.658 889 1HE2 GLN 50 1HE2 GLN 50 27.497 2.208 -7.637 890 2HE2 GLN 50 2HE2 GLN 50 28.139 2.926 -6.239 891 H VAL 51 H VAL 51 28.227 1.635 -11.901 892 HA VAL 51 HA VAL 51 27.655 -0.984 -10.559 893 HB VAL 51 HB VAL 51 29.116 -0.230 -13.112 894 1HG1 VAL 51 1HG1 VAL 51 28.632 -2.970 -13.122 895 2HG1 VAL 51 2HG1 VAL 51 29.165 -2.651 -11.472 896 3HG1 VAL 51 3HG1 VAL 51 30.192 -2.200 -12.832 897 1HG2 VAL 51 1HG2 VAL 51 27.134 -0.537 -14.150 898 2HG2 VAL 51 2HG2 VAL 51 26.380 -0.580 -12.556 899 3HG2 VAL 51 3HG2 VAL 51 26.888 -2.080 -13.331 900 H GLN 52 H GLN 52 29.531 -2.148 -9.705 901 HA GLN 52 HA GLN 52 31.923 -0.395 -9.234 902 1HB GLN 52 2HB GLN 52 30.709 -2.398 -7.312 903 2HB GLN 52 1HB GLN 52 31.928 -1.173 -6.954 904 1HG GLN 52 2HG GLN 52 30.355 0.611 -7.268 905 2HG GLN 52 1HG GLN 52 29.153 -0.487 -7.946 906 1HE2 GLN 52 1HE2 GLN 52 31.184 -1.072 -5.051 907 2HE2 GLN 52 2HE2 GLN 52 29.884 -1.166 -3.964 908 H THR 53 H THR 53 33.794 -1.867 -8.353 909 HA THR 53 HA THR 53 33.810 -4.518 -9.741 910 HB THR 53 HB THR 53 35.866 -3.943 -10.833 911 HG1 THR 53 1HG THR 53 37.168 -2.557 -9.968 912 1HG2 THR 53 1HG2 THR 53 35.274 -1.795 -12.014 913 2HG2 THR 53 2HG2 THR 53 33.939 -1.608 -10.878 914 3HG2 THR 53 3HG2 THR 53 33.972 -2.985 -11.979 915 H GLU 54 H GLU 54 35.396 -2.317 -7.430 916 HA GLU 54 HA GLU 54 36.619 -2.780 -5.463 917 1HB GLU 54 2HB GLU 54 34.309 -4.345 -5.607 918 2HB GLU 54 1HB GLU 54 35.575 -5.490 -5.160 919 1HG GLU 54 2HG GLU 54 36.294 -3.813 -3.383 920 2HG GLU 54 1HG GLU 54 34.801 -2.940 -3.726 921 H ARG 55 H ARG 55 38.787 -3.086 -5.892 922 HA ARG 55 HA ARG 55 39.870 -5.130 -7.585 923 1HB ARG 55 2HB ARG 55 40.709 -2.840 -6.235 924 2HB ARG 55 1HB ARG 55 41.634 -4.135 -5.476 925 1HG ARG 55 2HG ARG 55 41.602 -4.613 -8.293 926 2HG ARG 55 1HG ARG 55 42.065 -2.932 -8.031 927 1HD ARG 55 2HD ARG 55 43.416 -4.551 -6.078 928 2HD ARG 55 1HD ARG 55 43.697 -5.241 -7.688 929 HE ARG 55 HE ARG 55 44.644 -2.643 -6.771 930 1HH1 ARG 55 1HH1 ARG 55 45.969 -4.463 -8.812 931 2HH1 ARG 55 2HH1 ARG 55 45.765 -3.547 -10.268 932 1HH2 ARG 55 1HH2 ARG 55 43.336 -1.465 -8.932 933 2HH2 ARG 55 2HH2 ARG 55 44.274 -1.850 -10.336 934 H ASN 56 H ASN 56 41.756 -6.553 -6.434 935 HA ASN 56 HA ASN 56 40.931 -7.735 -3.869 936 1HB ASN 56 2HB ASN 56 40.673 -10.004 -5.064 937 2HB ASN 56 1HB ASN 56 39.363 -8.842 -5.283 938 1HD2 ASN 56 1HD2 ASN 56 39.101 -7.865 -7.392 939 2HD2 ASN 56 2HD2 ASN 56 39.960 -8.409 -8.750 940 H ILE 57 H ILE 57 42.308 -10.128 -4.035 941 HA ILE 57 HA ILE 57 45.103 -9.195 -4.126 942 HB ILE 57 HB ILE 57 45.495 -11.415 -3.093 943 1HG1 ILE 57 2HG1 ILE 57 42.884 -12.341 -2.630 944 2HG1 ILE 57 1HG1 ILE 57 42.926 -11.938 -4.347 945 1HG2 ILE 57 1HG2 ILE 57 43.860 -11.099 -1.138 946 2HG2 ILE 57 2HG2 ILE 57 43.198 -9.746 -2.055 947 3HG2 ILE 57 3HG2 ILE 57 44.884 -9.719 -1.535 948 1HD1 ILE 57 1HD1 ILE 57 44.048 -13.849 -4.733 949 2HD1 ILE 57 2HD1 ILE 57 44.114 -14.191 -3.004 950 3HD1 ILE 57 3HD1 ILE 57 45.381 -13.227 -3.761 951 H ASN 58 H ASN 58 46.483 -11.440 -4.896 952 HA ASN 58 HA ASN 58 45.479 -12.317 -7.545 953 1HB ASN 58 2HB ASN 58 47.162 -10.069 -7.161 954 2HB ASN 58 1HB ASN 58 48.189 -11.351 -7.807 955 1HD2 ASN 58 1HD2 ASN 58 48.288 -11.150 -10.043 956 2HD2 ASN 58 2HD2 ASN 58 46.971 -10.774 -11.047 957 H ARG 59 H ARG 59 46.416 -14.295 -8.162 958 HA ARG 59 HA ARG 59 47.996 -15.688 -6.095 959 1HB ARG 59 2HB ARG 59 46.145 -16.294 -8.223 960 2HB ARG 59 1HB ARG 59 47.607 -17.261 -8.424 961 1HG ARG 59 2HG ARG 59 46.375 -17.019 -5.699 962 2HG ARG 59 1HG ARG 59 45.669 -18.134 -6.870 963 1HD ARG 59 2HD ARG 59 48.554 -18.408 -6.866 964 2HD ARG 59 1HD ARG 59 47.905 -18.635 -5.230 965 HE ARG 59 HE ARG 59 46.159 -20.005 -6.958 966 1HH1 ARG 59 1HH1 ARG 59 48.848 -20.486 -5.025 967 2HH1 ARG 59 2HH1 ARG 59 49.304 -22.002 -5.725 968 1HH2 ARG 59 1HH2 ARG 59 47.010 -21.797 -8.317 969 2HH2 ARG 59 2HH2 ARG 59 48.263 -22.745 -7.589 970 H ALA 60 H ALA 60 50.200 -15.524 -6.162 971 HA ALA 60 HA ALA 60 51.682 -16.069 -8.608 972 1HB ALA 60 1HB ALA 60 51.898 -13.279 -7.454 973 2HB ALA 60 2HB ALA 60 50.800 -13.665 -8.779 974 3HB ALA 60 3HB ALA 60 52.539 -13.867 -8.988 Start of MODEL 3 1 1H MET 1 1HT MET 1 -31.070 -5.301 7.361 2 2H MET 1 2HT MET 1 -30.943 -3.815 8.176 3 3H MET 1 3HT MET 1 -31.928 -5.050 8.802 4 HA MET 1 HA MET 1 -30.125 -5.402 10.126 5 1HB MET 1 2HB MET 1 -30.407 -7.009 7.791 6 2HB MET 1 1HB MET 1 -28.678 -6.857 8.110 7 1HG MET 1 2HG MET 1 -30.170 -7.284 10.569 8 2HG MET 1 1HG MET 1 -30.459 -8.582 9.411 9 1HE MET 1 1HE MET 1 -27.777 -10.845 10.035 10 2HE MET 1 2HE MET 1 -28.555 -10.296 8.553 11 3HE MET 1 3HE MET 1 -29.504 -10.460 10.028 12 H GLY 2 H GLY 2 -29.035 -3.378 10.427 13 1HA GLY 2 2HA GLY 2 -26.805 -2.421 10.462 14 2HA GLY 2 1HA GLY 2 -26.504 -3.145 8.881 15 HA PRO 3 HA PRO 3 -28.501 1.215 8.637 16 1HB PRO 3 2HB PRO 3 -26.452 2.921 9.229 17 2HB PRO 3 1HB PRO 3 -27.582 2.327 10.464 18 1HG PRO 3 2HG PRO 3 -24.817 1.420 9.830 19 2HG PRO 3 1HG PRO 3 -25.609 1.619 11.406 20 1HD PRO 3 2HD PRO 3 -25.279 -0.798 10.180 21 2HD PRO 3 1HD PRO 3 -26.602 -0.443 11.313 22 H LEU 4 H LEU 4 -25.048 0.540 8.098 23 HA LEU 4 HA LEU 4 -25.394 1.043 5.180 24 1HB LEU 4 2HB LEU 4 -24.500 2.960 6.942 25 2HB LEU 4 1HB LEU 4 -22.988 2.212 6.435 26 HG LEU 4 HG LEU 4 -24.796 2.652 4.185 27 1HD1 LEU 4 1HD1 LEU 4 -25.413 4.793 4.509 28 2HD1 LEU 4 2HD1 LEU 4 -23.739 5.255 4.817 29 3HD1 LEU 4 3HD1 LEU 4 -24.761 4.703 6.145 30 1HD2 LEU 4 1HD2 LEU 4 -22.317 4.150 4.173 31 2HD2 LEU 4 2HD2 LEU 4 -22.783 2.773 3.176 32 3HD2 LEU 4 3HD2 LEU 4 -22.037 2.508 4.752 33 H GLN 5 H GLN 5 -25.005 -1.435 6.606 34 HA GLN 5 HA GLN 5 -23.640 -3.361 6.391 35 1HB GLN 5 2HB GLN 5 -23.173 -1.778 4.178 36 2HB GLN 5 1HB GLN 5 -21.550 -1.966 4.844 37 1HG GLN 5 2HG GLN 5 -21.614 -3.901 3.610 38 2HG GLN 5 1HG GLN 5 -22.396 -4.512 5.067 39 1HE2 GLN 5 1HE2 GLN 5 -23.367 -2.730 2.069 40 2HE2 GLN 5 2HE2 GLN 5 -24.803 -3.607 1.845 41 H TYR 6 H TYR 6 -23.007 -0.669 8.057 42 HA TYR 6 HA TYR 6 -21.312 0.070 9.537 43 1HB TYR 6 2HB TYR 6 -22.518 -2.309 10.172 44 2HB TYR 6 1HB TYR 6 -20.811 -2.741 10.279 45 HD1 TYR 6 1HD TYR 6 -19.522 -2.098 12.139 46 HD2 TYR 6 2HD TYR 6 -23.291 -0.171 11.395 47 HE1 TYR 6 1HE TYR 6 -19.346 -0.921 14.310 48 HE2 TYR 6 2HE TYR 6 -23.117 1.005 13.573 49 HH TYR 6 HH TYR 6 -21.745 1.509 15.281 50 H LYS 7 H LYS 7 -19.053 -1.304 10.499 51 HA LYS 7 HA LYS 7 -16.816 -1.841 9.958 52 1HB LYS 7 2HB LYS 7 -18.471 -3.070 8.051 53 2HB LYS 7 1HB LYS 7 -17.233 -2.248 7.102 54 1HG LYS 7 2HG LYS 7 -15.466 -3.377 8.265 55 2HG LYS 7 1HG LYS 7 -16.582 -4.007 9.477 56 1HD LYS 7 2HD LYS 7 -17.552 -4.786 6.906 57 2HD LYS 7 1HD LYS 7 -15.838 -5.193 6.987 58 1HE LYS 7 2HE LYS 7 -18.035 -6.071 8.884 59 2HE LYS 7 1HE LYS 7 -16.964 -7.094 7.907 60 1HZ LYS 7 1HZ LYS 7 -15.187 -5.600 9.216 61 2HZ LYS 7 2HZ LYS 7 -15.725 -7.110 9.776 62 3HZ LYS 7 3HZ LYS 7 -16.412 -5.682 10.387 63 H ASP 8 H ASP 8 -15.211 -0.339 9.602 64 HA ASP 8 HA ASP 8 -15.839 1.965 7.792 65 1HB ASP 8 2HB ASP 8 -15.526 2.429 10.202 66 2HB ASP 8 1HB ASP 8 -13.932 1.674 10.138 67 H LEU 9 H LEU 9 -14.843 1.639 5.826 68 HA LEU 9 HA LEU 9 -11.975 0.764 5.858 69 1HB LEU 9 2HB LEU 9 -12.569 -0.465 3.730 70 2HB LEU 9 1HB LEU 9 -13.370 -1.100 5.168 71 HG LEU 9 HG LEU 9 -14.817 1.068 3.762 72 1HD1 LEU 9 1HD1 LEU 9 -15.405 -0.111 1.847 73 2HD1 LEU 9 2HD1 LEU 9 -15.009 -1.674 2.563 74 3HD1 LEU 9 3HD1 LEU 9 -13.719 -0.598 2.024 75 1HD2 LEU 9 1HD2 LEU 9 -15.505 -0.457 5.775 76 2HD2 LEU 9 2HD2 LEU 9 -15.840 -1.660 4.529 77 3HD2 LEU 9 3HD2 LEU 9 -16.698 -0.119 4.522 78 H LYS 10 H LYS 10 -10.850 1.436 3.781 79 HA LYS 10 HA LYS 10 -10.258 3.107 2.216 80 1HB LYS 10 2HB LYS 10 -12.538 2.279 1.398 81 2HB LYS 10 1HB LYS 10 -13.229 3.691 2.199 82 1HG LYS 10 2HG LYS 10 -11.161 4.819 0.793 83 2HG LYS 10 1HG LYS 10 -11.664 3.525 -0.295 84 1HD LYS 10 2HD LYS 10 -13.361 4.846 -0.962 85 2HD LYS 10 1HD LYS 10 -14.055 4.665 0.649 86 1HE LYS 10 2HE LYS 10 -13.855 7.015 0.401 87 2HE LYS 10 1HE LYS 10 -12.390 6.585 1.308 88 1HZ LYS 10 1HZ LYS 10 -11.073 6.887 -0.482 89 2HZ LYS 10 2HZ LYS 10 -12.327 7.911 -1.000 90 3HZ LYS 10 3HZ LYS 10 -12.232 6.316 -1.581 91 H ILE 11 H ILE 11 -9.190 4.816 3.156 92 HA ILE 11 HA ILE 11 -10.809 7.026 4.294 93 HB ILE 11 HB ILE 11 -8.866 6.991 6.134 94 1HG1 ILE 11 2HG1 ILE 11 -9.298 4.071 6.106 95 2HG1 ILE 11 1HG1 ILE 11 -8.267 4.659 4.802 96 1HG2 ILE 11 1HG2 ILE 11 -11.312 6.938 6.493 97 2HG2 ILE 11 2HG2 ILE 11 -10.438 5.897 7.617 98 3HG2 ILE 11 3HG2 ILE 11 -11.291 5.192 6.244 99 1HD1 ILE 11 1HD1 ILE 11 -6.708 4.339 6.505 100 2HD1 ILE 11 2HD1 ILE 11 -7.841 4.824 7.768 101 3HD1 ILE 11 3HD1 ILE 11 -7.115 6.042 6.720 102 H ASP 12 H ASP 12 -7.465 6.942 4.991 103 HA ASP 12 HA ASP 12 -6.957 9.304 3.442 104 1HB ASP 12 2HB ASP 12 -5.883 8.241 5.616 105 2HB ASP 12 1HB ASP 12 -4.804 7.476 4.458 106 H ILE 13 H ILE 13 -4.193 7.927 2.777 107 HA ILE 13 HA ILE 13 -4.854 7.371 -0.023 108 HB ILE 13 HB ILE 13 -2.413 7.223 -0.214 109 1HG1 ILE 13 2HG1 ILE 13 -1.622 7.776 2.474 110 2HG1 ILE 13 1HG1 ILE 13 -2.656 6.346 2.504 111 1HG2 ILE 13 1HG2 ILE 13 -1.926 9.444 0.388 112 2HG2 ILE 13 2HG2 ILE 13 -2.919 9.365 1.844 113 3HG2 ILE 13 3HG2 ILE 13 -3.685 9.452 0.257 114 1HD1 ILE 13 1HD1 ILE 13 -1.266 5.395 0.629 115 2HD1 ILE 13 2HD1 ILE 13 -0.383 5.604 2.140 116 3HD1 ILE 13 3HD1 ILE 13 -0.168 6.759 0.826 117 H LYS 14 H LYS 14 -3.786 5.307 -1.003 118 HA LYS 14 HA LYS 14 -5.046 2.975 -0.036 119 1HB LYS 14 2HB LYS 14 -2.753 3.618 -1.862 120 2HB LYS 14 1HB LYS 14 -3.084 1.929 -1.476 121 1HG LYS 14 2HG LYS 14 -5.161 3.865 -2.536 122 2HG LYS 14 1HG LYS 14 -4.266 2.725 -3.541 123 1HD LYS 14 2HD LYS 14 -5.401 1.391 -1.227 124 2HD LYS 14 1HD LYS 14 -6.652 2.215 -2.158 125 1HE LYS 14 2HE LYS 14 -4.576 0.530 -3.563 126 2HE LYS 14 1HE LYS 14 -6.031 -0.212 -2.867 127 1HZ LYS 14 1HZ LYS 14 -5.793 1.688 -5.072 128 2HZ LYS 14 2HZ LYS 14 -7.120 1.886 -4.030 129 3HZ LYS 14 3HZ LYS 14 -6.896 0.418 -4.854 130 H THR 15 H THR 15 -4.315 1.233 1.244 131 HA THR 15 HA THR 15 -1.641 1.465 2.537 132 HB THR 15 HB THR 15 -2.902 0.931 4.716 133 HG1 THR 15 1HG THR 15 -5.073 1.742 4.640 134 1HG2 THR 15 1HG2 THR 15 -1.860 3.079 4.373 135 2HG2 THR 15 2HG2 THR 15 -3.474 3.361 5.027 136 3HG2 THR 15 3HG2 THR 15 -3.167 3.596 3.305 137 H SER 16 H SER 16 -0.789 -0.500 1.780 138 HA SER 16 HA SER 16 -2.342 -2.833 1.251 139 1HB SER 16 2HB SER 16 0.614 -2.465 1.811 140 2HB SER 16 1HB SER 16 -0.101 -3.881 1.064 141 HG SER 16 HG SER 16 0.676 -2.336 -0.454 142 HA PRO 17 HA PRO 17 0.843 -3.961 2.591 143 1HB PRO 17 2HB PRO 17 1.957 -5.277 4.657 144 2HB PRO 17 1HB PRO 17 1.810 -3.523 4.659 145 1HG PRO 17 2HG PRO 17 0.522 -5.414 6.359 146 2HG PRO 17 1HG PRO 17 0.366 -3.655 6.371 147 1HD PRO 17 2HD PRO 17 -1.351 -5.674 5.058 148 2HD PRO 17 1HD PRO 17 -1.750 -4.096 5.721 149 HA PRO 18 HA PRO 18 -0.933 -8.392 3.166 150 1HB PRO 18 2HB PRO 18 -2.483 -8.686 0.906 151 2HB PRO 18 1HB PRO 18 -3.078 -8.163 2.506 152 1HG PRO 18 2HG PRO 18 -2.365 -6.485 0.150 153 2HG PRO 18 1HG PRO 18 -3.760 -6.383 1.229 154 1HD PRO 18 2HD PRO 18 -1.650 -4.757 1.535 155 2HD PRO 18 1HD PRO 18 -2.561 -5.374 2.929 156 HA PRO 19 HA PRO 19 1.555 -9.099 -0.853 157 1HB PRO 19 2HB PRO 19 2.851 -6.909 -1.869 158 2HB PRO 19 1HB PRO 19 1.261 -7.429 -2.463 159 1HG PRO 19 2HG PRO 19 1.946 -5.256 -0.544 160 2HG PRO 19 1HG PRO 19 0.736 -5.280 -1.837 161 1HD PRO 19 2HD PRO 19 0.105 -5.623 0.768 162 2HD PRO 19 1HD PRO 19 -0.810 -6.365 -0.553 163 H GLU 20 H GLU 20 2.371 -9.645 1.415 164 HA GLU 20 HA GLU 20 4.164 -8.169 2.985 165 1HB GLU 20 2HB GLU 20 4.986 -10.577 3.557 166 2HB GLU 20 1HB GLU 20 3.306 -10.153 3.871 167 1HG GLU 20 2HG GLU 20 2.526 -11.572 2.264 168 2HG GLU 20 1HG GLU 20 3.839 -11.183 1.150 169 H CYS 21 H CYS 21 5.245 -7.392 0.554 170 HA CYS 21 HA CYS 21 7.571 -9.108 -0.001 171 1HB CYS 21 2HB CYS 21 8.096 -6.683 -1.253 172 2HB CYS 21 1HB CYS 21 7.366 -8.094 -1.995 173 HG CYS 21 HG CYS 21 5.218 -6.874 -2.164 174 H ILE 22 H ILE 22 6.849 -6.230 1.885 175 HA ILE 22 HA ILE 22 9.667 -5.617 2.457 176 HB ILE 22 HB ILE 22 7.111 -4.825 3.892 177 1HG1 ILE 22 2HG1 ILE 22 6.630 -3.574 2.109 178 2HG1 ILE 22 1HG1 ILE 22 8.049 -2.610 2.470 179 1HG2 ILE 22 1HG2 ILE 22 8.663 -4.105 5.372 180 2HG2 ILE 22 2HG2 ILE 22 8.865 -2.784 4.221 181 3HG2 ILE 22 3HG2 ILE 22 9.967 -4.156 4.184 182 1HD1 ILE 22 1HD1 ILE 22 9.340 -4.425 1.104 183 2HD1 ILE 22 2HD1 ILE 22 8.404 -3.220 0.228 184 3HD1 ILE 22 3HD1 ILE 22 7.751 -4.841 0.464 185 H ASN 23 H ASN 23 6.935 -6.817 4.424 186 HA ASN 23 HA ASN 23 8.588 -7.523 6.658 187 1HB ASN 23 2HB ASN 23 6.648 -8.742 7.413 188 2HB ASN 23 1HB ASN 23 6.094 -7.257 6.645 189 1HD2 ASN 23 1HD2 ASN 23 4.940 -10.164 6.951 190 2HD2 ASN 23 2HD2 ASN 23 4.410 -10.521 5.381 191 H ASP 24 H ASP 24 7.299 -9.635 4.014 192 HA ASP 24 HA ASP 24 8.648 -12.000 4.806 193 1HB ASP 24 2HB ASP 24 6.910 -11.647 2.973 194 2HB ASP 24 1HB ASP 24 8.208 -10.984 1.978 195 H LEU 25 H LEU 25 9.714 -9.020 3.445 196 HA LEU 25 HA LEU 25 12.295 -9.973 2.519 197 1HB LEU 25 2HB LEU 25 11.625 -8.107 1.370 198 2HB LEU 25 1HB LEU 25 10.749 -7.451 2.715 199 HG LEU 25 HG LEU 25 13.391 -7.335 3.595 200 1HD1 LEU 25 1HD1 LEU 25 13.816 -5.925 1.160 201 2HD1 LEU 25 2HD1 LEU 25 13.527 -7.631 0.819 202 3HD1 LEU 25 3HD1 LEU 25 14.815 -7.154 1.929 203 1HD2 LEU 25 1HD2 LEU 25 13.145 -4.875 3.016 204 2HD2 LEU 25 2HD2 LEU 25 11.882 -5.574 4.028 205 3HD2 LEU 25 3HD2 LEU 25 11.585 -5.302 2.309 206 H LEU 26 H LEU 26 11.264 -7.582 4.802 207 HA LEU 26 HA LEU 26 13.706 -7.445 6.171 208 1HB LEU 26 2HB LEU 26 12.315 -5.560 5.972 209 2HB LEU 26 1HB LEU 26 10.908 -6.448 6.525 210 HG LEU 26 HG LEU 26 11.957 -6.710 8.716 211 1HD1 LEU 26 1HD1 LEU 26 13.871 -4.692 8.636 212 2HD1 LEU 26 2HD1 LEU 26 14.186 -5.643 7.193 213 3HD1 LEU 26 3HD1 LEU 26 14.197 -6.413 8.782 214 1HD2 LEU 26 1HD2 LEU 26 12.098 -3.782 8.234 215 2HD2 LEU 26 2HD2 LEU 26 11.158 -4.670 9.430 216 3HD2 LEU 26 3HD2 LEU 26 10.599 -4.574 7.761 217 H GLN 27 H GLN 27 11.453 -9.887 6.321 218 HA GLN 27 HA GLN 27 11.258 -10.329 9.149 219 1HB GLN 27 2HB GLN 27 10.957 -11.924 6.603 220 2HB GLN 27 1HB GLN 27 10.825 -12.707 8.167 221 1HG GLN 27 2HG GLN 27 9.299 -10.216 7.979 222 2HG GLN 27 1HG GLN 27 8.758 -11.457 6.853 223 1HE2 GLN 27 1HE2 GLN 27 7.436 -10.410 9.318 224 2HE2 GLN 27 2HE2 GLN 27 7.163 -11.769 10.297 225 H ALA 28 H ALA 28 13.827 -10.402 6.905 226 HA ALA 28 HA ALA 28 15.391 -12.224 8.661 227 1HB ALA 28 1HB ALA 28 14.578 -12.648 6.078 228 2HB ALA 28 2HB ALA 28 15.961 -13.438 6.836 229 3HB ALA 28 3HB ALA 28 16.203 -11.995 5.847 230 H VAL 29 H VAL 29 15.375 -8.987 7.146 231 HA VAL 29 HA VAL 29 18.329 -8.926 7.624 232 HB VAL 29 HB VAL 29 17.967 -8.131 5.470 233 1HG1 VAL 29 1HG1 VAL 29 16.015 -6.689 4.860 234 2HG1 VAL 29 2HG1 VAL 29 15.418 -6.874 6.505 235 3HG1 VAL 29 3HG1 VAL 29 15.556 -8.281 5.449 236 1HG2 VAL 29 1HG2 VAL 29 18.224 -5.718 5.464 237 2HG2 VAL 29 2HG2 VAL 29 19.090 -6.366 6.857 238 3HG2 VAL 29 3HG2 VAL 29 17.517 -5.598 7.076 239 H ASP 30 H ASP 30 15.834 -8.591 9.518 240 HA ASP 30 HA ASP 30 15.400 -7.235 11.430 241 1HB ASP 30 2HB ASP 30 18.317 -7.633 10.971 242 2HB ASP 30 1HB ASP 30 17.853 -6.537 12.254 243 H SER 31 H SER 31 14.365 -5.354 10.344 244 HA SER 31 HA SER 31 16.089 -2.992 10.494 245 1HB SER 31 2HB SER 31 16.311 -4.650 8.366 246 2HB SER 31 1HB SER 31 15.060 -3.603 7.764 247 HG SER 31 HG SER 31 17.681 -3.023 8.633 248 H GLN 32 H GLN 32 14.000 -3.033 11.959 249 HA GLN 32 HA GLN 32 11.381 -2.683 11.081 250 1HB GLN 32 2HB GLN 32 12.814 -2.403 13.400 251 2HB GLN 32 1HB GLN 32 12.374 -0.729 13.073 252 1HG GLN 32 2HG GLN 32 10.074 -2.330 12.560 253 2HG GLN 32 1HG GLN 32 10.726 -2.823 14.124 254 1HE2 GLN 32 1HE2 GLN 32 8.983 -0.354 12.463 255 2HE2 GLN 32 2HE2 GLN 32 8.894 0.743 13.749 256 H GLU 33 H GLU 33 14.134 -0.571 10.587 257 HA GLU 33 HA GLU 33 12.729 1.863 10.034 258 1HB GLU 33 2HB GLU 33 15.260 0.772 8.767 259 2HB GLU 33 1HB GLU 33 14.805 2.468 8.921 260 1HG GLU 33 2HG GLU 33 14.787 1.007 11.471 261 2HG GLU 33 1HG GLU 33 16.380 1.100 10.718 262 H VAL 34 H VAL 34 13.219 -1.094 8.230 263 HA VAL 34 HA VAL 34 12.321 0.039 5.677 264 HB VAL 34 HB VAL 34 13.551 -2.391 6.736 265 1HG1 VAL 34 1HG1 VAL 34 12.490 -3.961 5.090 266 2HG1 VAL 34 2HG1 VAL 34 11.238 -2.752 4.805 267 3HG1 VAL 34 3HG1 VAL 34 11.409 -3.483 6.398 268 1HG2 VAL 34 1HG2 VAL 34 14.689 -1.194 5.050 269 2HG2 VAL 34 2HG2 VAL 34 13.242 -1.052 4.050 270 3HG2 VAL 34 3HG2 VAL 34 14.056 -2.604 4.202 271 H ARG 35 H ARG 35 10.967 -1.993 8.276 272 HA ARG 35 HA ARG 35 8.331 -2.210 7.028 273 1HB ARG 35 2HB ARG 35 9.842 -3.192 9.249 274 2HB ARG 35 1HB ARG 35 8.313 -2.554 9.845 275 1HG ARG 35 2HG ARG 35 7.481 -3.930 7.642 276 2HG ARG 35 1HG ARG 35 8.834 -4.930 8.179 277 1HD ARG 35 2HD ARG 35 7.899 -5.100 10.416 278 2HD ARG 35 1HD ARG 35 6.603 -3.970 9.983 279 HE ARG 35 HE ARG 35 5.728 -5.668 8.429 280 1HH1 ARG 35 1HH2 ARG 35 8.772 -6.693 9.412 281 2HH1 ARG 35 2HH2 ARG 35 8.324 -8.343 9.686 282 1HH2 ARG 35 1HH1 ARG 35 4.932 -7.767 9.246 283 2HH2 ARG 35 2HH1 ARG 35 6.148 -8.951 9.591 284 H ASP 36 H ASP 36 9.838 -0.338 9.657 285 HA ASP 36 HA ASP 36 7.597 1.221 10.444 286 1HB ASP 36 2HB ASP 36 9.996 1.001 11.426 287 2HB ASP 36 1HB ASP 36 10.461 2.194 10.218 288 H TYR 37 H TYR 37 9.720 1.211 7.754 289 HA TYR 37 HA TYR 37 8.997 3.782 6.621 290 1HB TYR 37 2HB TYR 37 11.127 3.073 6.088 291 2HB TYR 37 1HB TYR 37 10.670 1.377 6.015 292 HD1 TYR 37 1HD TYR 37 9.291 0.549 4.120 293 HD2 TYR 37 2HD TYR 37 11.055 4.458 4.137 294 HE1 TYR 37 1HE TYR 37 8.823 0.746 1.724 295 HE2 TYR 37 2HE TYR 37 10.624 4.659 1.701 296 HH TYR 37 HH TYR 37 8.488 2.798 0.073 297 H CYS 38 H CYS 38 8.489 0.351 5.894 298 HA CYS 38 HA CYS 38 6.728 0.503 3.735 299 1HB CYS 38 2HB CYS 38 7.873 -1.454 4.891 300 2HB CYS 38 1HB CYS 38 6.602 -1.380 6.085 301 HG CYS 38 HG CYS 38 4.872 -2.017 4.263 302 H GLU 39 H GLU 39 5.881 0.402 7.219 303 HA GLU 39 HA GLU 39 3.064 0.952 6.738 304 1HB GLU 39 2HB GLU 39 3.161 1.314 9.250 305 2HB GLU 39 1HB GLU 39 3.853 -0.228 8.737 306 1HG GLU 39 2HG GLU 39 5.814 0.349 9.675 307 2HG GLU 39 1HG GLU 39 5.915 1.723 8.571 308 H LYS 40 H LYS 40 5.922 2.812 6.591 309 HA LYS 40 HA LYS 40 4.626 5.325 7.414 310 1HB LYS 40 2HB LYS 40 7.037 5.013 7.852 311 2HB LYS 40 1HB LYS 40 7.314 4.667 6.142 312 1HG LYS 40 2HG LYS 40 6.785 6.881 5.487 313 2HG LYS 40 1HG LYS 40 6.098 7.266 7.066 314 1HD LYS 40 2HD LYS 40 8.124 7.783 7.923 315 2HD LYS 40 1HD LYS 40 8.847 6.314 7.262 316 1HE LYS 40 2HE LYS 40 9.757 7.453 5.525 317 2HE LYS 40 1HE LYS 40 8.213 8.251 5.162 318 1HZ LYS 40 1HZ LYS 40 10.154 8.998 7.283 319 2HZ LYS 40 2HZ LYS 40 8.597 9.664 7.145 320 3HZ LYS 40 3HZ LYS 40 9.743 9.911 5.914 321 H LYS 41 H LYS 41 5.573 3.402 4.732 322 HA LYS 41 HA LYS 41 5.113 5.188 2.559 323 1HB LYS 41 2HB LYS 41 4.857 2.197 2.814 324 2HB LYS 41 1HB LYS 41 5.119 3.077 1.334 325 1HG LYS 41 2HG LYS 41 6.988 2.274 3.422 326 2HG LYS 41 1HG LYS 41 7.261 2.517 1.706 327 1HD LYS 41 2HD LYS 41 6.800 4.881 3.499 328 2HD LYS 41 1HD LYS 41 8.352 4.144 3.360 329 1HE LYS 41 2HE LYS 41 8.504 4.590 1.034 330 2HE LYS 41 1HE LYS 41 6.774 4.940 0.940 331 1HZ LYS 41 1HZ LYS 41 8.153 6.973 1.059 332 2HZ LYS 41 2HZ LYS 41 8.712 6.477 2.586 333 3HZ LYS 41 3HZ LYS 41 7.068 6.837 2.357 334 H GLY 42 H GLY 42 3.416 2.421 3.818 335 1HA GLY 42 2HA GLY 42 1.003 2.950 4.437 336 2HA GLY 42 1HA GLY 42 0.846 3.431 2.766 337 H TRP 43 H TRP 43 2.188 0.683 4.553 338 HA TRP 43 HA TRP 43 0.500 -1.132 2.893 339 1HB TRP 43 2HB TRP 43 2.973 -2.131 4.198 340 2HB TRP 43 1HB TRP 43 2.158 -2.752 2.821 341 HD1 TRP 43 HD TRP 43 3.207 0.872 2.993 342 HE1 TRP 43 1HE TRP 43 4.993 1.262 1.356 343 HE3 TRP 43 3HE TRP 43 4.129 -3.883 1.382 344 HZ2 TRP 43 2HZ TRP 43 6.743 -0.025 -0.344 345 HZ3 TRP 43 3HZ TRP 43 5.919 -4.258 -0.263 346 HH2 TRP 43 HH TRP 43 7.235 -2.346 -1.161 347 H ILE 44 H ILE 44 2.477 -0.604 5.544 348 HA ILE 44 HA ILE 44 2.075 -0.627 7.780 349 HB ILE 44 HB ILE 44 -0.466 -2.114 7.241 350 1HG1 ILE 44 2HG1 ILE 44 -0.497 0.845 7.486 351 2HG1 ILE 44 1HG1 ILE 44 0.067 0.208 5.965 352 1HG2 ILE 44 1HG2 ILE 44 -0.311 -1.971 9.545 353 2HG2 ILE 44 2HG2 ILE 44 -0.918 -0.336 9.271 354 3HG2 ILE 44 3HG2 ILE 44 0.817 -0.612 9.474 355 1HD1 ILE 44 1HD1 ILE 44 -2.558 0.588 6.518 356 2HD1 ILE 44 2HD1 ILE 44 -2.362 -1.081 7.051 357 3HD1 ILE 44 3HD1 ILE 44 -1.973 -0.636 5.388 358 H VAL 45 H VAL 45 2.909 -2.871 5.917 359 HA VAL 45 HA VAL 45 2.539 -5.449 6.554 360 HB VAL 45 HB VAL 45 5.059 -5.646 6.447 361 1HG1 VAL 45 1HG1 VAL 45 3.760 -5.671 4.410 362 2HG1 VAL 45 2HG1 VAL 45 5.187 -4.668 4.150 363 3HG1 VAL 45 3HG1 VAL 45 3.621 -3.914 4.440 364 1HG2 VAL 45 1HG2 VAL 45 6.306 -3.558 6.012 365 2HG2 VAL 45 2HG2 VAL 45 5.601 -3.562 7.627 366 3HG2 VAL 45 3HG2 VAL 45 4.840 -2.634 6.335 367 H ASN 46 H ASN 46 1.896 -6.204 8.561 368 HA ASN 46 HA ASN 46 3.836 -6.237 10.751 369 1HB ASN 46 2HB ASN 46 2.992 -3.975 10.960 370 2HB ASN 46 1HB ASN 46 1.328 -4.536 10.822 371 1HD2 ASN 46 1HD2 ASN 46 1.518 -3.161 13.036 372 2HD2 ASN 46 2HD2 ASN 46 1.755 -4.112 14.420 373 H ILE 47 H ILE 47 2.832 -8.447 9.602 374 HA ILE 47 HA ILE 47 1.554 -10.400 9.995 375 HB ILE 47 HB ILE 47 2.227 -9.070 12.587 376 1HG1 ILE 47 2HG1 ILE 47 3.123 -11.606 12.748 377 2HG1 ILE 47 1HG1 ILE 47 3.012 -11.458 10.993 378 1HG2 ILE 47 1HG2 ILE 47 0.281 -9.916 13.470 379 2HG2 ILE 47 2HG2 ILE 47 1.279 -11.367 13.576 380 3HG2 ILE 47 3HG2 ILE 47 0.142 -11.173 12.241 381 1HD1 ILE 47 1HD1 ILE 47 4.342 -9.319 12.651 382 2HD1 ILE 47 2HD1 ILE 47 4.529 -9.650 10.929 383 3HD1 ILE 47 3HD1 ILE 47 5.234 -10.744 12.119 384 H THR 48 H THR 48 -0.399 -9.865 8.869 385 HA THR 48 HA THR 48 -2.566 -8.626 10.530 386 HB THR 48 HB THR 48 -2.004 -7.358 8.540 387 HG1 THR 48 1HG THR 48 -4.241 -7.679 8.976 388 1HG2 THR 48 1HG2 THR 48 -2.453 -8.744 6.299 389 2HG2 THR 48 2HG2 THR 48 -1.937 -10.082 7.325 390 3HG2 THR 48 3HG2 THR 48 -0.862 -8.709 7.062 391 H SER 49 H SER 49 -4.296 -9.732 8.144 392 HA SER 49 HA SER 49 -5.385 -11.994 9.493 393 1HB SER 49 2HB SER 49 -6.138 -10.369 7.488 394 2HB SER 49 1HB SER 49 -5.581 -11.735 6.525 395 HG SER 49 HG SER 49 -7.890 -11.563 7.532 396 H GLN 50 H GLN 50 -3.240 -13.138 9.917 397 HA GLN 50 HA GLN 50 -2.772 -15.153 7.783 398 1HB GLN 50 2HB GLN 50 -1.230 -13.016 7.720 399 2HB GLN 50 1HB GLN 50 -0.425 -13.793 9.083 400 1HG GLN 50 2HG GLN 50 -0.685 -15.884 7.319 401 2HG GLN 50 1HG GLN 50 -0.406 -14.524 6.231 402 1HE2 GLN 50 1HE2 GLN 50 1.104 -16.638 8.553 403 2HE2 GLN 50 2HE2 GLN 50 2.642 -15.922 8.508 404 H VAL 51 H VAL 51 -4.099 -15.620 10.175 405 HA VAL 51 HA VAL 51 -2.048 -17.078 11.811 406 HB VAL 51 HB VAL 51 -4.707 -15.979 12.757 407 1HG1 VAL 51 1HG1 VAL 51 -2.144 -16.704 14.209 408 2HG1 VAL 51 2HG1 VAL 51 -3.591 -17.710 14.143 409 3HG1 VAL 51 3HG1 VAL 51 -3.639 -16.148 14.961 410 1HG2 VAL 51 1HG2 VAL 51 -3.773 -13.938 12.325 411 2HG2 VAL 51 2HG2 VAL 51 -2.144 -14.602 12.194 412 3HG2 VAL 51 3HG2 VAL 51 -2.839 -14.273 13.782 413 H GLN 52 H GLN 52 -2.946 -19.076 12.856 414 HA GLN 52 HA GLN 52 -5.053 -20.328 11.133 415 1HB GLN 52 2HB GLN 52 -3.832 -22.450 11.850 416 2HB GLN 52 1HB GLN 52 -2.909 -21.353 10.821 417 1HG GLN 52 2HG GLN 52 -1.668 -20.503 12.661 418 2HG GLN 52 1HG GLN 52 -2.775 -21.218 13.834 419 1HE2 GLN 52 1HE2 GLN 52 0.154 -21.746 12.133 420 2HE2 GLN 52 2HE2 GLN 52 0.333 -23.397 12.488 421 H THR 53 H THR 53 -6.198 -18.946 13.138 422 HA THR 53 HA THR 53 -6.444 -20.683 15.533 423 HB THR 53 HB THR 53 -8.184 -18.491 15.709 424 HG1 THR 53 1HG THR 53 -5.811 -17.364 14.867 425 1HG2 THR 53 1HG2 THR 53 -5.365 -18.145 16.590 426 2HG2 THR 53 2HG2 THR 53 -6.215 -19.569 17.194 427 3HG2 THR 53 3HG2 THR 53 -6.862 -17.957 17.503 428 H GLU 54 H GLU 54 -7.437 -22.038 13.360 429 HA GLU 54 HA GLU 54 -9.386 -23.185 12.665 430 1HB GLU 54 2HB GLU 54 -9.629 -23.055 15.222 431 2HB GLU 54 1HB GLU 54 -10.730 -21.706 14.936 432 1HG GLU 54 2HG GLU 54 -11.902 -23.346 13.269 433 2HG GLU 54 1HG GLU 54 -11.054 -24.598 14.176 434 H ARG 55 H ARG 55 -9.435 -21.814 10.714 435 HA ARG 55 HA ARG 55 -10.521 -20.346 9.213 436 1HB ARG 55 2HB ARG 55 -12.691 -20.703 11.308 437 2HB ARG 55 1HB ARG 55 -12.946 -20.157 9.650 438 1HG ARG 55 2HG ARG 55 -12.050 -22.298 8.805 439 2HG ARG 55 1HG ARG 55 -11.804 -22.847 10.463 440 1HD ARG 55 2HD ARG 55 -14.529 -21.937 9.514 441 2HD ARG 55 1HD ARG 55 -13.985 -23.614 9.308 442 HE ARG 55 HE ARG 55 -13.434 -23.415 11.867 443 1HH1 ARG 55 1HH1 ARG 55 -16.368 -23.464 10.417 444 2HH1 ARG 55 2HH1 ARG 55 -17.251 -22.686 11.688 445 1HH2 ARG 55 1HH2 ARG 55 -14.412 -21.717 13.426 446 2HH2 ARG 55 2HH2 ARG 55 -16.143 -21.696 13.391 447 H ASN 56 H ASN 56 -11.926 -18.140 9.327 448 HA ASN 56 HA ASN 56 -11.197 -16.476 11.668 449 1HB ASN 56 2HB ASN 56 -10.048 -14.863 10.064 450 2HB ASN 56 1HB ASN 56 -9.190 -16.380 10.340 451 1HD2 ASN 56 1HD2 ASN 56 -11.310 -14.697 8.002 452 2HD2 ASN 56 2HD2 ASN 56 -10.871 -15.654 6.670 453 H ILE 57 H ILE 57 -13.762 -16.970 11.170 454 HA ILE 57 HA ILE 57 -14.745 -14.536 9.717 455 HB ILE 57 HB ILE 57 -16.052 -17.272 9.825 456 1HG1 ILE 57 2HG1 ILE 57 -15.187 -16.680 7.206 457 2HG1 ILE 57 1HG1 ILE 57 -13.815 -16.309 8.251 458 1HG2 ILE 57 1HG2 ILE 57 -16.762 -15.647 7.571 459 2HG2 ILE 57 2HG2 ILE 57 -16.959 -14.687 9.037 460 3HG2 ILE 57 3HG2 ILE 57 -17.803 -16.227 8.872 461 1HD1 ILE 57 1HD1 ILE 57 -13.606 -18.626 7.710 462 2HD1 ILE 57 2HD1 ILE 57 -15.315 -18.925 8.022 463 3HD1 ILE 57 3HD1 ILE 57 -14.221 -18.573 9.361 464 H ASN 58 H ASN 58 -16.141 -17.129 11.765 465 HA ASN 58 HA ASN 58 -17.683 -16.925 13.563 466 1HB ASN 58 2HB ASN 58 -15.271 -16.356 14.325 467 2HB ASN 58 1HB ASN 58 -15.822 -14.680 14.353 468 1HD2 ASN 58 1HD2 ASN 58 -16.454 -14.090 16.424 469 2HD2 ASN 58 2HD2 ASN 58 -17.247 -15.103 17.531 470 H ARG 59 H ARG 59 -19.475 -16.014 12.290 471 HA ARG 59 HA ARG 59 -19.753 -13.137 11.935 472 1HB ARG 59 2HB ARG 59 -20.844 -15.435 10.884 473 2HB ARG 59 1HB ARG 59 -22.157 -14.846 11.904 474 1HG ARG 59 2HG ARG 59 -21.809 -12.567 10.817 475 2HG ARG 59 1HG ARG 59 -20.766 -13.381 9.652 476 1HD ARG 59 2HD ARG 59 -23.319 -14.777 10.027 477 2HD ARG 59 1HD ARG 59 -23.515 -13.126 9.403 478 HE ARG 59 HE ARG 59 -21.344 -14.572 8.100 479 1HH1 ARG 59 1HH2 ARG 59 -23.900 -16.222 7.823 480 2HH1 ARG 59 2HH2 ARG 59 -24.525 -15.616 6.325 481 1HH2 ARG 59 1HH1 ARG 59 -22.501 -12.801 6.316 482 2HH2 ARG 59 2HH1 ARG 59 -23.732 -13.679 5.473 483 H ALA 60 H ALA 60 -20.129 -11.816 13.682 484 HA ALA 60 HA ALA 60 -22.264 -12.569 15.603 485 1HB ALA 60 1HB ALA 60 -19.414 -11.871 16.387 486 2HB ALA 60 2HB ALA 60 -20.121 -13.486 16.461 487 3HB ALA 60 3HB ALA 60 -20.736 -12.205 17.505 488 1H MET 1 1HT MET 1 34.522 -21.024 -5.331 489 2H MET 1 2HT MET 1 34.458 -22.614 -4.734 490 3H MET 1 3HT MET 1 34.020 -21.311 -3.736 491 HA MET 1 HA MET 1 32.031 -22.437 -4.510 492 1HB MET 1 2HB MET 1 32.179 -19.966 -4.135 493 2HB MET 1 1HB MET 1 32.549 -19.761 -5.847 494 1HG MET 1 2HG MET 1 30.134 -19.403 -5.363 495 2HG MET 1 1HG MET 1 30.400 -20.755 -6.463 496 1HE MET 1 1HE MET 1 27.366 -21.223 -3.760 497 2HE MET 1 2HE MET 1 27.651 -21.061 -5.490 498 3HE MET 1 3HE MET 1 28.071 -19.736 -4.409 499 H GLY 2 H GLY 2 34.522 -22.210 -6.801 500 1HA GLY 2 2HA GLY 2 33.110 -23.892 -8.686 501 2HA GLY 2 1HA GLY 2 33.282 -22.247 -9.302 502 HA PRO 3 HA PRO 3 37.765 -23.829 -8.766 503 1HB PRO 3 2HB PRO 3 38.112 -26.410 -7.942 504 2HB PRO 3 1HB PRO 3 37.964 -25.059 -6.800 505 1HG PRO 3 2HG PRO 3 35.926 -27.058 -7.645 506 2HG PRO 3 1HG PRO 3 36.227 -26.359 -6.043 507 1HD PRO 3 2HD PRO 3 34.204 -25.553 -7.691 508 2HD PRO 3 1HD PRO 3 34.963 -24.500 -6.475 509 H LEU 4 H LEU 4 35.484 -26.426 -9.558 510 HA LEU 4 HA LEU 4 36.587 -26.610 -12.315 511 1HB LEU 4 2HB LEU 4 37.444 -28.251 -10.273 512 2HB LEU 4 1HB LEU 4 36.115 -29.185 -10.948 513 HG LEU 4 HG LEU 4 38.131 -29.808 -12.135 514 1HD1 LEU 4 1HD1 LEU 4 35.969 -29.416 -13.420 515 2HD1 LEU 4 2HD1 LEU 4 37.443 -29.353 -14.389 516 3HD1 LEU 4 3HD1 LEU 4 36.639 -27.858 -13.908 517 1HD2 LEU 4 1HD2 LEU 4 39.569 -28.193 -13.211 518 2HD2 LEU 4 2HD2 LEU 4 39.346 -27.666 -11.543 519 3HD2 LEU 4 3HD2 LEU 4 38.453 -26.877 -12.842 520 H GLN 5 H GLN 5 34.201 -25.496 -12.091 521 HA GLN 5 HA GLN 5 31.856 -25.753 -12.392 522 1HB GLN 5 2HB GLN 5 33.315 -27.121 -14.281 523 2HB GLN 5 1HB GLN 5 32.280 -28.401 -13.649 524 1HG GLN 5 2HG GLN 5 30.291 -27.199 -14.188 525 2HG GLN 5 1HG GLN 5 31.187 -25.708 -14.481 526 1HE2 GLN 5 1HE2 GLN 5 29.622 -28.096 -16.140 527 2HE2 GLN 5 2HE2 GLN 5 30.524 -28.093 -17.578 528 H TYR 6 H TYR 6 33.226 -26.945 -10.017 529 HA TYR 6 HA TYR 6 32.636 -29.385 -9.058 530 1HB TYR 6 2HB TYR 6 33.450 -27.317 -7.839 531 2HB TYR 6 1HB TYR 6 31.761 -26.853 -7.639 532 HD1 TYR 6 1HD TYR 6 30.184 -28.740 -6.662 533 HD2 TYR 6 2HD TYR 6 34.453 -28.641 -6.195 534 HE1 TYR 6 1HE TYR 6 30.002 -30.238 -4.697 535 HE2 TYR 6 2HE TYR 6 34.271 -30.137 -4.226 536 HH TYR 6 HH TYR 6 31.818 -31.999 -3.555 537 H LYS 7 H LYS 7 30.803 -30.484 -8.141 538 HA LYS 7 HA LYS 7 28.402 -30.553 -9.513 539 1HB LYS 7 2HB LYS 7 29.154 -31.086 -6.642 540 2HB LYS 7 1HB LYS 7 27.525 -31.421 -7.233 541 1HG LYS 7 2HG LYS 7 29.195 -32.508 -9.188 542 2HG LYS 7 1HG LYS 7 29.986 -32.920 -7.667 543 1HD LYS 7 2HD LYS 7 27.035 -33.366 -8.164 544 2HD LYS 7 1HD LYS 7 28.258 -34.602 -8.458 545 1HE LYS 7 2HE LYS 7 28.899 -34.645 -6.136 546 2HE LYS 7 1HE LYS 7 27.926 -33.203 -5.785 547 1HZ LYS 7 1HZ LYS 7 26.570 -35.012 -5.195 548 2HZ LYS 7 2HZ LYS 7 26.977 -35.890 -6.592 549 3HZ LYS 7 3HZ LYS 7 25.991 -34.513 -6.709 550 H ASP 8 H ASP 8 26.275 -29.675 -9.082 551 HA ASP 8 HA ASP 8 25.966 -27.475 -7.152 552 1HB ASP 8 2HB ASP 8 25.694 -25.753 -8.812 553 2HB ASP 8 1HB ASP 8 27.193 -26.592 -9.209 554 H LEU 9 H LEU 9 23.917 -27.835 -6.391 555 HA LEU 9 HA LEU 9 21.734 -28.384 -8.339 556 1HB LEU 9 2HB LEU 9 21.026 -30.301 -6.855 557 2HB LEU 9 1HB LEU 9 22.560 -30.568 -7.683 558 HG LEU 9 HG LEU 9 22.849 -29.207 -5.094 559 1HD1 LEU 9 1HD1 LEU 9 21.254 -31.680 -5.326 560 2HD1 LEU 9 2HD1 LEU 9 21.358 -30.528 -3.995 561 3HD1 LEU 9 3HD1 LEU 9 22.588 -31.777 -4.177 562 1HD2 LEU 9 1HD2 LEU 9 24.712 -30.707 -4.893 563 2HD2 LEU 9 2HD2 LEU 9 24.652 -30.220 -6.585 564 3HD2 LEU 9 3HD2 LEU 9 24.043 -31.803 -6.103 565 H LYS 10 H LYS 10 21.931 -25.959 -7.135 566 HA LYS 10 HA LYS 10 19.530 -25.783 -5.540 567 1HB LYS 10 2HB LYS 10 20.671 -25.142 -3.423 568 2HB LYS 10 1HB LYS 10 21.053 -26.796 -3.905 569 1HG LYS 10 2HG LYS 10 23.108 -25.808 -5.083 570 2HG LYS 10 1HG LYS 10 22.783 -24.336 -4.168 571 1HD LYS 10 2HD LYS 10 23.813 -25.229 -2.381 572 2HD LYS 10 1HD LYS 10 22.619 -26.527 -2.352 573 1HE LYS 10 2HE LYS 10 24.001 -28.010 -3.466 574 2HE LYS 10 1HE LYS 10 24.824 -26.722 -4.368 575 1HZ LYS 10 1HZ LYS 10 26.132 -27.743 -2.483 576 2HZ LYS 10 2HZ LYS 10 25.034 -26.994 -1.424 577 3HZ LYS 10 3HZ LYS 10 25.998 -26.052 -2.458 578 H ILE 11 H ILE 11 20.740 -24.453 -7.862 579 HA ILE 11 HA ILE 11 20.993 -21.668 -6.776 580 HB ILE 11 HB ILE 11 22.707 -21.279 -8.291 581 1HG1 ILE 11 2HG1 ILE 11 22.823 -22.950 -10.392 582 2HG1 ILE 11 1HG1 ILE 11 21.092 -23.059 -10.063 583 1HG2 ILE 11 1HG2 ILE 11 23.448 -23.177 -6.928 584 2HG2 ILE 11 2HG2 ILE 11 24.116 -23.295 -8.557 585 3HG2 ILE 11 3HG2 ILE 11 22.742 -24.299 -8.092 586 1HD1 ILE 11 1HD1 ILE 11 21.961 -20.308 -9.901 587 2HD1 ILE 11 2HD1 ILE 11 20.739 -21.023 -10.952 588 3HD1 ILE 11 3HD1 ILE 11 22.430 -21.002 -11.453 589 H ASP 12 H ASP 12 18.850 -23.664 -8.186 590 HA ASP 12 HA ASP 12 17.949 -22.118 -10.443 591 1HB ASP 12 2HB ASP 12 16.442 -24.119 -8.734 592 2HB ASP 12 1HB ASP 12 16.131 -23.722 -10.425 593 H ILE 13 H ILE 13 15.206 -22.738 -8.595 594 HA ILE 13 HA ILE 13 13.652 -21.327 -7.531 595 HB ILE 13 HB ILE 13 16.352 -20.282 -6.668 596 1HG1 ILE 13 2HG1 ILE 13 14.141 -21.579 -5.059 597 2HG1 ILE 13 1HG1 ILE 13 15.367 -22.523 -5.906 598 1HG2 ILE 13 1HG2 ILE 13 15.119 -18.941 -4.952 599 2HG2 ILE 13 2HG2 ILE 13 13.615 -19.306 -5.798 600 3HG2 ILE 13 3HG2 ILE 13 14.865 -18.353 -6.596 601 1HD1 ILE 13 1HD1 ILE 13 15.725 -21.774 -3.378 602 2HD1 ILE 13 2HD1 ILE 13 16.283 -20.286 -4.143 603 3HD1 ILE 13 3HD1 ILE 13 17.075 -21.819 -4.512 604 H LYS 14 H LYS 14 12.528 -19.362 -7.950 605 HA LYS 14 HA LYS 14 13.180 -18.044 -10.455 606 1HB LYS 14 2HB LYS 14 11.067 -18.002 -8.355 607 2HB LYS 14 1HB LYS 14 11.188 -16.573 -9.382 608 1HG LYS 14 2HG LYS 14 11.362 -19.108 -10.862 609 2HG LYS 14 1HG LYS 14 9.819 -18.868 -10.043 610 1HD LYS 14 2HD LYS 14 10.862 -16.480 -11.435 611 2HD LYS 14 1HD LYS 14 10.426 -17.821 -12.494 612 1HE LYS 14 2HE LYS 14 8.218 -17.416 -12.188 613 2HE LYS 14 1HE LYS 14 8.413 -17.442 -10.424 614 1HZ LYS 14 1HZ LYS 14 9.565 -15.186 -10.798 615 2HZ LYS 14 2HZ LYS 14 7.868 -15.243 -10.837 616 3HZ LYS 14 3HZ LYS 14 8.752 -15.177 -12.286 617 H THR 15 H THR 15 13.467 -15.676 -10.650 618 HA THR 15 HA THR 15 14.637 -14.342 -8.245 619 HB THR 15 HB THR 15 16.439 -13.560 -9.904 620 HG1 THR 15 1HG THR 15 16.726 -15.126 -11.600 621 1HG2 THR 15 1HG2 THR 15 16.929 -15.126 -8.114 622 2HG2 THR 15 2HG2 THR 15 17.720 -15.683 -9.589 623 3HG2 THR 15 3HG2 THR 15 16.232 -16.454 -9.042 624 H SER 16 H SER 16 13.236 -12.579 -8.047 625 HA SER 16 HA SER 16 11.791 -11.428 -10.226 626 1HB SER 16 2HB SER 16 12.501 -10.325 -7.492 627 2HB SER 16 1HB SER 16 11.227 -9.719 -8.529 628 HG SER 16 HG SER 16 10.526 -11.258 -6.944 629 HA PRO 17 HA PRO 17 12.603 -8.706 -7.986 630 1HB PRO 17 2HB PRO 17 13.991 -6.411 -7.808 631 2HB PRO 17 1HB PRO 17 14.679 -7.944 -7.286 632 1HG PRO 17 2HG PRO 17 15.494 -6.278 -9.451 633 2HG PRO 17 1HG PRO 17 16.194 -7.815 -8.932 634 1HD PRO 17 2HD PRO 17 14.184 -7.293 -11.038 635 2HD PRO 17 1HD PRO 17 15.413 -8.544 -10.921 636 HA PRO 18 HA PRO 18 11.356 -5.542 -11.375 637 1HB PRO 18 2HB PRO 18 9.156 -6.750 -12.506 638 2HB PRO 18 1HB PRO 18 10.828 -6.868 -13.121 639 1HG PRO 18 2HG PRO 18 9.327 -8.810 -11.435 640 2HG PRO 18 1HG PRO 18 10.358 -9.093 -12.840 641 1HD PRO 18 2HD PRO 18 11.272 -9.454 -10.342 642 2HD PRO 18 1HD PRO 18 12.316 -8.845 -11.642 643 HA PRO 19 HA PRO 19 7.416 -5.340 -8.697 644 1HB PRO 19 2HB PRO 19 7.339 -6.998 -6.516 645 2HB PRO 19 1HB PRO 19 6.589 -7.437 -8.065 646 1HG PRO 19 2HG PRO 19 9.197 -8.295 -6.914 647 2HG PRO 19 1HG PRO 19 8.002 -9.230 -7.827 648 1HD PRO 19 2HD PRO 19 10.283 -8.262 -8.924 649 2HD PRO 19 1HD PRO 19 8.793 -8.520 -9.844 650 H GLU 20 H GLU 20 9.226 -3.692 -8.506 651 HA GLU 20 HA GLU 20 11.287 -3.665 -6.589 652 1HB GLU 20 2HB GLU 20 10.882 -1.104 -6.803 653 2HB GLU 20 1HB GLU 20 11.305 -2.014 -8.250 654 1HG GLU 20 2HG GLU 20 9.268 -1.661 -9.202 655 2HG GLU 20 1HG GLU 20 8.413 -1.921 -7.681 656 H CYS 21 H CYS 21 9.378 -4.769 -4.940 657 HA CYS 21 HA CYS 21 8.172 -2.622 -3.335 658 1HB CYS 21 2HB CYS 21 7.988 -4.928 -1.789 659 2HB CYS 21 1HB CYS 21 6.755 -4.309 -2.870 660 HG CYS 21 HG CYS 21 7.062 -6.329 -4.249 661 H ILE 22 H ILE 22 11.060 -4.627 -3.248 662 HA ILE 22 HA ILE 22 11.832 -3.793 -0.532 663 HB ILE 22 HB ILE 22 13.442 -4.987 -2.814 664 1HG1 ILE 22 2HG1 ILE 22 12.327 -6.879 -2.472 665 2HG1 ILE 22 1HG1 ILE 22 13.024 -6.957 -0.866 666 1HG2 ILE 22 1HG2 ILE 22 15.119 -4.449 -1.402 667 2HG2 ILE 22 2HG2 ILE 22 14.570 -5.863 -0.501 668 3HG2 ILE 22 3HG2 ILE 22 14.032 -4.255 -0.026 669 1HD1 ILE 22 1HD1 ILE 22 11.035 -5.394 -0.191 670 2HD1 ILE 22 2HD1 ILE 22 10.721 -7.109 -0.423 671 3HD1 ILE 22 3HD1 ILE 22 10.301 -5.958 -1.691 672 H ASN 23 H ASN 23 13.177 -3.199 -3.791 673 HA ASN 23 HA ASN 23 14.949 -1.128 -2.907 674 1HB ASN 23 2HB ASN 23 15.159 -0.615 -5.258 675 2HB ASN 23 1HB ASN 23 15.055 -2.366 -5.079 676 1HD2 ASN 23 1HD2 ASN 23 14.189 -0.330 -7.293 677 2HD2 ASN 23 2HD2 ASN 23 12.605 -0.813 -7.655 678 H ASP 24 H ASP 24 11.693 -0.813 -4.459 679 HA ASP 24 HA ASP 24 11.505 2.007 -4.232 680 1HB ASP 24 2HB ASP 24 9.954 0.308 -5.377 681 2HB ASP 24 1HB ASP 24 9.269 0.010 -3.779 682 H LEU 25 H LEU 25 11.437 -0.548 -1.921 683 HA LEU 25 HA LEU 25 10.209 0.992 0.208 684 1HB LEU 25 2HB LEU 25 9.838 -1.248 0.487 685 2HB LEU 25 1HB LEU 25 11.337 -1.709 -0.257 686 HG LEU 25 HG LEU 25 12.167 -0.390 2.061 687 1HD1 LEU 25 1HD1 LEU 25 10.795 -0.732 3.776 688 2HD1 LEU 25 2HD1 LEU 25 10.269 -2.305 3.170 689 3HD1 LEU 25 3HD1 LEU 25 9.545 -0.827 2.537 690 1HD2 LEU 25 1HD2 LEU 25 12.750 -2.650 2.847 691 2HD2 LEU 25 2HD2 LEU 25 13.162 -2.409 1.151 692 3HD2 LEU 25 3HD2 LEU 25 11.724 -3.338 1.586 693 H LEU 26 H LEU 26 13.221 -0.669 -0.166 694 HA LEU 26 HA LEU 26 14.541 0.684 1.903 695 1HB LEU 26 2HB LEU 26 15.111 -1.529 1.369 696 2HB LEU 26 1HB LEU 26 15.228 -1.165 -0.342 697 HG LEU 26 HG LEU 26 17.152 0.276 0.111 698 1HD1 LEU 26 1HD1 LEU 26 17.968 -0.644 2.597 699 2HD1 LEU 26 2HD1 LEU 26 16.263 -0.289 2.823 700 3HD1 LEU 26 3HD1 LEU 26 17.362 0.969 2.252 701 1HD2 LEU 26 1HD2 LEU 26 17.937 -2.279 1.389 702 2HD2 LEU 26 2HD2 LEU 26 18.579 -1.512 -0.062 703 3HD2 LEU 26 3HD2 LEU 26 17.078 -2.435 -0.139 704 H GLN 27 H GLN 27 13.742 1.862 -1.116 705 HA GLN 27 HA GLN 27 16.165 3.204 -1.879 706 1HB GLN 27 2HB GLN 27 13.200 3.452 -2.384 707 2HB GLN 27 1HB GLN 27 14.317 4.638 -3.034 708 1HG GLN 27 2HG GLN 27 15.172 1.867 -3.450 709 2HG GLN 27 1HG GLN 27 13.658 2.268 -4.254 710 1HE2 GLN 27 1HE2 GLN 27 16.319 1.757 -5.452 711 2HE2 GLN 27 2HE2 GLN 27 16.701 3.149 -6.346 712 H ALA 28 H ALA 28 14.015 3.472 0.764 713 HA ALA 28 HA ALA 28 14.768 6.316 1.209 714 1HB ALA 28 1HB ALA 28 12.304 5.301 0.759 715 2HB ALA 28 2HB ALA 28 12.588 6.737 1.743 716 3HB ALA 28 3HB ALA 28 12.372 5.165 2.518 717 H VAL 29 H VAL 29 14.828 3.044 2.707 718 HA VAL 29 HA VAL 29 15.412 4.446 5.287 719 HB VAL 29 HB VAL 29 13.791 2.870 5.755 720 1HG1 VAL 29 1HG1 VAL 29 13.716 0.618 4.655 721 2HG1 VAL 29 2HG1 VAL 29 15.042 1.142 3.621 722 3HG1 VAL 29 3HG1 VAL 29 13.486 1.974 3.556 723 1HG2 VAL 29 1HG2 VAL 29 14.797 0.906 6.799 724 2HG2 VAL 29 2HG2 VAL 29 15.816 2.316 7.097 725 3HG2 VAL 29 3HG2 VAL 29 16.277 1.139 5.867 726 H ASP 30 H ASP 30 17.202 3.769 2.776 727 HA ASP 30 HA ASP 30 19.495 3.151 2.529 728 1HB ASP 30 2HB ASP 30 18.989 4.553 5.106 729 2HB ASP 30 1HB ASP 30 20.588 3.882 4.870 730 H SER 31 H SER 31 19.240 0.754 2.506 731 HA SER 31 HA SER 31 20.368 -0.427 4.943 732 1HB SER 31 2HB SER 31 17.760 0.277 4.887 733 2HB SER 31 1HB SER 31 17.613 -1.341 4.266 734 HG SER 31 HG SER 31 18.669 -0.398 6.708 735 H GLN 32 H GLN 32 21.687 -0.764 2.810 736 HA GLN 32 HA GLN 32 21.018 -2.460 0.706 737 1HB GLN 32 2HB GLN 32 23.255 -1.261 1.740 738 2HB GLN 32 1HB GLN 32 23.620 -2.963 2.012 739 1HG GLN 32 2HG GLN 32 22.494 -2.713 -0.602 740 2HG GLN 32 1HG GLN 32 23.766 -1.503 -0.438 741 1HE2 GLN 32 1HE2 GLN 32 23.122 -4.879 -0.819 742 2HE2 GLN 32 2HE2 GLN 32 24.728 -5.407 -0.724 743 H GLU 33 H GLU 33 21.355 -3.284 4.096 744 HA GLU 33 HA GLU 33 21.841 -6.102 3.795 745 1HB GLU 33 2HB GLU 33 20.196 -4.684 5.912 746 2HB GLU 33 1HB GLU 33 21.090 -6.193 6.089 747 1HG GLU 33 2HG GLU 33 22.773 -3.993 5.144 748 2HG GLU 33 1HG GLU 33 22.062 -3.678 6.728 749 H VAL 34 H VAL 34 19.033 -4.056 3.515 750 HA VAL 34 HA VAL 34 17.091 -6.233 3.493 751 HB VAL 34 HB VAL 34 17.238 -3.285 3.381 752 1HG1 VAL 34 1HG1 VAL 34 14.875 -3.164 2.393 753 2HG1 VAL 34 2HG1 VAL 34 15.175 -4.778 1.749 754 3HG1 VAL 34 3HG1 VAL 34 16.192 -3.426 1.249 755 1HG2 VAL 34 1HG2 VAL 34 16.393 -4.926 5.219 756 2HG2 VAL 34 2HG2 VAL 34 14.906 -4.973 4.273 757 3HG2 VAL 34 3HG2 VAL 34 15.488 -3.445 4.933 758 H ARG 35 H ARG 35 18.736 -4.197 1.070 759 HA ARG 35 HA ARG 35 17.443 -5.514 -1.206 760 1HB ARG 35 2HB ARG 35 19.131 -3.293 -0.576 761 2HB ARG 35 1HB ARG 35 19.895 -4.243 -1.848 762 1HG ARG 35 2HG ARG 35 17.312 -4.194 -2.718 763 2HG ARG 35 1HG ARG 35 17.436 -2.614 -1.937 764 1HD ARG 35 2HD ARG 35 19.373 -2.032 -3.266 765 2HD ARG 35 1HD ARG 35 19.444 -3.672 -3.936 766 HE ARG 35 HE ARG 35 17.275 -3.223 -5.052 767 1HH1 ARG 35 1HH2 ARG 35 17.974 -0.632 -3.016 768 2HH1 ARG 35 2HH2 ARG 35 17.562 0.602 -4.158 769 1HH2 ARG 35 1HH1 ARG 35 17.146 -1.607 -6.797 770 2HH2 ARG 35 2HH1 ARG 35 17.094 0.051 -6.296 771 H ASP 36 H ASP 36 20.620 -5.563 0.408 772 HA ASP 36 HA ASP 36 21.907 -7.518 -1.200 773 1HB ASP 36 2HB ASP 36 22.786 -6.025 0.736 774 2HB ASP 36 1HB ASP 36 22.128 -7.251 1.812 775 H TYR 37 H TYR 37 19.452 -7.580 1.190 776 HA TYR 37 HA TYR 37 19.382 -10.432 1.686 777 1HB TYR 37 2HB TYR 37 18.619 -9.146 3.441 778 2HB TYR 37 1HB TYR 37 17.893 -7.938 2.389 779 HD1 TYR 37 1HD TYR 37 15.833 -8.470 1.134 780 HD2 TYR 37 2HD TYR 37 17.359 -11.048 4.198 781 HE1 TYR 37 1HE TYR 37 13.695 -9.672 1.156 782 HE2 TYR 37 2HE TYR 37 15.193 -12.257 4.252 783 HH TYR 37 HH TYR 37 13.068 -12.285 1.941 784 H CYS 38 H CYS 38 17.383 -8.016 0.047 785 HA CYS 38 HA CYS 38 15.455 -9.631 -1.154 786 1HB CYS 38 2HB CYS 38 15.764 -7.105 -1.036 787 2HB CYS 38 1HB CYS 38 16.880 -7.270 -2.369 788 HG CYS 38 HG CYS 38 14.980 -7.890 -3.932 789 H GLU 39 H GLU 39 18.627 -8.674 -2.523 790 HA GLU 39 HA GLU 39 18.374 -10.468 -4.806 791 1HB GLU 39 2HB GLU 39 20.822 -9.826 -5.016 792 2HB GLU 39 1HB GLU 39 19.740 -8.436 -4.884 793 1HG GLU 39 2HG GLU 39 20.829 -7.761 -3.039 794 2HG GLU 39 1HG GLU 39 20.393 -9.277 -2.242 795 H LYS 40 H LYS 40 18.985 -10.895 -1.479 796 HA LYS 40 HA LYS 40 20.737 -13.239 -1.835 797 1HB LYS 40 2HB LYS 40 21.006 -11.823 0.173 798 2HB LYS 40 1HB LYS 40 19.300 -12.038 0.568 799 1HG LYS 40 2HG LYS 40 19.578 -14.343 1.033 800 2HG LYS 40 1HG LYS 40 21.179 -14.379 0.298 801 1HD LYS 40 2HD LYS 40 22.169 -13.667 2.203 802 2HD LYS 40 1HD LYS 40 20.977 -12.383 2.416 803 1HE LYS 40 2HE LYS 40 19.615 -13.681 3.757 804 2HE LYS 40 1HE LYS 40 20.072 -15.187 2.936 805 1HZ LYS 40 1HZ LYS 40 21.799 -13.581 4.746 806 2HZ LYS 40 2HZ LYS 40 22.301 -14.963 3.893 807 3HZ LYS 40 3HZ LYS 40 21.114 -15.091 5.102 808 H LYS 41 H LYS 41 17.516 -12.195 -1.276 809 HA LYS 41 HA LYS 41 16.218 -14.659 -0.666 810 1HB LYS 41 2HB LYS 41 15.279 -12.162 -2.066 811 2HB LYS 41 1HB LYS 41 14.263 -13.324 -1.257 812 1HG LYS 41 2HG LYS 41 15.874 -11.142 -0.188 813 2HG LYS 41 1HG LYS 41 14.389 -11.841 0.426 814 1HD LYS 41 2HD LYS 41 16.953 -13.389 0.606 815 2HD LYS 41 1HD LYS 41 16.551 -12.183 1.765 816 1HE LYS 41 2HE LYS 41 14.577 -13.316 2.455 817 2HE LYS 41 1HE LYS 41 14.613 -14.348 1.022 818 1HZ LYS 41 1HZ LYS 41 15.520 -15.456 3.026 819 2HZ LYS 41 2HZ LYS 41 16.748 -14.282 3.089 820 3HZ LYS 41 3HZ LYS 41 16.648 -15.340 1.763 821 H GLY 42 H GLY 42 16.280 -12.583 -3.460 822 1HA GLY 42 2HA GLY 42 17.055 -13.788 -5.562 823 2HA GLY 42 1HA GLY 42 15.711 -14.861 -5.254 824 H TRP 43 H TRP 43 16.263 -11.355 -5.349 825 HA TRP 43 HA TRP 43 14.006 -11.122 -7.287 826 1HB TRP 43 2HB TRP 43 14.844 -8.808 -5.620 827 2HB TRP 43 1HB TRP 43 13.326 -9.095 -6.368 828 HD1 TRP 43 HD TRP 43 14.926 -11.645 -4.082 829 HE1 TRP 43 1HE TRP 43 13.572 -11.839 -2.041 830 HE3 TRP 43 3HE TRP 43 11.549 -7.889 -4.783 831 HZ2 TRP 43 2HZ TRP 43 11.488 -10.658 -0.659 832 HZ3 TRP 43 3HZ TRP 43 9.886 -7.436 -3.030 833 HH2 TRP 43 HH TRP 43 9.813 -8.815 -0.963 834 H ILE 44 H ILE 44 16.666 -9.802 -5.740 835 HA ILE 44 HA ILE 44 18.710 -9.149 -6.495 836 HB ILE 44 HB ILE 44 17.606 -9.132 -9.276 837 1HG1 ILE 44 2HG1 ILE 44 18.983 -11.554 -8.249 838 2HG1 ILE 44 1HG1 ILE 44 17.346 -11.319 -7.706 839 1HG2 ILE 44 1HG2 ILE 44 19.784 -8.377 -9.463 840 2HG2 ILE 44 2HG2 ILE 44 20.165 -10.097 -9.360 841 3HG2 ILE 44 3HG2 ILE 44 20.257 -9.084 -7.913 842 1HD1 ILE 44 1HD1 ILE 44 17.961 -12.510 -10.062 843 2HD1 ILE 44 2HD1 ILE 44 17.801 -10.835 -10.587 844 3HD1 ILE 44 3HD1 ILE 44 16.451 -11.638 -9.783 845 H VAL 45 H VAL 45 16.110 -7.584 -6.284 846 HA VAL 45 HA VAL 45 15.675 -5.353 -7.687 847 HB VAL 45 HB VAL 45 15.533 -4.185 -5.442 848 1HG1 VAL 45 1HG1 VAL 45 13.629 -5.405 -6.284 849 2HG1 VAL 45 2HG1 VAL 45 13.806 -5.775 -4.568 850 3HG1 VAL 45 3HG1 VAL 45 14.344 -6.936 -5.780 851 1HG2 VAL 45 1HG2 VAL 45 16.001 -5.526 -3.454 852 2HG2 VAL 45 2HG2 VAL 45 17.464 -5.359 -4.424 853 3HG2 VAL 45 3HG2 VAL 45 16.542 -6.861 -4.471 854 H ASN 46 H ASN 46 17.135 -4.145 -8.861 855 HA ASN 46 HA ASN 46 19.039 -2.415 -7.603 856 1HB ASN 46 2HB ASN 46 20.360 -4.295 -7.085 857 2HB ASN 46 1HB ASN 46 19.944 -5.118 -8.586 858 1HD2 ASN 46 1HD2 ASN 46 22.149 -5.378 -9.294 859 2HD2 ASN 46 2HD2 ASN 46 23.114 -4.058 -9.746 860 H ILE 47 H ILE 47 19.142 -0.757 -9.070 861 HA ILE 47 HA ILE 47 19.243 -1.439 -11.987 862 HB ILE 47 HB ILE 47 16.975 -0.784 -11.444 863 1HG1 ILE 47 2HG1 ILE 47 18.250 1.751 -12.474 864 2HG1 ILE 47 1HG1 ILE 47 18.228 0.280 -13.448 865 1HG2 ILE 47 1HG2 ILE 47 17.221 1.870 -10.513 866 2HG2 ILE 47 2HG2 ILE 47 18.344 0.915 -9.547 867 3HG2 ILE 47 3HG2 ILE 47 16.638 0.475 -9.607 868 1HD1 ILE 47 1HD1 ILE 47 16.273 1.947 -13.757 869 2HD1 ILE 47 2HD1 ILE 47 15.705 1.358 -12.194 870 3HD1 ILE 47 3HD1 ILE 47 15.869 0.243 -13.551 871 H THR 48 H THR 48 20.556 -0.023 -13.225 872 HA THR 48 HA THR 48 22.678 1.358 -11.838 873 HB THR 48 HB THR 48 21.733 1.352 -14.723 874 HG1 THR 48 1HG THR 48 23.307 -0.222 -14.941 875 1HG2 THR 48 1HG2 THR 48 23.693 2.441 -15.340 876 2HG2 THR 48 2HG2 THR 48 24.534 1.981 -13.859 877 3HG2 THR 48 3HG2 THR 48 23.315 3.255 -13.822 878 H SER 49 H SER 49 22.161 3.207 -10.695 879 HA SER 49 HA SER 49 21.477 5.636 -12.049 880 1HB SER 49 2HB SER 49 19.136 5.803 -11.014 881 2HB SER 49 1HB SER 49 19.305 4.676 -12.356 882 HG SER 49 HG SER 49 18.569 3.264 -10.987 883 H GLN 50 H GLN 50 21.461 7.444 -10.552 884 HA GLN 50 HA GLN 50 22.009 8.546 -8.531 885 1HB GLN 50 2HB GLN 50 20.025 7.003 -7.926 886 2HB GLN 50 1HB GLN 50 21.236 5.940 -7.206 887 1HG GLN 50 2HG GLN 50 20.830 7.227 -5.354 888 2HG GLN 50 1HG GLN 50 22.011 8.289 -6.124 889 1HE2 GLN 50 1HE2 GLN 50 18.495 7.659 -6.700 890 2HE2 GLN 50 2HE2 GLN 50 18.053 9.298 -6.669 891 H VAL 51 H VAL 51 22.878 6.398 -6.295 892 HA VAL 51 HA VAL 51 24.971 5.706 -5.458 893 HB VAL 51 HB VAL 51 24.976 5.043 -8.402 894 1HG1 VAL 51 1HG1 VAL 51 27.191 4.637 -8.296 895 2HG1 VAL 51 2HG1 VAL 51 26.855 3.407 -7.078 896 3HG1 VAL 51 3HG1 VAL 51 27.229 5.058 -6.584 897 1HG2 VAL 51 1HG2 VAL 51 25.068 2.746 -6.801 898 2HG2 VAL 51 2HG2 VAL 51 23.645 3.400 -7.612 899 3HG2 VAL 51 3HG2 VAL 51 23.989 3.845 -5.941 900 H GLN 52 H GLN 52 25.495 8.055 -5.059 901 HA GLN 52 HA GLN 52 26.852 9.986 -5.346 902 1HB GLN 52 2HB GLN 52 28.767 7.858 -6.341 903 2HB GLN 52 1HB GLN 52 29.161 9.325 -5.440 904 1HG GLN 52 2HG GLN 52 27.270 8.001 -3.851 905 2HG GLN 52 1HG GLN 52 28.340 6.725 -4.435 906 1HE2 GLN 52 1HE2 GLN 52 28.313 9.829 -2.665 907 2HE2 GLN 52 2HE2 GLN 52 29.821 9.602 -1.919 908 H THR 53 H THR 53 25.528 10.748 -7.232 909 HA THR 53 HA THR 53 26.385 10.111 -9.945 910 HB THR 53 HB THR 53 24.626 11.598 -10.543 911 HG1 THR 53 1HG THR 53 25.418 12.853 -8.202 912 1HG2 THR 53 1HG2 THR 53 24.069 9.572 -8.974 913 2HG2 THR 53 2HG2 THR 53 22.816 10.760 -9.330 914 3HG2 THR 53 3HG2 THR 53 23.685 10.826 -7.797 915 H GLU 54 H GLU 54 26.109 13.107 -10.610 916 HA GLU 54 HA GLU 54 28.459 14.402 -9.479 917 1HB GLU 54 2HB GLU 54 29.621 12.753 -10.783 918 2HB GLU 54 1HB GLU 54 28.562 13.015 -12.169 919 1HG GLU 54 2HG GLU 54 29.428 15.302 -12.422 920 2HG GLU 54 1HG GLU 54 30.467 15.072 -11.016 921 H ARG 55 H ARG 55 27.392 16.379 -9.408 922 HA ARG 55 HA ARG 55 25.455 17.441 -11.095 923 1HB ARG 55 2HB ARG 55 27.047 18.275 -8.992 924 2HB ARG 55 1HB ARG 55 27.533 19.362 -10.294 925 1HG ARG 55 2HG ARG 55 25.605 20.512 -10.135 926 2HG ARG 55 1HG ARG 55 24.657 19.032 -10.282 927 1HD ARG 55 2HD ARG 55 24.405 18.812 -8.005 928 2HD ARG 55 1HD ARG 55 26.010 19.488 -7.662 929 HE ARG 55 HE ARG 55 23.580 21.018 -7.788 930 1HH1 ARG 55 1HH2 ARG 55 26.939 21.166 -7.641 931 2HH1 ARG 55 2HH2 ARG 55 27.062 22.815 -8.158 932 1HH2 ARG 55 1HH1 ARG 55 23.698 23.095 -8.949 933 2HH2 ARG 55 2HH1 ARG 55 25.227 23.906 -8.899 934 H ASN 56 H ASN 56 28.922 17.178 -11.689 935 HA ASN 56 HA ASN 56 28.890 18.900 -14.059 936 1HB ASN 56 2HB ASN 56 30.949 16.870 -13.148 937 2HB ASN 56 1HB ASN 56 31.225 18.292 -14.152 938 1HD2 ASN 56 1HD2 ASN 56 30.863 17.171 -10.853 939 2HD2 ASN 56 2HD2 ASN 56 31.112 18.676 -10.109 940 H ILE 57 H ILE 57 30.579 17.150 -15.675 941 HA ILE 57 HA ILE 57 29.286 14.655 -16.278 942 HB ILE 57 HB ILE 57 27.405 16.055 -16.858 943 1HG1 ILE 57 2HG1 ILE 57 28.593 15.658 -19.571 944 2HG1 ILE 57 1HG1 ILE 57 28.437 14.237 -18.535 945 1HG2 ILE 57 1HG2 ILE 57 29.462 17.897 -17.576 946 2HG2 ILE 57 2HG2 ILE 57 27.722 18.182 -17.519 947 3HG2 ILE 57 3HG2 ILE 57 28.473 17.617 -19.010 948 1HD1 ILE 57 1HD1 ILE 57 26.075 16.037 -18.672 949 2HD1 ILE 57 2HD1 ILE 57 26.146 14.278 -18.589 950 3HD1 ILE 57 3HD1 ILE 57 26.434 15.100 -20.122 951 H ASN 58 H ASN 58 30.655 13.523 -17.617 952 HA ASN 58 HA ASN 58 32.962 14.977 -18.792 953 1HB ASN 58 2HB ASN 58 32.511 12.534 -17.467 954 2HB ASN 58 1HB ASN 58 32.895 12.093 -19.132 955 1HD2 ASN 58 1HD2 ASN 58 35.071 11.399 -18.819 956 2HD2 ASN 58 2HD2 ASN 58 36.302 12.427 -18.265 957 H ARG 59 H ARG 59 31.130 12.141 -19.959 958 HA ARG 59 HA ARG 59 30.324 11.631 -22.120 959 1HB ARG 59 2HB ARG 59 29.242 13.939 -21.340 960 2HB ARG 59 1HB ARG 59 30.197 14.568 -22.683 961 1HG ARG 59 2HG ARG 59 28.644 13.824 -24.127 962 2HG ARG 59 1HG ARG 59 28.939 12.173 -23.579 963 1HD ARG 59 2HD ARG 59 26.954 12.130 -22.486 964 2HD ARG 59 1HD ARG 59 27.346 13.634 -21.630 965 HE ARG 59 HE ARG 59 25.672 13.456 -23.967 966 1HH1 ARG 59 1HH2 ARG 59 27.718 15.419 -22.053 967 2HH1 ARG 59 2HH2 ARG 59 27.486 16.847 -23.005 968 1HH2 ARG 59 1HH1 ARG 59 25.558 15.248 -25.406 969 2HH2 ARG 59 2HH1 ARG 59 26.261 16.750 -24.905 970 H ALA 60 H ALA 60 32.646 10.954 -22.567 971 HA ALA 60 HA ALA 60 33.710 12.534 -24.859 972 1HB ALA 60 1HB ALA 60 34.742 13.106 -22.541 973 2HB ALA 60 2HB ALA 60 35.849 12.762 -23.871 974 3HB ALA 60 3HB ALA 60 35.514 11.524 -22.660 Start of MODEL 4 1 1H MET 1 1HT MET 1 -29.573 7.632 -0.097 2 2H MET 1 2HT MET 1 -29.966 8.751 -1.313 3 3H MET 1 3HT MET 1 -31.053 8.458 -0.041 4 HA MET 1 HA MET 1 -30.008 10.519 0.457 5 1HB MET 1 2HB MET 1 -30.367 8.918 2.283 6 2HB MET 1 1HB MET 1 -28.809 8.161 1.948 7 1HG MET 1 2HG MET 1 -27.844 9.635 3.344 8 2HG MET 1 1HG MET 1 -28.294 10.927 2.230 9 1HE MET 1 1HE MET 1 -29.440 12.972 4.823 10 2HE MET 1 2HE MET 1 -28.043 12.314 3.974 11 3HE MET 1 3HE MET 1 -28.389 11.796 5.623 12 H GLY 2 H GLY 2 -28.614 9.929 -1.912 13 1HA GLY 2 2HA GLY 2 -25.780 10.400 -1.073 14 2HA GLY 2 1HA GLY 2 -26.190 9.450 -2.502 15 HA PRO 3 HA PRO 3 -26.184 14.159 -3.320 16 1HB PRO 3 2HB PRO 3 -23.539 14.703 -3.723 17 2HB PRO 3 1HB PRO 3 -24.305 14.852 -2.129 18 1HG PRO 3 2HG PRO 3 -22.602 12.669 -3.216 19 2HG PRO 3 1HG PRO 3 -22.639 13.368 -1.587 20 1HD PRO 3 2HD PRO 3 -23.818 10.989 -2.245 21 2HD PRO 3 1HD PRO 3 -24.370 12.028 -0.913 22 H LEU 4 H LEU 4 -23.695 11.923 -4.542 23 HA LEU 4 HA LEU 4 -24.803 12.182 -7.299 24 1HB LEU 4 2HB LEU 4 -22.672 13.656 -6.363 25 2HB LEU 4 1HB LEU 4 -21.864 12.252 -7.053 26 HG LEU 4 HG LEU 4 -23.664 12.761 -9.016 27 1HD1 LEU 4 1HD1 LEU 4 -24.511 14.844 -8.933 28 2HD1 LEU 4 2HD1 LEU 4 -22.890 15.527 -8.792 29 3HD1 LEU 4 3HD1 LEU 4 -23.776 15.049 -7.343 30 1HD2 LEU 4 1HD2 LEU 4 -21.322 14.498 -9.277 31 2HD2 LEU 4 2HD2 LEU 4 -21.761 13.063 -10.204 32 3HD2 LEU 4 3HD2 LEU 4 -20.909 12.895 -8.668 33 H GLN 5 H GLN 5 -23.062 10.641 -8.674 34 HA GLN 5 HA GLN 5 -23.590 7.968 -8.014 35 1HB GLN 5 2HB GLN 5 -21.707 9.509 -9.685 36 2HB GLN 5 1HB GLN 5 -21.133 7.894 -9.268 37 1HG GLN 5 2HG GLN 5 -23.699 7.318 -9.913 38 2HG GLN 5 1HG GLN 5 -23.429 8.705 -10.966 39 1HE2 GLN 5 1HE2 GLN 5 -20.619 8.297 -11.483 40 2HE2 GLN 5 2HE2 GLN 5 -20.455 6.878 -12.398 41 H TYR 6 H TYR 6 -21.108 10.136 -6.799 42 HA TYR 6 HA TYR 6 -19.577 9.909 -5.026 43 1HB TYR 6 2HB TYR 6 -21.933 9.038 -4.186 44 2HB TYR 6 1HB TYR 6 -21.108 7.479 -4.158 45 HD1 TYR 6 1HD TYR 6 -19.110 7.136 -2.730 46 HD2 TYR 6 2HD TYR 6 -21.365 10.792 -2.620 47 HE1 TYR 6 1HE TYR 6 -18.015 7.748 -0.591 48 HE2 TYR 6 2HE TYR 6 -20.270 11.402 -0.479 49 HH TYR 6 HH TYR 6 -17.558 9.635 0.767 50 H LYS 7 H LYS 7 -17.639 8.770 -4.608 51 HA LYS 7 HA LYS 7 -17.228 5.987 -5.283 52 1HB LYS 7 2HB LYS 7 -17.338 7.782 -7.429 53 2HB LYS 7 1HB LYS 7 -15.613 7.519 -7.170 54 1HG LYS 7 2HG LYS 7 -15.928 5.096 -7.296 55 2HG LYS 7 1HG LYS 7 -17.672 5.311 -7.461 56 1HD LYS 7 2HD LYS 7 -17.359 5.397 -9.692 57 2HD LYS 7 1HD LYS 7 -16.562 6.950 -9.446 58 1HE LYS 7 2HE LYS 7 -14.771 4.732 -8.820 59 2HE LYS 7 1HE LYS 7 -15.360 4.656 -10.494 60 1HZ LYS 7 1HZ LYS 7 -13.611 6.144 -10.647 61 2HZ LYS 7 2HZ LYS 7 -13.930 6.850 -9.135 62 3HZ LYS 7 3HZ LYS 7 -14.940 7.181 -10.460 63 H ASP 8 H ASP 8 -15.943 5.770 -3.440 64 HA ASP 8 HA ASP 8 -14.082 6.067 -2.009 65 1HB ASP 8 2HB ASP 8 -13.137 6.657 -4.810 66 2HB ASP 8 1HB ASP 8 -12.012 6.752 -3.453 67 H LEU 9 H LEU 9 -12.043 7.977 -2.019 68 HA LEU 9 HA LEU 9 -13.585 10.505 -1.566 69 1HB LEU 9 2HB LEU 9 -10.933 9.571 -0.423 70 2HB LEU 9 1HB LEU 9 -11.880 10.956 0.120 71 HG LEU 9 HG LEU 9 -12.972 8.136 0.129 72 1HD1 LEU 9 1HD1 LEU 9 -11.315 7.842 1.706 73 2HD1 LEU 9 2HD1 LEU 9 -12.534 8.603 2.728 74 3HD1 LEU 9 3HD1 LEU 9 -11.209 9.565 2.070 75 1HD2 LEU 9 1HD2 LEU 9 -13.897 10.831 0.937 76 2HD2 LEU 9 2HD2 LEU 9 -14.217 9.548 2.104 77 3HD2 LEU 9 3HD2 LEU 9 -14.835 9.416 0.457 78 H LYS 10 H LYS 10 -10.772 11.739 -1.264 79 HA LYS 10 HA LYS 10 -10.026 11.889 -4.157 80 1HB LYS 10 2HB LYS 10 -9.951 14.378 -3.852 81 2HB LYS 10 1HB LYS 10 -11.573 13.712 -3.649 82 1HG LYS 10 2HG LYS 10 -11.338 13.756 -1.225 83 2HG LYS 10 1HG LYS 10 -9.663 14.289 -1.366 84 1HD LYS 10 2HD LYS 10 -11.343 16.046 -2.905 85 2HD LYS 10 1HD LYS 10 -11.988 15.910 -1.269 86 1HE LYS 10 2HE LYS 10 -10.162 16.943 -0.323 87 2HE LYS 10 1HE LYS 10 -9.033 16.238 -1.497 88 1HZ LYS 10 1HZ LYS 10 -9.795 18.757 -1.643 89 2HZ LYS 10 2HZ LYS 10 -11.073 18.059 -2.520 90 3HZ LYS 10 3HZ LYS 10 -9.468 17.836 -3.029 91 H ILE 11 H ILE 11 -8.782 10.675 -1.665 92 HA ILE 11 HA ILE 11 -6.261 12.286 -1.637 93 HB ILE 11 HB ILE 11 -6.154 11.971 0.634 94 1HG1 ILE 11 2HG1 ILE 11 -7.353 9.709 1.549 95 2HG1 ILE 11 1HG1 ILE 11 -6.901 9.173 -0.070 96 1HG2 ILE 11 1HG2 ILE 11 -8.609 12.604 -0.016 97 2HG2 ILE 11 2HG2 ILE 11 -8.246 12.148 1.650 98 3HG2 ILE 11 3HG2 ILE 11 -8.985 10.977 0.556 99 1HD1 ILE 11 1HD1 ILE 11 -5.177 8.898 1.874 100 2HD1 ILE 11 2HD1 ILE 11 -4.909 10.628 1.659 101 3HD1 ILE 11 3HD1 ILE 11 -4.612 9.517 0.322 102 H ASP 12 H ASP 12 -7.716 9.223 -2.115 103 HA ASP 12 HA ASP 12 -6.884 7.200 -2.975 104 1HB ASP 12 2HB ASP 12 -4.574 8.982 -3.793 105 2HB ASP 12 1HB ASP 12 -5.095 7.491 -4.568 106 H ILE 13 H ILE 13 -3.749 7.043 -3.147 107 HA ILE 13 HA ILE 13 -2.080 6.071 -1.784 108 HB ILE 13 HB ILE 13 -3.407 7.936 0.212 109 1HG1 ILE 13 2HG1 ILE 13 -1.216 8.419 -1.836 110 2HG1 ILE 13 1HG1 ILE 13 -2.838 9.112 -1.864 111 1HG2 ILE 13 1HG2 ILE 13 -1.216 7.982 1.290 112 2HG2 ILE 13 2HG2 ILE 13 -0.552 6.921 0.047 113 3HG2 ILE 13 3HG2 ILE 13 -1.769 6.312 1.168 114 1HD1 ILE 13 1HD1 ILE 13 -0.491 9.987 -0.377 115 2HD1 ILE 13 2HD1 ILE 13 -1.872 9.724 0.688 116 3HD1 ILE 13 3HD1 ILE 13 -2.007 10.839 -0.672 117 H LYS 14 H LYS 14 -3.287 3.972 -1.853 118 HA LYS 14 HA LYS 14 -5.100 3.325 0.357 119 1HB LYS 14 2HB LYS 14 -4.836 2.447 -2.158 120 2HB LYS 14 1HB LYS 14 -3.799 1.259 -1.368 121 1HG LYS 14 2HG LYS 14 -5.777 0.153 -1.056 122 2HG LYS 14 1HG LYS 14 -5.910 1.235 0.330 123 1HD LYS 14 2HD LYS 14 -7.980 1.268 -1.016 124 2HD LYS 14 1HD LYS 14 -7.185 2.842 -1.038 125 1HE LYS 14 2HE LYS 14 -6.693 2.702 -3.274 126 2HE LYS 14 1HE LYS 14 -6.369 0.958 -3.192 127 1HZ LYS 14 1HZ LYS 14 -8.558 1.825 -4.291 128 2HZ LYS 14 2HZ LYS 14 -9.094 1.931 -2.682 129 3HZ LYS 14 3HZ LYS 14 -8.584 0.439 -3.314 130 H THR 15 H THR 15 -4.587 1.384 1.764 131 HA THR 15 HA THR 15 -1.700 1.401 2.572 132 HB THR 15 HB THR 15 -2.824 0.824 4.834 133 HG1 THR 15 1HG THR 15 -4.908 0.853 4.839 134 1HG2 THR 15 1HG2 THR 15 -2.366 2.971 5.315 135 2HG2 THR 15 2HG2 THR 15 -3.671 3.545 4.276 136 3HG2 THR 15 3HG2 THR 15 -2.081 3.206 3.591 137 H SER 16 H SER 16 -0.823 -0.566 1.899 138 HA SER 16 HA SER 16 -2.378 -2.915 1.403 139 1HB SER 16 2HB SER 16 0.590 -2.526 1.888 140 2HB SER 16 1HB SER 16 -0.135 -3.945 1.161 141 HG SER 16 HG SER 16 -0.575 -1.333 0.188 142 HA PRO 17 HA PRO 17 0.841 -4.020 2.669 143 1HB PRO 17 2HB PRO 17 2.002 -5.335 4.707 144 2HB PRO 17 1HB PRO 17 1.866 -3.580 4.707 145 1HG PRO 17 2HG PRO 17 0.618 -5.462 6.446 146 2HG PRO 17 1HG PRO 17 0.476 -3.702 6.462 147 1HD PRO 17 2HD PRO 17 -1.297 -5.710 5.208 148 2HD PRO 17 1HD PRO 17 -1.665 -4.126 5.869 149 HA PRO 18 HA PRO 18 -0.916 -8.445 3.263 150 1HB PRO 18 2HB PRO 18 -2.545 -8.742 1.068 151 2HB PRO 18 1HB PRO 18 -3.082 -8.203 2.683 152 1HG PRO 18 2HG PRO 18 -2.465 -6.553 0.284 153 2HG PRO 18 1HG PRO 18 -3.801 -6.429 1.430 154 1HD PRO 18 2HD PRO 18 -1.649 -4.827 1.596 155 2HD PRO 18 1HD PRO 18 -2.530 -5.378 3.034 156 HA PRO 19 HA PRO 19 1.419 -9.173 -0.827 157 1HB PRO 19 2HB PRO 19 2.680 -7.003 -1.925 158 2HB PRO 19 1HB PRO 19 1.055 -7.510 -2.433 159 1HG PRO 19 2HG PRO 19 1.864 -5.310 -0.606 160 2HG PRO 19 1HG PRO 19 0.559 -5.365 -1.800 161 1HD PRO 19 2HD PRO 19 0.177 -5.665 0.879 162 2HD PRO 19 1HD PRO 19 -0.894 -6.346 -0.352 163 H GLU 20 H GLU 20 2.294 -9.677 1.436 164 HA GLU 20 HA GLU 20 4.132 -8.211 2.932 165 1HB GLU 20 2HB GLU 20 4.971 -10.601 3.506 166 2HB GLU 20 1HB GLU 20 3.289 -10.193 3.833 167 1HG GLU 20 2HG GLU 20 2.528 -11.683 2.298 168 2HG GLU 20 1HG GLU 20 3.732 -11.192 1.106 169 H CYS 21 H CYS 21 5.213 -7.400 0.528 170 HA CYS 21 HA CYS 21 7.512 -9.145 -0.064 171 1HB CYS 21 2HB CYS 21 8.057 -6.698 -1.283 172 2HB CYS 21 1HB CYS 21 7.339 -8.101 -2.048 173 HG CYS 21 HG CYS 21 5.446 -6.537 -2.460 174 H ILE 22 H ILE 22 6.831 -6.260 1.829 175 HA ILE 22 HA ILE 22 9.656 -5.702 2.411 176 HB ILE 22 HB ILE 22 7.126 -4.859 3.862 177 1HG1 ILE 22 2HG1 ILE 22 6.625 -3.603 2.097 178 2HG1 ILE 22 1HG1 ILE 22 8.085 -2.679 2.384 179 1HG2 ILE 22 1HG2 ILE 22 8.779 -4.221 5.299 180 2HG2 ILE 22 2HG2 ILE 22 8.827 -2.832 4.212 181 3HG2 ILE 22 3HG2 ILE 22 10.000 -4.132 4.028 182 1HD1 ILE 22 1HD1 ILE 22 9.244 -4.597 1.004 183 2HD1 ILE 22 2HD1 ILE 22 8.368 -3.330 0.154 184 3HD1 ILE 22 3HD1 ILE 22 7.612 -4.901 0.411 185 H ASN 23 H ASN 23 6.908 -6.832 4.403 186 HA ASN 23 HA ASN 23 8.542 -7.553 6.638 187 1HB ASN 23 2HB ASN 23 6.591 -8.751 7.385 188 2HB ASN 23 1HB ASN 23 6.040 -7.286 6.577 189 1HD2 ASN 23 1HD2 ASN 23 5.111 -10.367 6.871 190 2HD2 ASN 23 2HD2 ASN 23 4.529 -10.682 5.309 191 H ASP 24 H ASP 24 7.303 -9.630 3.951 192 HA ASP 24 HA ASP 24 8.604 -12.027 4.739 193 1HB ASP 24 2HB ASP 24 6.934 -11.645 2.864 194 2HB ASP 24 1HB ASP 24 8.249 -10.927 1.932 195 H LEU 25 H LEU 25 9.742 -9.020 3.506 196 HA LEU 25 HA LEU 25 12.340 -10.025 2.673 197 1HB LEU 25 2HB LEU 25 11.723 -8.235 1.400 198 2HB LEU 25 1HB LEU 25 10.798 -7.498 2.670 199 HG LEU 25 HG LEU 25 13.431 -7.377 3.621 200 1HD1 LEU 25 1HD1 LEU 25 13.648 -7.801 0.898 201 2HD1 LEU 25 2HD1 LEU 25 14.887 -7.161 1.982 202 3HD1 LEU 25 3HD1 LEU 25 13.827 -6.059 1.099 203 1HD2 LEU 25 1HD2 LEU 25 11.630 -5.674 3.793 204 2HD2 LEU 25 2HD2 LEU 25 11.936 -5.234 2.111 205 3HD2 LEU 25 3HD2 LEU 25 13.191 -5.000 3.330 206 H LEU 26 H LEU 26 11.244 -7.534 4.826 207 HA LEU 26 HA LEU 26 13.671 -7.324 6.218 208 1HB LEU 26 2HB LEU 26 12.300 -5.444 5.951 209 2HB LEU 26 1HB LEU 26 10.870 -6.318 6.471 210 HG LEU 26 HG LEU 26 11.836 -6.538 8.708 211 1HD1 LEU 26 1HD1 LEU 26 14.084 -6.292 8.785 212 2HD1 LEU 26 2HD1 LEU 26 13.752 -4.568 8.741 213 3HD1 LEU 26 3HD1 LEU 26 14.110 -5.420 7.250 214 1HD2 LEU 26 1HD2 LEU 26 12.027 -3.630 8.297 215 2HD2 LEU 26 2HD2 LEU 26 10.910 -4.544 9.307 216 3HD2 LEU 26 3HD2 LEU 26 10.597 -4.360 7.582 217 H GLN 27 H GLN 27 11.223 -9.654 6.552 218 HA GLN 27 HA GLN 27 11.207 -9.947 9.406 219 1HB GLN 27 2HB GLN 27 10.609 -11.663 6.991 220 2HB GLN 27 1HB GLN 27 10.450 -12.289 8.623 221 1HG GLN 27 2HG GLN 27 9.211 -9.654 8.183 222 2HG GLN 27 1HG GLN 27 8.462 -10.979 7.301 223 1HE2 GLN 27 1HE2 GLN 27 7.412 -9.449 9.645 224 2HE2 GLN 27 2HE2 GLN 27 7.094 -10.608 10.837 225 H ALA 28 H ALA 28 13.597 -10.311 7.018 226 HA ALA 28 HA ALA 28 15.082 -12.317 8.629 227 1HB ALA 28 1HB ALA 28 14.259 -12.336 5.994 228 2HB ALA 28 2HB ALA 28 15.537 -13.347 6.667 229 3HB ALA 28 3HB ALA 28 15.945 -11.822 5.873 230 H VAL 29 H VAL 29 15.268 -8.982 7.273 231 HA VAL 29 HA VAL 29 18.180 -9.068 7.962 232 HB VAL 29 HB VAL 29 18.041 -8.221 5.818 233 1HG1 VAL 29 1HG1 VAL 29 15.635 -8.348 5.578 234 2HG1 VAL 29 2HG1 VAL 29 16.181 -6.772 5.016 235 3HG1 VAL 29 3HG1 VAL 29 15.424 -6.923 6.599 236 1HG2 VAL 29 1HG2 VAL 29 18.365 -5.832 5.848 237 2HG2 VAL 29 2HG2 VAL 29 19.024 -6.473 7.354 238 3HG2 VAL 29 3HG2 VAL 29 17.450 -5.675 7.349 239 H ASP 30 H ASP 30 15.550 -8.601 9.669 240 HA ASP 30 HA ASP 30 15.063 -7.240 11.561 241 1HB ASP 30 2HB ASP 30 17.968 -7.815 11.315 242 2HB ASP 30 1HB ASP 30 17.505 -6.648 12.535 243 H SER 31 H SER 31 14.196 -5.326 10.426 244 HA SER 31 HA SER 31 16.030 -3.044 10.666 245 1HB SER 31 2HB SER 31 16.183 -4.722 8.530 246 2HB SER 31 1HB SER 31 15.053 -3.566 7.905 247 HG SER 31 HG SER 31 17.693 -3.238 8.838 248 H GLN 32 H GLN 32 13.906 -2.962 12.079 249 HA GLN 32 HA GLN 32 11.325 -2.536 11.148 250 1HB GLN 32 2HB GLN 32 12.648 -2.316 13.495 251 2HB GLN 32 1HB GLN 32 12.401 -0.606 13.141 252 1HG GLN 32 2HG GLN 32 10.139 -0.742 13.426 253 2HG GLN 32 1HG GLN 32 10.047 -2.347 12.699 254 1HE2 GLN 32 1HE2 GLN 32 9.890 -4.104 14.098 255 2HE2 GLN 32 2HE2 GLN 32 10.098 -4.009 15.776 256 H GLU 33 H GLU 33 14.124 -0.516 10.589 257 HA GLU 33 HA GLU 33 12.774 1.953 10.028 258 1HB GLU 33 2HB GLU 33 15.223 0.859 8.632 259 2HB GLU 33 1HB GLU 33 14.852 2.540 9.014 260 1HG GLU 33 2HG GLU 33 16.010 2.293 10.926 261 2HG GLU 33 1HG GLU 33 14.765 1.170 11.473 262 H VAL 34 H VAL 34 13.341 -0.989 8.177 263 HA VAL 34 HA VAL 34 12.359 0.124 5.665 264 HB VAL 34 HB VAL 34 13.595 -2.321 6.712 265 1HG1 VAL 34 1HG1 VAL 34 12.569 -3.856 5.020 266 2HG1 VAL 34 2HG1 VAL 34 11.342 -2.632 4.699 267 3HG1 VAL 34 3HG1 VAL 34 11.440 -3.381 6.288 268 1HG2 VAL 34 1HG2 VAL 34 14.197 -2.460 4.210 269 2HG2 VAL 34 2HG2 VAL 34 14.740 -1.026 5.079 270 3HG2 VAL 34 3HG2 VAL 34 13.323 -0.942 4.033 271 H ARG 35 H ARG 35 10.992 -1.856 8.309 272 HA ARG 35 HA ARG 35 8.368 -2.091 7.020 273 1HB ARG 35 2HB ARG 35 9.824 -3.032 9.320 274 2HB ARG 35 1HB ARG 35 8.229 -2.465 9.804 275 1HG ARG 35 2HG ARG 35 7.580 -3.862 7.574 276 2HG ARG 35 1HG ARG 35 8.974 -4.791 8.125 277 1HD ARG 35 2HD ARG 35 7.988 -5.145 10.291 278 2HD ARG 35 1HD ARG 35 6.672 -4.019 9.917 279 HE ARG 35 HE ARG 35 6.556 -5.853 7.849 280 1HH1 ARG 35 1HH1 ARG 35 7.374 -6.739 11.002 281 2HH1 ARG 35 2HH1 ARG 35 6.079 -7.871 11.197 282 1HH2 ARG 35 1HH2 ARG 35 4.530 -7.026 8.213 283 2HH2 ARG 35 2HH2 ARG 35 4.470 -8.034 9.621 284 H ASP 36 H ASP 36 9.851 -0.193 9.652 285 HA ASP 36 HA ASP 36 7.598 1.365 10.399 286 1HB ASP 36 2HB ASP 36 9.967 1.208 11.430 287 2HB ASP 36 1HB ASP 36 10.466 2.332 10.171 288 H TYR 37 H TYR 37 9.755 1.350 7.730 289 HA TYR 37 HA TYR 37 9.018 3.882 6.535 290 1HB TYR 37 2HB TYR 37 11.145 3.145 6.012 291 2HB TYR 37 1HB TYR 37 10.673 1.452 5.964 292 HD1 TYR 37 1HD TYR 37 9.315 0.594 4.088 293 HD2 TYR 37 2HD TYR 37 11.023 4.526 4.046 294 HE1 TYR 37 1HE TYR 37 8.823 0.760 1.691 295 HE2 TYR 37 2HE TYR 37 10.563 4.697 1.616 296 HH TYR 37 HH TYR 37 10.037 3.455 -0.244 297 H CYS 38 H CYS 38 8.533 0.441 5.868 298 HA CYS 38 HA CYS 38 6.758 0.542 3.725 299 1HB CYS 38 2HB CYS 38 7.941 -1.392 4.857 300 2HB CYS 38 1HB CYS 38 6.702 -1.329 6.089 301 HG CYS 38 HG CYS 38 4.924 -1.891 4.216 302 H GLU 39 H GLU 39 5.945 0.522 7.218 303 HA GLU 39 HA GLU 39 3.108 0.983 6.722 304 1HB GLU 39 2HB GLU 39 3.174 1.364 9.218 305 2HB GLU 39 1HB GLU 39 3.946 -0.149 8.738 306 1HG GLU 39 2HG GLU 39 5.851 0.539 9.713 307 2HG GLU 39 1HG GLU 39 5.927 1.863 8.544 308 H LYS 40 H LYS 40 5.929 2.900 6.541 309 HA LYS 40 HA LYS 40 4.583 5.406 7.319 310 1HB LYS 40 2HB LYS 40 7.019 5.081 7.731 311 2HB LYS 40 1HB LYS 40 7.268 4.812 6.006 312 1HG LYS 40 2HG LYS 40 6.822 7.028 5.450 313 2HG LYS 40 1HG LYS 40 5.948 7.335 6.951 314 1HD LYS 40 2HD LYS 40 7.853 7.807 8.099 315 2HD LYS 40 1HD LYS 40 8.734 6.483 7.332 316 1HE LYS 40 2HE LYS 40 9.360 7.793 5.485 317 2HE LYS 40 1HE LYS 40 8.045 8.957 5.748 318 1HZ LYS 40 1HZ LYS 40 10.427 9.545 6.549 319 2HZ LYS 40 2HZ LYS 40 10.058 8.518 7.851 320 3HZ LYS 40 3HZ LYS 40 9.104 9.891 7.551 321 H LYS 41 H LYS 41 5.585 3.458 4.676 322 HA LYS 41 HA LYS 41 5.060 5.168 2.462 323 1HB LYS 41 2HB LYS 41 4.852 2.181 2.800 324 2HB LYS 41 1HB LYS 41 5.084 3.026 1.292 325 1HG LYS 41 2HG LYS 41 6.989 2.304 3.376 326 2HG LYS 41 1HG LYS 41 7.240 2.512 1.652 327 1HD LYS 41 2HD LYS 41 6.756 4.911 3.388 328 2HD LYS 41 1HD LYS 41 8.316 4.189 3.275 329 1HE LYS 41 2HE LYS 41 8.465 4.580 0.929 330 2HE LYS 41 1HE LYS 41 6.735 4.916 0.829 331 1HZ LYS 41 1HZ LYS 41 7.213 6.737 2.520 332 2HZ LYS 41 2HZ LYS 41 7.720 7.020 0.923 333 3HZ LYS 41 3HZ LYS 41 8.847 6.549 2.103 334 H GLY 42 H GLY 42 3.416 2.404 3.807 335 1HA GLY 42 2HA GLY 42 1.005 2.914 4.446 336 2HA GLY 42 1HA GLY 42 0.821 3.364 2.770 337 H TRP 43 H TRP 43 2.227 0.650 4.575 338 HA TRP 43 HA TRP 43 0.519 -1.199 2.975 339 1HB TRP 43 2HB TRP 43 3.018 -2.181 4.243 340 2HB TRP 43 1HB TRP 43 2.182 -2.807 2.881 341 HD1 TRP 43 HD TRP 43 3.229 0.814 3.034 342 HE1 TRP 43 1HE TRP 43 4.987 1.210 1.370 343 HE3 TRP 43 3HE TRP 43 4.142 -3.937 1.392 344 HZ2 TRP 43 2HZ TRP 43 6.708 -0.059 -0.359 345 HZ3 TRP 43 3HZ TRP 43 5.907 -4.294 -0.280 346 HH2 TRP 43 HH TRP 43 7.199 -2.373 -1.193 347 H ILE 44 H ILE 44 2.531 -0.614 5.589 348 HA ILE 44 HA ILE 44 2.151 -0.597 7.829 349 HB ILE 44 HB ILE 44 -0.358 -2.152 7.355 350 1HG1 ILE 44 2HG1 ILE 44 -0.510 0.794 7.542 351 2HG1 ILE 44 1HG1 ILE 44 0.135 0.179 6.046 352 1HG2 ILE 44 1HG2 ILE 44 -0.168 -1.948 9.654 353 2HG2 ILE 44 2HG2 ILE 44 -0.832 -0.342 9.347 354 3HG2 ILE 44 3HG2 ILE 44 0.913 -0.554 9.532 355 1HD1 ILE 44 1HD1 ILE 44 -2.545 0.383 6.615 356 2HD1 ILE 44 2HD1 ILE 44 -2.207 -1.304 7.002 357 3HD1 ILE 44 3HD1 ILE 44 -1.853 -0.681 5.389 358 H VAL 45 H VAL 45 2.943 -2.911 5.988 359 HA VAL 45 HA VAL 45 2.647 -5.463 6.720 360 HB VAL 45 HB VAL 45 5.177 -5.610 6.585 361 1HG1 VAL 45 1HG1 VAL 45 5.240 -4.787 4.248 362 2HG1 VAL 45 2HG1 VAL 45 3.707 -3.965 4.524 363 3HG1 VAL 45 3HG1 VAL 45 3.788 -5.725 4.584 364 1HG2 VAL 45 1HG2 VAL 45 4.896 -2.617 6.303 365 2HG2 VAL 45 2HG2 VAL 45 6.384 -3.536 6.086 366 3HG2 VAL 45 3HG2 VAL 45 5.631 -3.438 7.678 367 H ASN 46 H ASN 46 1.852 -5.854 8.832 368 HA ASN 46 HA ASN 46 3.894 -5.950 10.963 369 1HB ASN 46 2HB ASN 46 2.714 -3.626 10.731 370 2HB ASN 46 1HB ASN 46 1.334 -4.443 11.458 371 1HD2 ASN 46 1HD2 ASN 46 2.484 -2.387 12.929 372 2HD2 ASN 46 2HD2 ASN 46 3.355 -3.016 14.241 373 H ILE 47 H ILE 47 1.409 -5.949 12.844 374 HA ILE 47 HA ILE 47 0.263 -8.597 12.058 375 HB ILE 47 HB ILE 47 2.270 -8.765 13.592 376 1HG1 ILE 47 2HG1 ILE 47 -0.037 -9.655 15.241 377 2HG1 ILE 47 1HG1 ILE 47 -0.017 -10.217 13.570 378 1HG2 ILE 47 1HG2 ILE 47 1.182 -6.587 14.827 379 2HG2 ILE 47 2HG2 ILE 47 2.350 -7.666 15.590 380 3HG2 ILE 47 3HG2 ILE 47 0.626 -7.882 15.888 381 1HD1 ILE 47 1HD1 ILE 47 1.232 -11.593 15.451 382 2HD1 ILE 47 2HD1 ILE 47 2.503 -10.399 15.183 383 3HD1 ILE 47 3HD1 ILE 47 1.954 -11.416 13.851 384 H THR 48 H THR 48 -0.447 -5.508 12.711 385 HA THR 48 HA THR 48 -3.083 -6.219 13.919 386 HB THR 48 HB THR 48 -1.860 -3.702 14.865 387 HG1 THR 48 1HG THR 48 -0.026 -4.999 14.858 388 1HG2 THR 48 1HG2 THR 48 -3.046 -4.193 16.784 389 2HG2 THR 48 2HG2 THR 48 -2.787 -5.931 16.626 390 3HG2 THR 48 3HG2 THR 48 -3.984 -5.122 15.614 391 H SER 49 H SER 49 -2.975 -5.786 11.267 392 HA SER 49 HA SER 49 -3.723 -2.902 10.890 393 1HB SER 49 2HB SER 49 -3.120 -3.532 8.449 394 2HB SER 49 1HB SER 49 -1.794 -3.387 9.601 395 HG SER 49 HG SER 49 -2.505 -5.494 8.157 396 H GLN 50 H GLN 50 -4.726 -6.227 10.573 397 HA GLN 50 HA GLN 50 -6.972 -5.692 8.772 398 1HB GLN 50 2HB GLN 50 -5.505 -7.855 9.366 399 2HB GLN 50 1HB GLN 50 -6.801 -8.098 10.539 400 1HG GLN 50 2HG GLN 50 -8.426 -8.359 8.900 401 2HG GLN 50 1HG GLN 50 -7.526 -7.416 7.711 402 1HE2 GLN 50 1HE2 GLN 50 -7.918 -10.630 9.100 403 2HE2 GLN 50 2HE2 GLN 50 -6.876 -11.425 8.022 404 H VAL 51 H VAL 51 -7.952 -3.913 10.112 405 HA VAL 51 HA VAL 51 -9.092 -4.638 12.725 406 HB VAL 51 HB VAL 51 -9.501 -2.210 10.948 407 1HG1 VAL 51 1HG1 VAL 51 -11.085 -2.660 12.918 408 2HG1 VAL 51 2HG1 VAL 51 -10.258 -1.103 12.916 409 3HG1 VAL 51 3HG1 VAL 51 -9.685 -2.403 13.960 410 1HG2 VAL 51 1HG2 VAL 51 -7.464 -1.438 11.579 411 2HG2 VAL 51 2HG2 VAL 51 -7.108 -3.108 12.019 412 3HG2 VAL 51 3HG2 VAL 51 -7.688 -1.978 13.243 413 H GLN 52 H GLN 52 -10.727 -3.150 9.921 414 HA GLN 52 HA GLN 52 -12.837 -3.596 8.967 415 1HB GLN 52 2HB GLN 52 -12.220 -6.351 10.088 416 2HB GLN 52 1HB GLN 52 -13.360 -5.988 8.791 417 1HG GLN 52 2HG GLN 52 -11.450 -4.994 7.487 418 2HG GLN 52 1HG GLN 52 -10.358 -5.583 8.741 419 1HE2 GLN 52 1HE2 GLN 52 -13.185 -7.047 7.023 420 2HE2 GLN 52 2HE2 GLN 52 -12.366 -8.472 6.593 421 H THR 53 H THR 53 -13.060 -5.903 11.682 422 HA THR 53 HA THR 53 -14.784 -6.089 13.310 423 HB THR 53 HB THR 53 -14.833 -3.946 14.664 424 HG1 THR 53 1HG THR 53 -14.360 -2.235 13.570 425 1HG2 THR 53 1HG2 THR 53 -12.487 -4.087 15.312 426 2HG2 THR 53 2HG2 THR 53 -12.083 -4.862 13.780 427 3HG2 THR 53 3HG2 THR 53 -13.092 -5.705 14.957 428 H GLU 54 H GLU 54 -16.643 -4.135 14.176 429 HA GLU 54 HA GLU 54 -18.092 -2.951 11.959 430 1HB GLU 54 2HB GLU 54 -18.600 -5.182 11.336 431 2HB GLU 54 1HB GLU 54 -18.807 -5.690 13.012 432 1HG GLU 54 2HG GLU 54 -20.988 -5.443 11.853 433 2HG GLU 54 1HG GLU 54 -20.832 -4.318 13.202 434 H ARG 55 H ARG 55 -18.957 -4.649 15.008 435 HA ARG 55 HA ARG 55 -20.260 -3.867 16.832 436 1HB ARG 55 2HB ARG 55 -17.895 -2.494 16.495 437 2HB ARG 55 1HB ARG 55 -19.068 -1.182 16.585 438 1HG ARG 55 2HG ARG 55 -19.746 -3.107 18.586 439 2HG ARG 55 1HG ARG 55 -18.023 -2.754 18.727 440 1HD ARG 55 2HD ARG 55 -19.555 -0.319 18.250 441 2HD ARG 55 1HD ARG 55 -20.098 -1.160 19.716 442 HE ARG 55 HE ARG 55 -17.541 0.135 19.403 443 1HH1 ARG 55 1HH2 ARG 55 -18.792 -0.409 22.050 444 2HH1 ARG 55 2HH2 ARG 55 -17.770 -1.646 22.700 445 1HH2 ARG 55 1HH1 ARG 55 -16.337 -2.436 19.643 446 2HH2 ARG 55 2HH1 ARG 55 -16.380 -2.794 21.336 447 H ASN 56 H ASN 56 -21.980 -3.834 14.828 448 HA ASN 56 HA ASN 56 -22.905 -1.295 13.863 449 1HB ASN 56 2HB ASN 56 -23.377 -3.901 13.327 450 2HB ASN 56 1HB ASN 56 -24.806 -3.545 14.298 451 1HD2 ASN 56 1HD2 ASN 56 -24.665 -4.035 11.340 452 2HD2 ASN 56 2HD2 ASN 56 -25.313 -2.642 10.617 453 H ILE 57 H ILE 57 -24.124 0.248 14.892 454 HA ILE 57 HA ILE 57 -24.596 0.429 17.619 455 HB ILE 57 HB ILE 57 -26.290 1.404 15.295 456 1HG1 ILE 57 2HG1 ILE 57 -24.663 3.408 16.541 457 2HG1 ILE 57 1HG1 ILE 57 -23.640 2.020 16.164 458 1HG2 ILE 57 1HG2 ILE 57 -26.681 3.292 17.104 459 2HG2 ILE 57 2HG2 ILE 57 -26.313 1.992 18.236 460 3HG2 ILE 57 3HG2 ILE 57 -27.669 1.831 17.121 461 1HD1 ILE 57 1HD1 ILE 57 -25.329 2.357 13.929 462 2HD1 ILE 57 2HD1 ILE 57 -23.602 2.703 14.020 463 3HD1 ILE 57 3HD1 ILE 57 -24.776 3.975 14.362 464 H ASN 58 H ASN 58 -25.906 -0.677 19.027 465 HA ASN 58 HA ASN 58 -28.559 -1.622 18.288 466 1HB ASN 58 2HB ASN 58 -26.667 -3.185 17.293 467 2HB ASN 58 1HB ASN 58 -26.614 -3.812 18.941 468 1HD2 ASN 58 1HD2 ASN 58 -27.699 -5.813 18.664 469 2HD2 ASN 58 2HD2 ASN 58 -29.286 -5.947 18.080 470 H ARG 59 H ARG 59 -27.069 -0.127 20.458 471 HA ARG 59 HA ARG 59 -26.801 -1.553 22.865 472 1HB ARG 59 2HB ARG 59 -27.287 0.657 23.894 473 2HB ARG 59 1HB ARG 59 -26.226 0.818 22.493 474 1HG ARG 59 2HG ARG 59 -28.248 1.305 21.092 475 2HG ARG 59 1HG ARG 59 -29.216 1.304 22.566 476 1HD ARG 59 2HD ARG 59 -27.104 2.998 23.207 477 2HD ARG 59 1HD ARG 59 -27.464 3.401 21.517 478 HE ARG 59 HE ARG 59 -29.598 3.282 23.616 479 1HH1 ARG 59 1HH1 ARG 59 -29.378 3.736 20.386 480 2HH1 ARG 59 2HH1 ARG 59 -29.992 5.356 20.349 481 1HH2 ARG 59 1HH2 ARG 59 -29.828 5.775 23.789 482 2HH2 ARG 59 2HH2 ARG 59 -30.248 6.511 22.278 483 H ALA 60 H ALA 60 -29.760 -0.152 21.434 484 HA ALA 60 HA ALA 60 -31.364 -1.701 23.442 485 1HB ALA 60 1HB ALA 60 -32.705 0.470 22.007 486 2HB ALA 60 2HB ALA 60 -31.264 1.023 22.858 487 3HB ALA 60 3HB ALA 60 -32.552 0.210 23.746 488 1H MET 1 1HT MET 1 34.885 -28.812 7.058 489 2H MET 1 2HT MET 1 34.718 -27.216 6.497 490 3H MET 1 3HT MET 1 34.770 -28.507 5.394 491 HA MET 1 HA MET 1 32.524 -28.242 5.432 492 1HB MET 1 2HB MET 1 33.640 -30.292 6.973 493 2HB MET 1 1HB MET 1 32.326 -29.668 7.971 494 1HG MET 1 2HG MET 1 30.791 -29.872 6.017 495 2HG MET 1 1HG MET 1 32.107 -30.595 5.092 496 1HE MET 1 1HE MET 1 29.156 -33.082 6.478 497 2HE MET 1 2HE MET 1 29.374 -31.673 5.443 498 3HE MET 1 3HE MET 1 29.023 -31.453 7.156 499 H GLY 2 H GLY 2 33.090 -28.202 8.968 500 1HA GLY 2 2HA GLY 2 32.872 -25.899 10.070 501 2HA GLY 2 1HA GLY 2 31.427 -25.717 9.073 502 HA PRO 3 HA PRO 3 29.878 -27.416 13.000 503 1HB PRO 3 2HB PRO 3 27.478 -26.121 12.863 504 2HB PRO 3 1HB PRO 3 28.948 -25.336 13.480 505 1HG PRO 3 2HG PRO 3 27.669 -25.125 10.795 506 2HG PRO 3 1HG PRO 3 28.419 -23.862 11.791 507 1HD PRO 3 2HD PRO 3 29.667 -25.027 9.671 508 2HD PRO 3 1HD PRO 3 30.539 -24.373 11.076 509 H LEU 4 H LEU 4 28.632 -27.274 9.751 510 HA LEU 4 HA LEU 4 27.507 -29.965 9.921 511 1HB LEU 4 2HB LEU 4 25.957 -27.914 10.877 512 2HB LEU 4 1HB LEU 4 25.452 -27.964 9.190 513 HG LEU 4 HG LEU 4 25.505 -30.634 9.821 514 1HD1 LEU 4 1HD1 LEU 4 24.203 -30.718 12.010 515 2HD1 LEU 4 2HD1 LEU 4 24.718 -29.052 12.277 516 3HD1 LEU 4 3HD1 LEU 4 25.919 -30.339 12.160 517 1HD2 LEU 4 1HD2 LEU 4 23.654 -29.733 8.651 518 2HD2 LEU 4 2HD2 LEU 4 23.312 -28.560 9.923 519 3HD2 LEU 4 3HD2 LEU 4 22.965 -30.269 10.184 520 H GLN 5 H GLN 5 26.093 -30.228 7.716 521 HA GLN 5 HA GLN 5 27.789 -29.970 5.501 522 1HB GLN 5 2HB GLN 5 24.782 -30.049 5.837 523 2HB GLN 5 1HB GLN 5 25.522 -30.046 4.236 524 1HG GLN 5 2HG GLN 5 25.882 -32.258 4.414 525 2HG GLN 5 1HG GLN 5 26.927 -31.959 5.803 526 1HE2 GLN 5 1HE2 GLN 5 24.346 -33.806 4.991 527 2HE2 GLN 5 2HE2 GLN 5 23.534 -33.867 6.480 528 H TYR 6 H TYR 6 25.849 -27.546 7.072 529 HA TYR 6 HA TYR 6 25.508 -25.260 6.609 530 1HB TYR 6 2HB TYR 6 28.169 -25.958 6.525 531 2HB TYR 6 1HB TYR 6 27.962 -25.127 4.983 532 HD1 TYR 6 1HD TYR 6 27.500 -22.768 4.877 533 HD2 TYR 6 2HD TYR 6 27.642 -24.793 8.661 534 HE1 TYR 6 1HE TYR 6 27.514 -20.581 6.044 535 HE2 TYR 6 2HE TYR 6 27.655 -22.605 9.831 536 HH TYR 6 HH TYR 6 27.914 -20.377 9.558 537 H LYS 7 H LYS 7 25.818 -23.617 4.565 538 HA LYS 7 HA LYS 7 24.934 -23.048 2.452 539 1HB LYS 7 2HB LYS 7 27.004 -24.509 2.020 540 2HB LYS 7 1HB LYS 7 25.873 -25.823 1.701 541 1HG LYS 7 2HG LYS 7 26.060 -24.985 -0.440 542 2HG LYS 7 1HG LYS 7 24.742 -23.967 0.143 543 1HD LYS 7 2HD LYS 7 26.003 -22.122 -0.108 544 2HD LYS 7 1HD LYS 7 27.261 -22.806 0.921 545 1HE LYS 7 2HE LYS 7 28.570 -23.003 -0.917 546 2HE LYS 7 1HE LYS 7 27.412 -24.182 -1.564 547 1HZ LYS 7 1HZ LYS 7 27.457 -22.410 -3.102 548 2HZ LYS 7 2HZ LYS 7 27.372 -21.233 -1.879 549 3HZ LYS 7 3HZ LYS 7 26.023 -22.209 -2.220 550 H ASP 8 H ASP 8 23.031 -24.200 4.280 551 HA ASP 8 HA ASP 8 21.450 -26.192 2.788 552 1HB ASP 8 2HB ASP 8 20.770 -24.599 5.278 553 2HB ASP 8 1HB ASP 8 20.084 -26.147 4.784 554 H LEU 9 H LEU 9 21.958 -23.111 2.117 555 HA LEU 9 HA LEU 9 19.509 -21.710 2.159 556 1HB LEU 9 2HB LEU 9 20.557 -20.385 0.411 557 2HB LEU 9 1HB LEU 9 21.811 -20.903 1.538 558 HG LEU 9 HG LEU 9 21.807 -22.999 -0.204 559 1HD1 LEU 9 1HD1 LEU 9 21.845 -20.924 -2.242 560 2HD1 LEU 9 2HD1 LEU 9 20.253 -21.060 -1.495 561 3HD1 LEU 9 3HD1 LEU 9 21.001 -22.472 -2.243 562 1HD2 LEU 9 1HD2 LEU 9 23.854 -21.986 0.409 563 2HD2 LEU 9 2HD2 LEU 9 23.345 -20.403 -0.177 564 3HD2 LEU 9 3HD2 LEU 9 23.740 -21.682 -1.324 565 H LYS 10 H LYS 10 18.692 -21.107 -0.347 566 HA LYS 10 HA LYS 10 18.286 -23.309 -2.152 567 1HB LYS 10 2HB LYS 10 17.011 -24.333 -0.424 568 2HB LYS 10 1HB LYS 10 16.285 -22.798 0.057 569 1HG LYS 10 2HG LYS 10 15.693 -23.281 -2.714 570 2HG LYS 10 1HG LYS 10 15.247 -24.705 -1.775 571 1HD LYS 10 2HD LYS 10 13.670 -23.564 -0.528 572 2HD LYS 10 1HD LYS 10 14.510 -22.021 -0.685 573 1HE LYS 10 2HE LYS 10 13.864 -22.545 -3.304 574 2HE LYS 10 1HE LYS 10 12.465 -23.217 -2.444 575 1HZ LYS 10 1HZ LYS 10 12.424 -20.731 -2.927 576 2HZ LYS 10 2HZ LYS 10 13.620 -20.588 -1.728 577 3HZ LYS 10 3HZ LYS 10 12.088 -21.210 -1.335 578 H ILE 11 H ILE 11 18.905 -21.072 -3.160 579 HA ILE 11 HA ILE 11 16.393 -19.553 -3.800 580 HB ILE 11 HB ILE 11 17.947 -17.601 -4.009 581 1HG1 ILE 11 2HG1 ILE 11 20.074 -19.211 -2.651 582 2HG1 ILE 11 1HG1 ILE 11 19.910 -19.357 -4.400 583 1HG2 ILE 11 1HG2 ILE 11 18.680 -18.527 -1.349 584 2HG2 ILE 11 2HG2 ILE 11 16.976 -18.789 -1.722 585 3HG2 ILE 11 3HG2 ILE 11 17.665 -17.170 -1.834 586 1HD1 ILE 11 1HD1 ILE 11 20.526 -16.891 -2.776 587 2HD1 ILE 11 2HD1 ILE 11 19.903 -16.773 -4.423 588 3HD1 ILE 11 3HD1 ILE 11 21.442 -17.579 -4.118 589 H ASP 12 H ASP 12 18.643 -18.139 -5.581 590 HA ASP 12 HA ASP 12 19.392 -18.270 -7.760 591 1HB ASP 12 2HB ASP 12 19.448 -20.951 -6.660 592 2HB ASP 12 1HB ASP 12 19.119 -21.000 -8.392 593 H ILE 13 H ILE 13 16.941 -20.880 -7.633 594 HA ILE 13 HA ILE 13 15.728 -20.257 -10.131 595 HB ILE 13 HB ILE 13 14.860 -21.672 -7.606 596 1HG1 ILE 13 2HG1 ILE 13 14.971 -23.165 -10.106 597 2HG1 ILE 13 1HG1 ILE 13 16.500 -22.352 -9.773 598 1HG2 ILE 13 1HG2 ILE 13 12.784 -20.924 -8.524 599 2HG2 ILE 13 2HG2 ILE 13 12.980 -22.587 -9.079 600 3HG2 ILE 13 3HG2 ILE 13 13.318 -21.246 -10.174 601 1HD1 ILE 13 1HD1 ILE 13 16.633 -23.371 -7.578 602 2HD1 ILE 13 2HD1 ILE 13 16.342 -24.647 -8.760 603 3HD1 ILE 13 3HD1 ILE 13 15.019 -24.060 -7.754 604 H LYS 14 H LYS 14 13.621 -19.251 -10.517 605 HA LYS 14 HA LYS 14 12.176 -17.386 -10.344 606 1HB LYS 14 2HB LYS 14 12.082 -19.097 -8.023 607 2HB LYS 14 1HB LYS 14 11.738 -17.435 -7.541 608 1HG LYS 14 2HG LYS 14 9.646 -17.728 -8.322 609 2HG LYS 14 1HG LYS 14 10.333 -17.799 -9.945 610 1HD LYS 14 2HD LYS 14 9.558 -19.918 -10.048 611 2HD LYS 14 1HD LYS 14 10.831 -20.334 -8.901 612 1HE LYS 14 2HE LYS 14 9.044 -21.053 -7.634 613 2HE LYS 14 1HE LYS 14 8.955 -19.337 -7.193 614 1HZ LYS 14 1HZ LYS 14 7.076 -20.830 -8.635 615 2HZ LYS 14 2HZ LYS 14 7.740 -19.689 -9.704 616 3HZ LYS 14 3HZ LYS 14 7.023 -19.180 -8.250 617 H THR 15 H THR 15 13.730 -15.689 -10.783 618 HA THR 15 HA THR 15 14.689 -14.250 -8.332 619 HB THR 15 HB THR 15 16.512 -13.479 -10.009 620 HG1 THR 15 1HG THR 15 16.339 -14.338 -11.899 621 1HG2 THR 15 1HG2 THR 15 17.632 -14.817 -8.598 622 2HG2 THR 15 2HG2 THR 15 17.297 -16.159 -9.694 623 3HG2 THR 15 3HG2 THR 15 16.209 -15.825 -8.347 624 H SER 16 H SER 16 13.264 -12.509 -8.164 625 HA SER 16 HA SER 16 11.882 -11.328 -10.365 626 1HB SER 16 2HB SER 16 12.538 -10.274 -7.598 627 2HB SER 16 1HB SER 16 11.294 -9.635 -8.657 628 HG SER 16 HG SER 16 11.458 -12.139 -7.386 629 HA PRO 17 HA PRO 17 12.650 -8.644 -8.060 630 1HB PRO 17 2HB PRO 17 14.031 -6.352 -7.817 631 2HB PRO 17 1HB PRO 17 14.710 -7.895 -7.307 632 1HG PRO 17 2HG PRO 17 15.565 -6.192 -9.428 633 2HG PRO 17 1HG PRO 17 16.261 -7.732 -8.914 634 1HD PRO 17 2HD PRO 17 14.302 -7.192 -11.061 635 2HD PRO 17 1HD PRO 17 15.527 -8.444 -10.926 636 HA PRO 18 HA PRO 18 11.455 -5.423 -11.418 637 1HB PRO 18 2HB PRO 18 9.305 -6.622 -12.649 638 2HB PRO 18 1HB PRO 18 10.997 -6.712 -13.211 639 1HG PRO 18 2HG PRO 18 9.449 -8.709 -11.637 640 2HG PRO 18 1HG PRO 18 10.547 -8.946 -13.001 641 1HD PRO 18 2HD PRO 18 11.338 -9.358 -10.463 642 2HD PRO 18 1HD PRO 18 12.440 -8.741 -11.710 643 HA PRO 19 HA PRO 19 7.424 -5.311 -8.883 644 1HB PRO 19 2HB PRO 19 7.268 -7.014 -6.744 645 2HB PRO 19 1HB PRO 19 6.587 -7.424 -8.331 646 1HG PRO 19 2HG PRO 19 9.134 -8.308 -7.080 647 2HG PRO 19 1HG PRO 19 8.000 -9.212 -8.095 648 1HD PRO 19 2HD PRO 19 10.349 -8.173 -9.002 649 2HD PRO 19 1HD PRO 19 8.936 -8.463 -10.028 650 H GLU 20 H GLU 20 9.247 -3.692 -8.617 651 HA GLU 20 HA GLU 20 11.232 -3.664 -6.644 652 1HB GLU 20 2HB GLU 20 10.813 -1.105 -6.838 653 2HB GLU 20 1HB GLU 20 11.283 -2.000 -8.280 654 1HG GLU 20 2HG GLU 20 9.253 -1.693 -9.280 655 2HG GLU 20 1HG GLU 20 8.369 -1.898 -7.767 656 H CYS 21 H CYS 21 9.370 -4.798 -4.990 657 HA CYS 21 HA CYS 21 8.106 -2.660 -3.406 658 1HB CYS 21 2HB CYS 21 7.968 -4.969 -1.848 659 2HB CYS 21 1HB CYS 21 6.714 -4.359 -2.911 660 HG CYS 21 HG CYS 21 7.090 -6.733 -3.770 661 H ILE 22 H ILE 22 11.007 -4.646 -3.290 662 HA ILE 22 HA ILE 22 11.765 -3.784 -0.581 663 HB ILE 22 HB ILE 22 13.402 -4.980 -2.841 664 1HG1 ILE 22 2HG1 ILE 22 12.311 -6.884 -2.514 665 2HG1 ILE 22 1HG1 ILE 22 12.949 -6.946 -0.884 666 1HG2 ILE 22 1HG2 ILE 22 15.028 -4.367 -1.380 667 2HG2 ILE 22 2HG2 ILE 22 14.547 -5.862 -0.576 668 3HG2 ILE 22 3HG2 ILE 22 13.924 -4.315 -0.005 669 1HD1 ILE 22 1HD1 ILE 22 10.919 -5.383 -0.309 670 2HD1 ILE 22 2HD1 ILE 22 10.638 -7.107 -0.512 671 3HD1 ILE 22 3HD1 ILE 22 10.247 -5.991 -1.820 672 H ASN 23 H ASN 23 13.124 -3.194 -3.836 673 HA ASN 23 HA ASN 23 14.892 -1.117 -2.952 674 1HB ASN 23 2HB ASN 23 15.112 -0.618 -5.301 675 2HB ASN 23 1HB ASN 23 14.972 -2.366 -5.130 676 1HD2 ASN 23 1HD2 ASN 23 14.024 -0.087 -7.199 677 2HD2 ASN 23 2HD2 ASN 23 12.468 -0.630 -7.601 678 H ASP 24 H ASP 24 11.621 -0.831 -4.474 679 HA ASP 24 HA ASP 24 11.399 1.987 -4.277 680 1HB ASP 24 2HB ASP 24 9.827 0.317 -5.378 681 2HB ASP 24 1HB ASP 24 9.243 -0.084 -3.762 682 H LEU 25 H LEU 25 11.436 -0.541 -1.934 683 HA LEU 25 HA LEU 25 10.269 1.050 0.191 684 1HB LEU 25 2HB LEU 25 9.798 -1.166 0.481 685 2HB LEU 25 1HB LEU 25 11.272 -1.699 -0.266 686 HG LEU 25 HG LEU 25 12.146 -0.380 2.048 687 1HD1 LEU 25 1HD1 LEU 25 9.487 -0.867 2.492 688 2HD1 LEU 25 2HD1 LEU 25 10.727 -0.618 3.724 689 3HD1 LEU 25 3HD1 LEU 25 10.286 -2.257 3.229 690 1HD2 LEU 25 1HD2 LEU 25 13.288 -2.292 1.467 691 2HD2 LEU 25 2HD2 LEU 25 11.812 -3.224 1.203 692 3HD2 LEU 25 3HD2 LEU 25 12.350 -2.868 2.844 693 H LEU 26 H LEU 26 13.209 -0.734 -0.168 694 HA LEU 26 HA LEU 26 14.579 0.578 1.892 695 1HB LEU 26 2HB LEU 26 15.087 -1.645 1.377 696 2HB LEU 26 1HB LEU 26 15.190 -1.306 -0.340 697 HG LEU 26 HG LEU 26 17.164 0.068 0.046 698 1HD1 LEU 26 1HD1 LEU 26 17.363 0.851 2.158 699 2HD1 LEU 26 2HD1 LEU 26 18.016 -0.736 2.535 700 3HD1 LEU 26 3HD1 LEU 26 16.312 -0.412 2.801 701 1HD2 LEU 26 1HD2 LEU 26 17.957 -2.418 1.412 702 2HD2 LEU 26 2HD2 LEU 26 18.496 -1.768 -0.135 703 3HD2 LEU 26 3HD2 LEU 26 16.988 -2.675 -0.034 704 H GLN 27 H GLN 27 13.946 1.655 -1.260 705 HA GLN 27 HA GLN 27 16.434 2.971 -1.845 706 1HB GLN 27 2HB GLN 27 13.535 3.205 -2.665 707 2HB GLN 27 1HB GLN 27 14.749 4.308 -3.289 708 1HG GLN 27 2HG GLN 27 15.522 1.473 -3.380 709 2HG GLN 27 1HG GLN 27 14.153 1.888 -4.406 710 1HE2 GLN 27 1HE2 GLN 27 16.918 1.163 -5.215 711 2HE2 GLN 27 2HE2 GLN 27 17.485 2.465 -6.134 712 H ALA 28 H ALA 28 14.105 3.336 0.591 713 HA ALA 28 HA ALA 28 14.697 6.229 0.912 714 1HB ALA 28 1HB ALA 28 12.312 4.910 0.569 715 2HB ALA 28 2HB ALA 28 12.480 6.502 1.308 716 3HB ALA 28 3HB ALA 28 12.396 5.062 2.327 717 H VAL 29 H VAL 29 14.883 3.030 2.562 718 HA VAL 29 HA VAL 29 15.494 4.571 5.057 719 HB VAL 29 HB VAL 29 13.857 3.044 5.620 720 1HG1 VAL 29 1HG1 VAL 29 13.547 2.030 3.466 721 2HG1 VAL 29 2HG1 VAL 29 13.734 0.744 4.651 722 3HG1 VAL 29 3HG1 VAL 29 15.079 1.164 3.595 723 1HG2 VAL 29 1HG2 VAL 29 14.837 1.175 6.806 724 2HG2 VAL 29 2HG2 VAL 29 15.924 2.556 6.954 725 3HG2 VAL 29 3HG2 VAL 29 16.295 1.258 5.820 726 H ASP 30 H ASP 30 17.232 3.727 2.558 727 HA ASP 30 HA ASP 30 19.511 3.071 2.307 728 1HB ASP 30 2HB ASP 30 19.067 4.616 4.812 729 2HB ASP 30 1HB ASP 30 20.653 3.911 4.589 730 H SER 31 H SER 31 19.245 0.692 2.408 731 HA SER 31 HA SER 31 20.372 -0.381 4.901 732 1HB SER 31 2HB SER 31 17.751 0.301 4.759 733 2HB SER 31 1HB SER 31 17.637 -1.351 4.240 734 HG SER 31 HG SER 31 18.642 -0.244 6.633 735 H GLN 32 H GLN 32 21.713 -0.802 2.774 736 HA GLN 32 HA GLN 32 21.047 -2.554 0.723 737 1HB GLN 32 2HB GLN 32 23.270 -1.321 1.636 738 2HB GLN 32 1HB GLN 32 23.645 -2.978 2.108 739 1HG GLN 32 2HG GLN 32 23.856 -3.684 -0.057 740 2HG GLN 32 1HG GLN 32 22.548 -2.646 -0.624 741 1HE2 GLN 32 1HE2 GLN 32 23.119 -0.697 -1.614 742 2HE2 GLN 32 2HE2 GLN 32 24.698 -0.089 -1.673 743 H GLU 33 H GLU 33 21.318 -3.324 4.126 744 HA GLU 33 HA GLU 33 21.825 -6.146 3.882 745 1HB GLU 33 2HB GLU 33 20.078 -4.809 5.955 746 2HB GLU 33 1HB GLU 33 21.151 -6.192 6.161 747 1HG GLU 33 2HG GLU 33 22.776 -4.785 6.821 748 2HG GLU 33 1HG GLU 33 22.775 -4.089 5.201 749 H VAL 34 H VAL 34 18.998 -4.122 3.577 750 HA VAL 34 HA VAL 34 17.088 -6.324 3.521 751 HB VAL 34 HB VAL 34 17.184 -3.365 3.419 752 1HG1 VAL 34 1HG1 VAL 34 14.845 -3.244 2.457 753 2HG1 VAL 34 2HG1 VAL 34 15.064 -4.900 1.889 754 3HG1 VAL 34 3HG1 VAL 34 16.108 -3.616 1.284 755 1HG2 VAL 34 1HG2 VAL 34 15.406 -3.579 4.969 756 2HG2 VAL 34 2HG2 VAL 34 16.436 -4.967 5.298 757 3HG2 VAL 34 3HG2 VAL 34 14.953 -5.172 4.366 758 H ARG 35 H ARG 35 18.762 -4.290 1.108 759 HA ARG 35 HA ARG 35 17.454 -5.613 -1.165 760 1HB ARG 35 2HB ARG 35 19.202 -3.405 -0.562 761 2HB ARG 35 1HB ARG 35 19.860 -4.348 -1.894 762 1HG ARG 35 2HG ARG 35 17.246 -4.237 -2.622 763 2HG ARG 35 1HG ARG 35 17.411 -2.688 -1.792 764 1HD ARG 35 2HD ARG 35 19.241 -2.029 -3.203 765 2HD ARG 35 1HD ARG 35 19.345 -3.653 -3.901 766 HE ARG 35 HE ARG 35 16.737 -2.967 -4.414 767 1HH1 ARG 35 1HH1 ARG 35 19.158 -0.609 -4.355 768 2HH1 ARG 35 2HH1 ARG 35 18.897 -0.065 -5.977 769 1HH2 ARG 35 1HH2 ARG 35 16.647 -2.582 -6.754 770 2HH2 ARG 35 2HH2 ARG 35 17.480 -1.177 -7.332 771 H ASP 36 H ASP 36 20.632 -5.654 0.459 772 HA ASP 36 HA ASP 36 21.930 -7.602 -1.149 773 1HB ASP 36 2HB ASP 36 22.807 -6.143 0.806 774 2HB ASP 36 1HB ASP 36 22.104 -7.354 1.870 775 H TYR 37 H TYR 37 19.477 -7.683 1.253 776 HA TYR 37 HA TYR 37 19.362 -10.537 1.706 777 1HB TYR 37 2HB TYR 37 18.597 -9.247 3.457 778 2HB TYR 37 1HB TYR 37 17.885 -8.031 2.405 779 HD1 TYR 37 1HD TYR 37 15.819 -8.527 1.154 780 HD2 TYR 37 2HD TYR 37 17.343 -11.175 4.160 781 HE1 TYR 37 1HE TYR 37 13.679 -9.732 1.149 782 HE2 TYR 37 2HE TYR 37 15.179 -12.386 4.185 783 HH TYR 37 HH TYR 37 13.055 -12.358 3.490 784 H CYS 38 H CYS 38 17.383 -8.088 0.086 785 HA CYS 38 HA CYS 38 15.463 -9.678 -1.151 786 1HB CYS 38 2HB CYS 38 15.744 -7.160 -0.987 787 2HB CYS 38 1HB CYS 38 16.891 -7.284 -2.301 788 HG CYS 38 HG CYS 38 14.945 -8.187 -3.828 789 H GLU 39 H GLU 39 18.648 -8.711 -2.486 790 HA GLU 39 HA GLU 39 18.389 -10.447 -4.808 791 1HB GLU 39 2HB GLU 39 20.825 -9.810 -5.012 792 2HB GLU 39 1HB GLU 39 19.769 -8.413 -4.796 793 1HG GLU 39 2HG GLU 39 20.921 -7.845 -2.952 794 2HG GLU 39 1HG GLU 39 20.415 -9.363 -2.202 795 H LYS 40 H LYS 40 18.979 -10.960 -1.488 796 HA LYS 40 HA LYS 40 20.708 -13.317 -1.891 797 1HB LYS 40 2HB LYS 40 20.937 -11.891 0.143 798 2HB LYS 40 1HB LYS 40 19.248 -12.207 0.544 799 1HG LYS 40 2HG LYS 40 19.644 -14.453 1.044 800 2HG LYS 40 1HG LYS 40 21.164 -14.484 0.150 801 1HD LYS 40 2HD LYS 40 22.348 -13.673 1.910 802 2HD LYS 40 1HD LYS 40 21.093 -12.499 2.312 803 1HE LYS 40 2HE LYS 40 19.995 -13.953 3.738 804 2HE LYS 40 1HE LYS 40 20.516 -15.391 2.839 805 1HZ LYS 40 1HZ LYS 40 21.682 -14.637 5.093 806 2HZ LYS 40 2HZ LYS 40 22.613 -13.731 3.999 807 3HZ LYS 40 3HZ LYS 40 22.528 -15.421 3.849 808 H LYS 41 H LYS 41 17.497 -12.254 -1.280 809 HA LYS 41 HA LYS 41 16.166 -14.711 -0.747 810 1HB LYS 41 2HB LYS 41 15.270 -12.179 -2.113 811 2HB LYS 41 1HB LYS 41 14.230 -13.343 -1.338 812 1HG LYS 41 2HG LYS 41 15.857 -11.203 -0.209 813 2HG LYS 41 1HG LYS 41 14.355 -11.895 0.376 814 1HD LYS 41 2HD LYS 41 16.889 -13.490 0.550 815 2HD LYS 41 1HD LYS 41 16.512 -12.287 1.723 816 1HE LYS 41 2HE LYS 41 14.500 -13.387 2.384 817 2HE LYS 41 1HE LYS 41 14.537 -14.411 0.947 818 1HZ LYS 41 1HZ LYS 41 16.751 -15.215 1.767 819 2HZ LYS 41 2HZ LYS 41 15.418 -15.707 2.699 820 3HZ LYS 41 3HZ LYS 41 16.417 -14.443 3.239 821 H GLY 42 H GLY 42 16.273 -12.589 -3.506 822 1HA GLY 42 2HA GLY 42 17.056 -13.768 -5.620 823 2HA GLY 42 1HA GLY 42 15.702 -14.833 -5.337 824 H TRP 43 H TRP 43 16.281 -11.334 -5.381 825 HA TRP 43 HA TRP 43 14.052 -11.067 -7.346 826 1HB TRP 43 2HB TRP 43 14.859 -8.765 -5.650 827 2HB TRP 43 1HB TRP 43 13.352 -9.061 -6.418 828 HD1 TRP 43 HD TRP 43 14.940 -11.612 -4.132 829 HE1 TRP 43 1HE TRP 43 13.569 -11.832 -2.107 830 HE3 TRP 43 3HE TRP 43 11.545 -7.863 -4.823 831 HZ2 TRP 43 2HZ TRP 43 11.469 -10.682 -0.735 832 HZ3 TRP 43 3HZ TRP 43 9.865 -7.444 -3.079 833 HH2 TRP 43 HH TRP 43 9.786 -8.850 -1.029 834 H ILE 44 H ILE 44 16.701 -9.784 -5.748 835 HA ILE 44 HA ILE 44 18.758 -9.142 -6.473 836 HB ILE 44 HB ILE 44 17.682 -9.052 -9.260 837 1HG1 ILE 44 2HG1 ILE 44 19.039 -11.508 -8.322 838 2HG1 ILE 44 1HG1 ILE 44 17.422 -11.277 -7.718 839 1HG2 ILE 44 1HG2 ILE 44 19.870 -8.300 -9.397 840 2HG2 ILE 44 2HG2 ILE 44 20.236 -10.026 -9.349 841 3HG2 ILE 44 3HG2 ILE 44 20.323 -9.062 -7.867 842 1HD1 ILE 44 1HD1 ILE 44 18.008 -12.361 -10.165 843 2HD1 ILE 44 2HD1 ILE 44 17.717 -10.671 -10.578 844 3HD1 ILE 44 3HD1 ILE 44 16.469 -11.602 -9.749 845 H VAL 45 H VAL 45 16.149 -7.556 -6.302 846 HA VAL 45 HA VAL 45 15.775 -5.289 -7.656 847 HB VAL 45 HB VAL 45 15.637 -4.162 -5.385 848 1HG1 VAL 45 1HG1 VAL 45 13.717 -5.312 -6.299 849 2HG1 VAL 45 2HG1 VAL 45 13.845 -5.712 -4.587 850 3HG1 VAL 45 3HG1 VAL 45 14.375 -6.870 -5.804 851 1HG2 VAL 45 1HG2 VAL 45 16.590 -6.884 -4.486 852 2HG2 VAL 45 2HG2 VAL 45 16.022 -5.595 -3.426 853 3HG2 VAL 45 3HG2 VAL 45 17.509 -5.386 -4.351 854 H ASN 46 H ASN 46 17.296 -4.130 -8.804 855 HA ASN 46 HA ASN 46 19.317 -2.567 -7.407 856 1HB ASN 46 2HB ASN 46 19.990 -5.138 -7.690 857 2HB ASN 46 1HB ASN 46 20.459 -4.586 -9.294 858 1HD2 ASN 46 1HD2 ASN 46 22.235 -5.449 -7.054 859 2HD2 ASN 46 2HD2 ASN 46 23.255 -4.132 -6.746 860 H ILE 47 H ILE 47 21.042 -1.964 -9.437 861 HA ILE 47 HA ILE 47 19.910 -1.739 -12.067 862 HB ILE 47 HB ILE 47 18.253 -0.377 -10.896 863 1HG1 ILE 47 2HG1 ILE 47 20.001 1.714 -12.134 864 2HG1 ILE 47 1HG1 ILE 47 19.485 0.364 -13.146 865 1HG2 ILE 47 1HG2 ILE 47 20.252 1.676 -10.105 866 2HG2 ILE 47 2HG2 ILE 47 20.217 0.204 -9.134 867 3HG2 ILE 47 3HG2 ILE 47 18.761 1.187 -9.299 868 1HD1 ILE 47 1HD1 ILE 47 17.123 0.822 -12.493 869 2HD1 ILE 47 2HD1 ILE 47 17.862 2.184 -13.333 870 3HD1 ILE 47 3HD1 ILE 47 17.674 2.226 -11.580 871 H THR 48 H THR 48 22.001 -1.957 -12.894 872 HA THR 48 HA THR 48 23.998 0.129 -12.087 873 HB THR 48 HB THR 48 24.412 -2.678 -13.159 874 HG1 THR 48 1HG THR 48 24.455 -3.288 -11.148 875 1HG2 THR 48 1HG2 THR 48 26.495 -1.930 -13.575 876 2HG2 THR 48 2HG2 THR 48 26.698 -1.759 -11.832 877 3HG2 THR 48 3HG2 THR 48 26.160 -0.385 -12.795 878 H SER 49 H SER 49 23.028 -1.957 -14.815 879 HA SER 49 HA SER 49 24.410 -0.304 -16.780 880 1HB SER 49 2HB SER 49 24.218 -2.603 -17.256 881 2HB SER 49 1HB SER 49 22.535 -2.659 -16.743 882 HG SER 49 HG SER 49 23.285 -2.500 -19.155 883 H GLN 50 H GLN 50 23.319 0.967 -18.435 884 HA GLN 50 HA GLN 50 21.657 2.450 -19.237 885 1HB GLN 50 2HB GLN 50 20.452 0.109 -18.819 886 2HB GLN 50 1HB GLN 50 19.640 1.019 -17.544 887 1HG GLN 50 2HG GLN 50 18.212 1.530 -19.270 888 2HG GLN 50 1HG GLN 50 19.402 2.804 -19.538 889 1HE2 GLN 50 1HE2 GLN 50 18.950 -0.672 -20.439 890 2HE2 GLN 50 2HE2 GLN 50 19.514 -0.478 -22.029 891 H VAL 51 H VAL 51 22.633 4.164 -17.905 892 HA VAL 51 HA VAL 51 20.943 4.869 -15.528 893 HB VAL 51 HB VAL 51 23.938 5.015 -15.964 894 1HG1 VAL 51 1HG1 VAL 51 24.115 6.197 -13.868 895 2HG1 VAL 51 2HG1 VAL 51 22.379 6.063 -13.587 896 3HG1 VAL 51 3HG1 VAL 51 22.986 7.093 -14.884 897 1HG2 VAL 51 1HG2 VAL 51 22.246 3.069 -14.839 898 2HG2 VAL 51 2HG2 VAL 51 22.971 3.900 -13.464 899 3HG2 VAL 51 3HG2 VAL 51 24.001 3.156 -14.686 900 H GLN 52 H GLN 52 20.844 7.222 -15.128 901 HA GLN 52 HA GLN 52 21.640 8.943 -17.437 902 1HB GLN 52 2HB GLN 52 18.885 8.546 -16.237 903 2HB GLN 52 1HB GLN 52 19.284 9.904 -17.288 904 1HG GLN 52 2HG GLN 52 19.907 7.099 -18.171 905 2HG GLN 52 1HG GLN 52 18.270 7.730 -18.345 906 1HE2 GLN 52 1HE2 GLN 52 18.334 7.937 -20.663 907 2HE2 GLN 52 2HE2 GLN 52 19.351 9.045 -21.450 908 H THR 53 H THR 53 19.965 8.995 -14.270 909 HA THR 53 HA THR 53 20.123 10.542 -12.487 910 HB THR 53 HB THR 53 22.382 10.791 -11.770 911 HG1 THR 53 1HG THR 53 23.862 10.181 -13.829 912 1HG2 THR 53 1HG2 THR 53 23.285 8.598 -12.059 913 2HG2 THR 53 2HG2 THR 53 22.500 8.408 -13.627 914 3HG2 THR 53 3HG2 THR 53 21.534 8.413 -12.151 915 H GLU 54 H GLU 54 19.052 11.827 -14.680 916 HA GLU 54 HA GLU 54 18.730 13.995 -15.568 917 1HB GLU 54 2HB GLU 54 19.601 14.130 -12.886 918 2HB GLU 54 1HB GLU 54 20.510 15.373 -13.745 919 1HG GLU 54 2HG GLU 54 17.903 15.569 -14.756 920 2HG GLU 54 1HG GLU 54 17.696 15.331 -13.020 921 H ARG 55 H ARG 55 21.124 12.311 -16.396 922 HA ARG 55 HA ARG 55 22.553 14.476 -17.825 923 1HB ARG 55 2HB ARG 55 23.530 13.066 -15.478 924 2HB ARG 55 1HB ARG 55 24.593 12.798 -16.861 925 1HG ARG 55 2HG ARG 55 24.673 15.254 -17.244 926 2HG ARG 55 1HG ARG 55 23.680 15.491 -15.805 927 1HD ARG 55 2HD ARG 55 25.484 15.281 -14.450 928 2HD ARG 55 1HD ARG 55 25.970 13.769 -15.243 929 HE ARG 55 HE ARG 55 26.452 16.246 -16.779 930 1HH1 ARG 55 1HH1 ARG 55 27.692 13.279 -16.502 931 2HH1 ARG 55 2HH1 ARG 55 29.323 13.735 -16.133 932 1HH2 ARG 55 1HH2 ARG 55 28.539 17.059 -15.532 933 2HH2 ARG 55 2HH2 ARG 55 29.802 15.876 -15.585 934 H ASN 56 H ASN 56 23.207 13.760 -19.853 935 HA ASN 56 HA ASN 56 22.470 11.010 -20.628 936 1HB ASN 56 2HB ASN 56 23.276 13.576 -21.970 937 2HB ASN 56 1HB ASN 56 23.337 12.070 -22.886 938 1HD2 ASN 56 1HD2 ASN 56 21.434 11.759 -24.038 939 2HD2 ASN 56 2HD2 ASN 56 19.883 12.193 -23.502 940 H ILE 57 H ILE 57 23.950 9.382 -21.016 941 HA ILE 57 HA ILE 57 26.841 10.045 -20.610 942 HB ILE 57 HB ILE 57 25.248 7.471 -20.368 943 1HG1 ILE 57 2HG1 ILE 57 24.875 9.311 -18.645 944 2HG1 ILE 57 1HG1 ILE 57 25.452 7.777 -17.994 945 1HG2 ILE 57 1HG2 ILE 57 28.163 8.099 -19.808 946 2HG2 ILE 57 2HG2 ILE 57 27.535 6.959 -21.000 947 3HG2 ILE 57 3HG2 ILE 57 27.350 6.625 -19.279 948 1HD1 ILE 57 1HD1 ILE 57 27.425 8.671 -17.327 949 2HD1 ILE 57 2HD1 ILE 57 26.618 10.227 -17.517 950 3HD1 ILE 57 3HD1 ILE 57 27.614 9.585 -18.822 951 H ASN 58 H ASN 58 25.174 7.371 -22.295 952 HA ASN 58 HA ASN 58 27.117 7.634 -24.531 953 1HB ASN 58 2HB ASN 58 26.240 5.387 -25.098 954 2HB ASN 58 1HB ASN 58 26.742 5.465 -23.409 955 1HD2 ASN 58 1HD2 ASN 58 25.206 4.786 -21.908 956 2HD2 ASN 58 2HD2 ASN 58 23.540 4.660 -22.211 957 H ARG 59 H ARG 59 26.158 7.306 -26.782 958 HA ARG 59 HA ARG 59 23.701 8.982 -27.055 959 1HB ARG 59 2HB ARG 59 26.228 9.030 -28.212 960 2HB ARG 59 1HB ARG 59 25.226 8.291 -29.462 961 1HG ARG 59 2HG ARG 59 25.256 10.754 -29.677 962 2HG ARG 59 1HG ARG 59 23.635 10.164 -29.309 963 1HD ARG 59 2HD ARG 59 23.594 11.215 -27.284 964 2HD ARG 59 1HD ARG 59 25.274 10.770 -26.923 965 HE ARG 59 HE ARG 59 25.900 12.874 -27.782 966 1HH1 ARG 59 1HH2 ARG 59 22.902 13.613 -27.673 967 2HH1 ARG 59 2HH2 ARG 59 22.675 14.237 -29.272 968 1HH2 ARG 59 1HH1 ARG 59 25.630 12.894 -30.499 969 2HH2 ARG 59 2HH1 ARG 59 24.221 13.830 -30.875 970 H ALA 60 H ALA 60 23.738 6.024 -26.424 971 HA ALA 60 HA ALA 60 22.139 5.119 -28.796 972 1HB ALA 60 1HB ALA 60 24.212 3.677 -27.123 973 2HB ALA 60 2HB ALA 60 24.265 3.998 -28.855 974 3HB ALA 60 3HB ALA 60 23.110 2.833 -28.210 Start of MODEL 5 1 1H MET 1 1HT MET 1 -25.010 -14.015 2.903 2 2H MET 1 2HT MET 1 -25.794 -14.146 4.405 3 3H MET 1 3HT MET 1 -24.410 -13.172 4.248 4 HA MET 1 HA MET 1 -26.997 -12.662 2.867 5 1HB MET 1 2HB MET 1 -25.779 -11.886 5.493 6 2HB MET 1 1HB MET 1 -26.783 -10.703 4.654 7 1HG MET 1 2HG MET 1 -27.655 -13.541 5.259 8 2HG MET 1 1HG MET 1 -28.073 -12.145 6.253 9 1HE MET 1 1HE MET 1 -29.311 -10.520 5.942 10 2HE MET 1 2HE MET 1 -30.829 -10.583 5.050 11 3HE MET 1 3HE MET 1 -29.451 -9.724 4.369 12 H GLY 2 H GLY 2 -24.384 -12.724 1.607 13 1HA GLY 2 2HA GLY 2 -22.955 -10.317 1.562 14 2HA GLY 2 1HA GLY 2 -23.165 -11.345 0.146 15 HA PRO 3 HA PRO 3 -26.239 -7.633 0.161 16 1HB PRO 3 2HB PRO 3 -24.816 -5.314 0.373 17 2HB PRO 3 1HB PRO 3 -25.501 -6.142 1.787 18 1HG PRO 3 2HG PRO 3 -22.707 -6.127 0.769 19 2HG PRO 3 1HG PRO 3 -23.302 -6.104 2.439 20 1HD PRO 3 2HD PRO 3 -22.337 -8.343 1.186 21 2HD PRO 3 1HD PRO 3 -23.496 -8.380 2.533 22 H LEU 4 H LEU 4 -22.863 -7.254 -0.910 23 HA LEU 4 HA LEU 4 -23.777 -7.074 -3.740 24 1HB LEU 4 2HB LEU 4 -23.304 -4.854 -2.195 25 2HB LEU 4 1HB LEU 4 -21.713 -5.131 -2.897 26 HG LEU 4 HG LEU 4 -22.723 -5.189 -5.158 27 1HD1 LEU 4 1HD1 LEU 4 -24.929 -5.969 -4.781 28 2HD1 LEU 4 2HD1 LEU 4 -25.139 -4.284 -5.256 29 3HD1 LEU 4 3HD1 LEU 4 -25.243 -4.741 -3.556 30 1HD2 LEU 4 1HD2 LEU 4 -23.163 -2.811 -5.333 31 2HD2 LEU 4 2HD2 LEU 4 -21.919 -3.041 -4.105 32 3HD2 LEU 4 3HD2 LEU 4 -23.584 -2.718 -3.624 33 H GLN 5 H GLN 5 -21.460 -6.691 -5.029 34 HA GLN 5 HA GLN 5 -19.991 -9.063 -4.950 35 1HB GLN 5 2HB GLN 5 -18.256 -7.730 -6.120 36 2HB GLN 5 1HB GLN 5 -19.869 -7.292 -6.686 37 1HG GLN 5 2HG GLN 5 -19.889 -5.360 -5.158 38 2HG GLN 5 1HG GLN 5 -18.281 -5.795 -4.580 39 1HE2 GLN 5 1HE2 GLN 5 -16.989 -6.470 -6.991 40 2HE2 GLN 5 2HE2 GLN 5 -16.917 -5.103 -7.995 41 H TYR 6 H TYR 6 -19.821 -6.300 -2.824 42 HA TYR 6 HA TYR 6 -18.546 -5.881 -0.888 43 1HB TYR 6 2HB TYR 6 -19.649 -8.368 -0.821 44 2HB TYR 6 1HB TYR 6 -17.944 -8.770 -0.615 45 HD1 TYR 6 1HD TYR 6 -20.602 -6.472 0.681 46 HD2 TYR 6 2HD TYR 6 -16.917 -8.531 1.482 47 HE1 TYR 6 1HE TYR 6 -20.711 -5.745 3.049 48 HE2 TYR 6 2HE TYR 6 -17.026 -7.804 3.850 49 HH TYR 6 HH TYR 6 -18.210 -6.739 5.391 50 H LYS 7 H LYS 7 -16.307 -6.520 0.169 51 HA LYS 7 HA LYS 7 -13.959 -6.690 -0.051 52 1HB LYS 7 2HB LYS 7 -14.868 -8.797 -1.277 53 2HB LYS 7 1HB LYS 7 -14.488 -7.913 -2.757 54 1HG LYS 7 2HG LYS 7 -12.416 -8.817 -2.502 55 2HG LYS 7 1HG LYS 7 -12.196 -7.538 -1.309 56 1HD LYS 7 2HD LYS 7 -13.377 -9.297 0.294 57 2HD LYS 7 1HD LYS 7 -12.746 -10.448 -0.885 58 1HE LYS 7 2HE LYS 7 -10.533 -8.931 -0.546 59 2HE LYS 7 1HE LYS 7 -11.270 -8.742 1.057 60 1HZ LYS 7 1HZ LYS 7 -10.609 -11.264 -0.352 61 2HZ LYS 7 2HZ LYS 7 -11.654 -11.213 0.987 62 3HZ LYS 7 3HZ LYS 7 -10.032 -10.734 1.151 63 H ASP 8 H ASP 8 -12.206 -5.606 -1.209 64 HA ASP 8 HA ASP 8 -13.176 -3.331 -2.862 65 1HB ASP 8 2HB ASP 8 -10.707 -4.008 -1.266 66 2HB ASP 8 1HB ASP 8 -10.703 -2.655 -2.397 67 H LEU 9 H LEU 9 -11.876 -2.749 -4.808 68 HA LEU 9 HA LEU 9 -11.162 -5.167 -6.362 69 1HB LEU 9 2HB LEU 9 -11.418 -2.228 -7.081 70 2HB LEU 9 1HB LEU 9 -11.238 -3.549 -8.237 71 HG LEU 9 HG LEU 9 -13.462 -3.612 -6.212 72 1HD1 LEU 9 1HD1 LEU 9 -13.536 -1.407 -7.403 73 2HD1 LEU 9 2HD1 LEU 9 -14.918 -2.440 -7.769 74 3HD1 LEU 9 3HD1 LEU 9 -13.603 -2.281 -8.934 75 1HD2 LEU 9 1HD2 LEU 9 -14.268 -4.593 -8.703 76 2HD2 LEU 9 2HD2 LEU 9 -13.757 -5.561 -7.320 77 3HD2 LEU 9 3HD2 LEU 9 -12.587 -5.108 -8.560 78 H LYS 10 H LYS 10 -9.246 -4.410 -8.066 79 HA LYS 10 HA LYS 10 -6.869 -4.084 -6.338 80 1HB LYS 10 2HB LYS 10 -5.696 -4.844 -8.328 81 2HB LYS 10 1HB LYS 10 -7.134 -5.844 -8.118 82 1HG LYS 10 2HG LYS 10 -8.285 -4.078 -9.659 83 2HG LYS 10 1HG LYS 10 -6.637 -3.655 -10.118 84 1HD LYS 10 2HD LYS 10 -6.475 -5.472 -11.435 85 2HD LYS 10 1HD LYS 10 -6.954 -6.527 -10.104 86 1HE LYS 10 2HE LYS 10 -9.119 -6.651 -10.829 87 2HE LYS 10 1HE LYS 10 -9.161 -4.935 -11.281 88 1HZ LYS 10 1HZ LYS 10 -7.602 -5.531 -13.125 89 2HZ LYS 10 2HZ LYS 10 -9.166 -6.176 -13.292 90 3HZ LYS 10 3HZ LYS 10 -7.887 -7.165 -12.771 91 H ILE 11 H ILE 11 -8.888 -1.879 -7.431 92 HA ILE 11 HA ILE 11 -6.790 -0.037 -8.512 93 HB ILE 11 HB ILE 11 -8.510 0.981 -9.755 94 1HG1 ILE 11 2HG1 ILE 11 -10.996 0.174 -8.984 95 2HG1 ILE 11 1HG1 ILE 11 -10.167 0.174 -7.426 96 1HG2 ILE 11 1HG2 ILE 11 -8.206 -1.345 -10.495 97 2HG2 ILE 11 2HG2 ILE 11 -9.878 -0.831 -10.715 98 3HG2 ILE 11 3HG2 ILE 11 -9.446 -1.867 -9.355 99 1HD1 ILE 11 1HD1 ILE 11 -10.179 2.425 -7.348 100 2HD1 ILE 11 2HD1 ILE 11 -11.211 2.410 -8.777 101 3HD1 ILE 11 3HD1 ILE 11 -9.461 2.535 -8.954 102 H ASP 12 H ASP 12 -8.363 -0.821 -5.718 103 HA ASP 12 HA ASP 12 -9.082 1.783 -4.729 104 1HB ASP 12 2HB ASP 12 -9.448 -0.871 -4.035 105 2HB ASP 12 1HB ASP 12 -8.374 -0.282 -2.766 106 H ILE 13 H ILE 13 -6.301 -0.378 -4.055 107 HA ILE 13 HA ILE 13 -4.175 0.119 -3.142 108 HB ILE 13 HB ILE 13 -4.823 2.745 -4.525 109 1HG1 ILE 13 2HG1 ILE 13 -3.216 0.533 -5.756 110 2HG1 ILE 13 1HG1 ILE 13 -4.975 0.400 -5.761 111 1HG2 ILE 13 1HG2 ILE 13 -2.413 3.008 -4.703 112 2HG2 ILE 13 2HG2 ILE 13 -2.149 1.427 -3.967 113 3HG2 ILE 13 3HG2 ILE 13 -2.823 2.745 -3.008 114 1HD1 ILE 13 1HD1 ILE 13 -3.238 2.486 -7.062 115 2HD1 ILE 13 2HD1 ILE 13 -4.915 2.851 -6.655 116 3HD1 ILE 13 3HD1 ILE 13 -4.545 1.535 -7.769 117 H LYS 14 H LYS 14 -5.444 0.128 -0.992 118 HA LYS 14 HA LYS 14 -5.226 2.841 0.269 119 1HB LYS 14 2HB LYS 14 -7.550 1.596 -0.308 120 2HB LYS 14 1HB LYS 14 -7.216 0.856 1.260 121 1HG LYS 14 2HG LYS 14 -8.549 2.900 1.551 122 2HG LYS 14 1HG LYS 14 -6.944 3.111 2.252 123 1HD LYS 14 2HD LYS 14 -6.776 4.976 0.990 124 2HD LYS 14 1HD LYS 14 -6.615 3.900 -0.398 125 1HE LYS 14 2HE LYS 14 -9.385 4.010 0.144 126 2HE LYS 14 1HE LYS 14 -8.800 5.684 0.246 127 1HZ LYS 14 1HZ LYS 14 -7.811 3.933 -1.900 128 2HZ LYS 14 2HZ LYS 14 -7.958 5.626 -1.876 129 3HZ LYS 14 3HZ LYS 14 -9.337 4.653 -2.068 130 H THR 15 H THR 15 -3.184 2.332 1.202 131 HA THR 15 HA THR 15 -1.684 1.330 2.719 132 HB THR 15 HB THR 15 -2.925 0.814 4.903 133 HG1 THR 15 1HG THR 15 -5.085 2.160 3.831 134 1HG2 THR 15 1HG2 THR 15 -2.927 3.425 3.429 135 2HG2 THR 15 2HG2 THR 15 -1.943 2.924 4.804 136 3HG2 THR 15 3HG2 THR 15 -3.644 3.326 5.038 137 H SER 16 H SER 16 -0.853 -0.627 1.925 138 HA SER 16 HA SER 16 -2.400 -2.977 1.458 139 1HB SER 16 2HB SER 16 0.564 -2.561 1.927 140 2HB SER 16 1HB SER 16 -0.147 -4.020 1.262 141 HG SER 16 HG SER 16 -0.808 -2.898 -0.496 142 HA PRO 17 HA PRO 17 0.842 -4.042 2.741 143 1HB PRO 17 2HB PRO 17 2.012 -5.338 4.784 144 2HB PRO 17 1HB PRO 17 1.832 -3.586 4.787 145 1HG PRO 17 2HG PRO 17 0.608 -5.502 6.510 146 2HG PRO 17 1HG PRO 17 0.424 -3.745 6.526 147 1HD PRO 17 2HD PRO 17 -1.287 -5.787 5.249 148 2HD PRO 17 1HD PRO 17 -1.693 -4.213 5.916 149 HA PRO 18 HA PRO 18 -0.824 -8.518 3.363 150 1HB PRO 18 2HB PRO 18 -2.457 -8.849 1.171 151 2HB PRO 18 1HB PRO 18 -3.000 -8.342 2.793 152 1HG PRO 18 2HG PRO 18 -2.428 -6.647 0.409 153 2HG PRO 18 1HG PRO 18 -3.776 -6.577 1.551 154 1HD PRO 18 2HD PRO 18 -1.691 -4.903 1.760 155 2HD PRO 18 1HD PRO 18 -2.530 -5.534 3.191 156 HA PRO 19 HA PRO 19 1.484 -9.195 -0.766 157 1HB PRO 19 2HB PRO 19 2.695 -6.989 -1.850 158 2HB PRO 19 1HB PRO 19 1.082 -7.530 -2.360 159 1HG PRO 19 2HG PRO 19 1.837 -5.351 -0.472 160 2HG PRO 19 1HG PRO 19 0.569 -5.382 -1.709 161 1HD PRO 19 2HD PRO 19 0.057 -5.740 0.920 162 2HD PRO 19 1HD PRO 19 -0.905 -6.498 -0.358 163 H GLU 20 H GLU 20 2.358 -9.671 1.515 164 HA GLU 20 HA GLU 20 4.192 -8.183 2.996 165 1HB GLU 20 2HB GLU 20 5.036 -10.568 3.588 166 2HB GLU 20 1HB GLU 20 3.353 -10.161 3.911 167 1HG GLU 20 2HG GLU 20 2.567 -11.442 2.123 168 2HG GLU 20 1HG GLU 20 4.099 -11.349 1.253 169 H CYS 21 H CYS 21 5.271 -7.395 0.570 170 HA CYS 21 HA CYS 21 7.583 -9.134 0.001 171 1HB CYS 21 2HB CYS 21 8.121 -6.698 -1.244 172 2HB CYS 21 1HB CYS 21 7.402 -8.109 -1.996 173 HG CYS 21 HG CYS 21 5.078 -7.059 -1.789 174 H ILE 22 H ILE 22 6.868 -6.258 1.880 175 HA ILE 22 HA ILE 22 9.682 -5.650 2.461 176 HB ILE 22 HB ILE 22 7.125 -4.852 3.891 177 1HG1 ILE 22 2HG1 ILE 22 6.629 -3.592 2.130 178 2HG1 ILE 22 1HG1 ILE 22 8.075 -2.652 2.430 179 1HG2 ILE 22 1HG2 ILE 22 8.711 -4.155 5.356 180 2HG2 ILE 22 2HG2 ILE 22 8.813 -2.795 4.238 181 3HG2 ILE 22 3HG2 ILE 22 9.980 -4.110 4.131 182 1HD1 ILE 22 1HD1 ILE 22 8.370 -3.301 0.195 183 2HD1 ILE 22 2HD1 ILE 22 7.654 -4.891 0.458 184 3HD1 ILE 22 3HD1 ILE 22 9.274 -4.541 1.057 185 H ASN 23 H ASN 23 6.954 -6.815 4.458 186 HA ASN 23 HA ASN 23 8.613 -7.520 6.687 187 1HB ASN 23 2HB ASN 23 6.669 -8.729 7.450 188 2HB ASN 23 1HB ASN 23 6.121 -7.247 6.672 189 1HD2 ASN 23 1HD2 ASN 23 5.074 -10.252 6.964 190 2HD2 ASN 23 2HD2 ASN 23 4.500 -10.572 5.402 191 H ASP 24 H ASP 24 7.345 -9.608 4.022 192 HA ASP 24 HA ASP 24 8.650 -12.002 4.805 193 1HB ASP 24 2HB ASP 24 6.983 -11.625 2.928 194 2HB ASP 24 1HB ASP 24 8.299 -10.904 1.997 195 H LEU 25 H LEU 25 9.791 -8.995 3.577 196 HA LEU 25 HA LEU 25 12.397 -10.001 2.761 197 1HB LEU 25 2HB LEU 25 11.744 -8.243 1.452 198 2HB LEU 25 1HB LEU 25 10.841 -7.478 2.724 199 HG LEU 25 HG LEU 25 13.480 -7.339 3.639 200 1HD1 LEU 25 1HD1 LEU 25 13.668 -7.857 0.933 201 2HD1 LEU 25 2HD1 LEU 25 14.922 -7.192 1.982 202 3HD1 LEU 25 3HD1 LEU 25 13.863 -6.113 1.074 203 1HD2 LEU 25 1HD2 LEU 25 12.242 -5.458 4.030 204 2HD2 LEU 25 2HD2 LEU 25 11.524 -5.463 2.416 205 3HD2 LEU 25 3HD2 LEU 25 13.179 -4.899 2.645 206 H LEU 26 H LEU 26 11.302 -7.454 4.834 207 HA LEU 26 HA LEU 26 13.700 -7.183 6.241 208 1HB LEU 26 2HB LEU 26 12.275 -5.344 6.007 209 2HB LEU 26 1HB LEU 26 10.867 -6.275 6.484 210 HG LEU 26 HG LEU 26 11.786 -6.506 8.735 211 1HD1 LEU 26 1HD1 LEU 26 13.692 -4.511 8.804 212 2HD1 LEU 26 2HD1 LEU 26 14.074 -5.377 7.328 213 3HD1 LEU 26 3HD1 LEU 26 14.023 -6.231 8.872 214 1HD2 LEU 26 1HD2 LEU 26 11.949 -3.587 8.381 215 2HD2 LEU 26 2HD2 LEU 26 10.836 -4.533 9.367 216 3HD2 LEU 26 3HD2 LEU 26 10.533 -4.320 7.642 217 H GLN 27 H GLN 27 11.218 -9.515 6.620 218 HA GLN 27 HA GLN 27 11.317 -9.836 9.465 219 1HB GLN 27 2HB GLN 27 10.577 -11.516 7.064 220 2HB GLN 27 1HB GLN 27 10.449 -12.140 8.701 221 1HG GLN 27 2HG GLN 27 9.295 -9.458 8.294 222 2HG GLN 27 1HG GLN 27 8.464 -10.762 7.453 223 1HE2 GLN 27 1HE2 GLN 27 7.590 -9.166 9.845 224 2HE2 GLN 27 2HE2 GLN 27 7.271 -10.307 11.052 225 H ALA 28 H ALA 28 13.605 -10.226 7.002 226 HA ALA 28 HA ALA 28 15.087 -12.307 8.508 227 1HB ALA 28 1HB ALA 28 14.230 -12.177 5.887 228 2HB ALA 28 2HB ALA 28 15.505 -13.238 6.488 229 3HB ALA 28 3HB ALA 28 15.921 -11.680 5.770 230 H VAL 29 H VAL 29 15.284 -8.919 7.297 231 HA VAL 29 HA VAL 29 18.184 -9.032 8.038 232 HB VAL 29 HB VAL 29 18.096 -8.215 5.877 233 1HG1 VAL 29 1HG1 VAL 29 16.289 -6.726 5.032 234 2HG1 VAL 29 2HG1 VAL 29 15.493 -6.861 6.597 235 3HG1 VAL 29 3HG1 VAL 29 15.702 -8.291 5.584 236 1HG2 VAL 29 1HG2 VAL 29 17.533 -5.642 7.365 237 2HG2 VAL 29 2HG2 VAL 29 18.480 -5.841 5.892 238 3HG2 VAL 29 3HG2 VAL 29 19.085 -6.475 7.423 239 H ASP 30 H ASP 30 15.564 -8.594 9.712 240 HA ASP 30 HA ASP 30 15.021 -7.220 11.587 241 1HB ASP 30 2HB ASP 30 17.942 -7.739 11.373 242 2HB ASP 30 1HB ASP 30 17.429 -6.608 12.606 243 H SER 31 H SER 31 14.138 -5.289 10.497 244 HA SER 31 HA SER 31 15.954 -2.999 10.752 245 1HB SER 31 2HB SER 31 16.160 -4.660 8.613 246 2HB SER 31 1HB SER 31 15.018 -3.520 7.978 247 HG SER 31 HG SER 31 17.625 -3.122 8.992 248 H GLN 32 H GLN 32 13.777 -2.905 12.126 249 HA GLN 32 HA GLN 32 11.232 -2.493 11.095 250 1HB GLN 32 2HB GLN 32 12.404 -2.264 13.499 251 2HB GLN 32 1HB GLN 32 12.271 -0.548 13.109 252 1HG GLN 32 2HG GLN 32 10.019 -0.553 13.374 253 2HG GLN 32 1HG GLN 32 9.839 -2.067 12.487 254 1HE2 GLN 32 1HE2 GLN 32 9.707 -4.015 13.679 255 2HE2 GLN 32 2HE2 GLN 32 9.711 -4.063 15.372 256 H GLU 33 H GLU 33 14.052 -0.483 10.609 257 HA GLU 33 HA GLU 33 12.734 1.974 9.971 258 1HB GLU 33 2HB GLU 33 15.219 0.754 8.736 259 2HB GLU 33 1HB GLU 33 14.830 2.469 8.855 260 1HG GLU 33 2HG GLU 33 14.664 1.919 11.441 261 2HG GLU 33 1HG GLU 33 15.724 0.581 10.999 262 H VAL 34 H VAL 34 13.232 -1.028 8.199 263 HA VAL 34 HA VAL 34 12.284 0.081 5.658 264 HB VAL 34 HB VAL 34 13.541 -2.354 6.712 265 1HG1 VAL 34 1HG1 VAL 34 11.144 -2.640 4.899 266 2HG1 VAL 34 2HG1 VAL 34 11.592 -3.608 6.296 267 3HG1 VAL 34 3HG1 VAL 34 12.495 -3.768 4.794 268 1HG2 VAL 34 1HG2 VAL 34 14.039 -2.480 4.137 269 2HG2 VAL 34 2HG2 VAL 34 14.737 -1.166 5.085 270 3HG2 VAL 34 3HG2 VAL 34 13.304 -0.883 4.097 271 H ARG 35 H ARG 35 10.937 -1.816 8.360 272 HA ARG 35 HA ARG 35 8.309 -2.121 7.079 273 1HB ARG 35 2HB ARG 35 9.789 -2.989 9.396 274 2HB ARG 35 1HB ARG 35 8.199 -2.418 9.880 275 1HG ARG 35 2HG ARG 35 7.572 -3.893 7.670 276 2HG ARG 35 1HG ARG 35 8.935 -4.807 8.316 277 1HD ARG 35 2HD ARG 35 7.870 -4.983 10.489 278 2HD ARG 35 1HD ARG 35 6.550 -3.928 9.954 279 HE ARG 35 HE ARG 35 6.622 -5.958 8.051 280 1HH1 ARG 35 1HH2 ARG 35 7.035 -6.353 11.404 281 2HH1 ARG 35 2HH2 ARG 35 5.771 -7.522 11.578 282 1HH2 ARG 35 1HH1 ARG 35 4.670 -7.216 8.304 283 2HH2 ARG 35 2HH1 ARG 35 4.431 -8.010 9.825 284 H ASP 36 H ASP 36 9.769 -0.193 9.703 285 HA ASP 36 HA ASP 36 7.531 1.391 10.425 286 1HB ASP 36 2HB ASP 36 9.955 1.199 11.397 287 2HB ASP 36 1HB ASP 36 10.379 2.396 10.180 288 H TYR 37 H TYR 37 9.676 1.323 7.751 289 HA TYR 37 HA TYR 37 8.946 3.853 6.549 290 1HB TYR 37 2HB TYR 37 11.073 3.112 6.024 291 2HB TYR 37 1HB TYR 37 10.599 1.420 5.981 292 HD1 TYR 37 1HD TYR 37 10.949 4.490 4.050 293 HD2 TYR 37 2HD TYR 37 9.238 0.558 4.117 294 HE1 TYR 37 1HE TYR 37 10.471 4.651 1.621 295 HE2 TYR 37 2HE TYR 37 8.743 0.707 1.721 296 HH TYR 37 HH TYR 37 8.352 2.755 0.046 297 H CYS 38 H CYS 38 8.460 0.408 5.892 298 HA CYS 38 HA CYS 38 6.675 0.495 3.758 299 1HB CYS 38 2HB CYS 38 7.849 -1.430 4.919 300 2HB CYS 38 1HB CYS 38 6.616 -1.337 6.153 301 HG CYS 38 HG CYS 38 6.037 -2.122 3.194 302 H GLU 39 H GLU 39 5.875 0.507 7.251 303 HA GLU 39 HA GLU 39 3.039 0.983 6.771 304 1HB GLU 39 2HB GLU 39 3.133 1.388 9.271 305 2HB GLU 39 1HB GLU 39 3.871 -0.144 8.790 306 1HG GLU 39 2HG GLU 39 5.815 0.512 9.709 307 2HG GLU 39 1HG GLU 39 5.870 1.867 8.574 308 H LYS 40 H LYS 40 5.872 2.881 6.577 309 HA LYS 40 HA LYS 40 4.546 5.402 7.340 310 1HB LYS 40 2HB LYS 40 6.958 5.125 7.784 311 2HB LYS 40 1HB LYS 40 7.239 4.724 6.087 312 1HG LYS 40 2HG LYS 40 6.682 6.917 5.361 313 2HG LYS 40 1HG LYS 40 6.021 7.350 6.937 314 1HD LYS 40 2HD LYS 40 8.065 7.870 7.764 315 2HD LYS 40 1HD LYS 40 8.790 6.414 7.080 316 1HE LYS 40 2HE LYS 40 9.427 7.482 5.135 317 2HE LYS 40 1HE LYS 40 8.032 8.580 5.163 318 1HZ LYS 40 1HZ LYS 40 10.331 8.668 7.048 319 2HZ LYS 40 2HZ LYS 40 8.991 9.714 7.062 320 3HZ LYS 40 3HZ LYS 40 10.081 9.742 5.760 321 H LYS 41 H LYS 41 5.484 3.408 4.709 322 HA LYS 41 HA LYS 41 5.001 5.144 2.497 323 1HB LYS 41 2HB LYS 41 4.784 2.158 2.821 324 2HB LYS 41 1HB LYS 41 5.031 3.010 1.320 325 1HG LYS 41 2HG LYS 41 6.919 2.280 3.417 326 2HG LYS 41 1HG LYS 41 7.181 2.491 1.696 327 1HD LYS 41 2HD LYS 41 6.694 4.885 3.441 328 2HD LYS 41 1HD LYS 41 8.253 4.172 3.308 329 1HE LYS 41 2HE LYS 41 8.385 4.577 0.970 330 2HE LYS 41 1HE LYS 41 6.648 4.891 0.879 331 1HZ LYS 41 1HZ LYS 41 7.449 7.022 1.028 332 2HZ LYS 41 2HZ LYS 41 8.782 6.583 1.985 333 3HZ LYS 41 3HZ LYS 41 7.231 6.673 2.673 334 H GLY 42 H GLY 42 3.350 2.382 3.825 335 1HA GLY 42 2HA GLY 42 0.932 2.899 4.448 336 2HA GLY 42 1HA GLY 42 0.760 3.335 2.766 337 H TRP 43 H TRP 43 2.150 0.647 4.618 338 HA TRP 43 HA TRP 43 0.469 -1.227 3.022 339 1HB TRP 43 2HB TRP 43 2.974 -2.179 4.297 340 2HB TRP 43 1HB TRP 43 2.145 -2.825 2.942 341 HD1 TRP 43 HD TRP 43 3.163 0.804 3.058 342 HE1 TRP 43 1HE TRP 43 4.923 1.196 1.392 343 HE3 TRP 43 3HE TRP 43 4.119 -3.956 1.456 344 HZ2 TRP 43 2HZ TRP 43 6.659 -0.078 -0.320 345 HZ3 TRP 43 3HZ TRP 43 5.887 -4.316 -0.206 346 HH2 TRP 43 HH TRP 43 7.166 -2.396 -1.135 347 H ILE 44 H ILE 44 2.471 -0.607 5.637 348 HA ILE 44 HA ILE 44 2.116 -0.630 7.882 349 HB ILE 44 HB ILE 44 -0.424 -2.130 7.389 350 1HG1 ILE 44 2HG1 ILE 44 -0.475 0.825 7.613 351 2HG1 ILE 44 1HG1 ILE 44 0.075 0.180 6.086 352 1HG2 ILE 44 1HG2 ILE 44 -0.203 -1.968 9.691 353 2HG2 ILE 44 2HG2 ILE 44 -0.889 -0.369 9.406 354 3HG2 ILE 44 3HG2 ILE 44 0.859 -0.561 9.584 355 1HD1 ILE 44 1HD1 ILE 44 -2.550 0.526 6.692 356 2HD1 ILE 44 2HD1 ILE 44 -2.313 -1.141 7.216 357 3HD1 ILE 44 3HD1 ILE 44 -1.964 -0.685 5.546 358 H VAL 45 H VAL 45 2.896 -2.889 6.013 359 HA VAL 45 HA VAL 45 2.555 -5.448 6.561 360 HB VAL 45 HB VAL 45 5.100 -5.617 6.632 361 1HG1 VAL 45 1HG1 VAL 45 3.836 -5.683 4.546 362 2HG1 VAL 45 2HG1 VAL 45 5.311 -4.741 4.324 363 3HG1 VAL 45 3HG1 VAL 45 3.764 -3.921 4.523 364 1HG2 VAL 45 1HG2 VAL 45 6.314 -3.507 6.226 365 2HG2 VAL 45 2HG2 VAL 45 5.516 -3.494 7.800 366 3HG2 VAL 45 3HG2 VAL 45 4.808 -2.616 6.446 367 H ASN 46 H ASN 46 1.560 -5.919 8.553 368 HA ASN 46 HA ASN 46 3.209 -6.738 10.728 369 1HB ASN 46 2HB ASN 46 3.611 -4.379 11.072 370 2HB ASN 46 1HB ASN 46 1.892 -4.013 10.926 371 1HD2 ASN 46 1HD2 ASN 46 1.754 -3.122 13.093 372 2HD2 ASN 46 2HD2 ASN 46 1.869 -4.106 14.470 373 H ILE 47 H ILE 47 1.112 -7.965 9.418 374 HA ILE 47 HA ILE 47 -1.022 -8.933 9.703 375 HB ILE 47 HB ILE 47 0.699 -9.377 11.804 376 1HG1 ILE 47 2HG1 ILE 47 -2.103 -10.502 11.528 377 2HG1 ILE 47 1HG1 ILE 47 -0.723 -11.007 10.553 378 1HG2 ILE 47 1HG2 ILE 47 -1.933 -8.907 13.175 379 2HG2 ILE 47 2HG2 ILE 47 -0.788 -7.575 13.022 380 3HG2 ILE 47 3HG2 ILE 47 -0.321 -9.046 13.876 381 1HD1 ILE 47 1HD1 ILE 47 -1.412 -11.717 13.313 382 2HD1 ILE 47 2HD1 ILE 47 0.257 -11.174 13.137 383 3HD1 ILE 47 3HD1 ILE 47 -0.335 -12.532 12.179 384 H THR 48 H THR 48 -3.021 -8.665 11.552 385 HA THR 48 HA THR 48 -3.537 -5.778 12.000 386 HB THR 48 HB THR 48 -4.994 -7.576 10.052 387 HG1 THR 48 1HG THR 48 -4.671 -5.503 8.849 388 1HG2 THR 48 1HG2 THR 48 -5.905 -4.944 11.246 389 2HG2 THR 48 2HG2 THR 48 -6.701 -6.509 11.422 390 3HG2 THR 48 3HG2 THR 48 -6.648 -5.718 9.846 391 H SER 49 H SER 49 -3.756 -6.313 14.245 392 HA SER 49 HA SER 49 -6.383 -7.171 15.078 393 1HB SER 49 2HB SER 49 -5.552 -9.353 14.419 394 2HB SER 49 1HB SER 49 -4.053 -9.100 15.310 395 HG SER 49 HG SER 49 -6.181 -10.236 16.211 396 H GLN 50 H GLN 50 -2.965 -7.202 16.173 397 HA GLN 50 HA GLN 50 -3.732 -6.313 18.868 398 1HB GLN 50 2HB GLN 50 -1.774 -7.861 17.973 399 2HB GLN 50 1HB GLN 50 -0.932 -6.320 17.788 400 1HG GLN 50 2HG GLN 50 -2.001 -6.021 20.279 401 2HG GLN 50 1HG GLN 50 -1.706 -7.760 20.252 402 1HE2 GLN 50 1HE2 GLN 50 0.484 -8.487 20.308 403 2HE2 GLN 50 2HE2 GLN 50 1.807 -7.430 20.428 404 H VAL 51 H VAL 51 -4.707 -4.380 17.206 405 HA VAL 51 HA VAL 51 -2.794 -2.113 17.623 406 HB VAL 51 HB VAL 51 -2.749 -2.816 15.279 407 1HG1 VAL 51 1HG1 VAL 51 -5.576 -3.207 15.790 408 2HG1 VAL 51 2HG1 VAL 51 -4.596 -3.807 14.452 409 3HG1 VAL 51 3HG1 VAL 51 -5.337 -2.209 14.355 410 1HG2 VAL 51 1HG2 VAL 51 -3.023 -0.698 14.372 411 2HG2 VAL 51 2HG2 VAL 51 -3.044 -0.294 16.088 412 3HG2 VAL 51 3HG2 VAL 51 -4.559 -0.432 15.196 413 H GLN 52 H GLN 52 -3.950 0.010 17.703 414 HA GLN 52 HA GLN 52 -6.874 -0.094 18.159 415 1HB GLN 52 2HB GLN 52 -6.391 1.043 20.441 416 2HB GLN 52 1HB GLN 52 -6.135 -0.698 20.327 417 1HG GLN 52 2HG GLN 52 -3.888 -0.508 20.583 418 2HG GLN 52 1HG GLN 52 -3.802 0.912 19.541 419 1HE2 GLN 52 1HE2 GLN 52 -3.349 -0.031 22.711 420 2HE2 GLN 52 2HE2 GLN 52 -3.618 1.457 23.481 421 H THR 53 H THR 53 -7.384 1.558 16.750 422 HA THR 53 HA THR 53 -6.404 4.271 17.377 423 HB THR 53 HB THR 53 -4.668 3.382 15.907 424 HG1 THR 53 1HG THR 53 -4.699 5.079 14.642 425 1HG2 THR 53 1HG2 THR 53 -5.942 1.551 14.910 426 2HG2 THR 53 2HG2 THR 53 -5.270 2.569 13.635 427 3HG2 THR 53 3HG2 THR 53 -6.975 2.703 14.064 428 H GLU 54 H GLU 54 -7.781 5.896 16.433 429 HA GLU 54 HA GLU 54 -10.115 4.936 14.842 430 1HB GLU 54 2HB GLU 54 -10.468 4.891 17.393 431 2HB GLU 54 1HB GLU 54 -10.400 6.651 17.318 432 1HG GLU 54 2HG GLU 54 -12.370 6.812 16.085 433 2HG GLU 54 1HG GLU 54 -12.224 5.174 15.447 434 H ARG 55 H ARG 55 -9.252 7.942 16.587 435 HA ARG 55 HA ARG 55 -8.524 9.411 14.205 436 1HB ARG 55 2HB ARG 55 -10.988 8.931 13.893 437 2HB ARG 55 1HB ARG 55 -11.296 9.911 15.327 438 1HG ARG 55 2HG ARG 55 -11.480 11.583 13.767 439 2HG ARG 55 1HG ARG 55 -9.728 11.626 13.961 440 1HD ARG 55 2HD ARG 55 -9.399 10.240 12.004 441 2HD ARG 55 1HD ARG 55 -11.143 9.931 11.875 442 HE ARG 55 HE ARG 55 -10.369 12.773 11.857 443 1HH1 ARG 55 1HH1 ARG 55 -9.937 10.263 9.699 444 2HH1 ARG 55 2HH1 ARG 55 -10.899 10.944 8.429 445 1HH2 ARG 55 1HH2 ARG 55 -12.140 13.520 10.391 446 2HH2 ARG 55 2HH2 ARG 55 -12.146 12.787 8.822 447 H ASN 56 H ASN 56 -7.045 10.721 15.214 448 HA ASN 56 HA ASN 56 -6.155 12.305 16.724 449 1HB ASN 56 2HB ASN 56 -9.104 12.841 17.197 450 2HB ASN 56 1HB ASN 56 -7.774 13.980 17.418 451 1HD2 ASN 56 1HD2 ASN 56 -10.210 13.777 15.421 452 2HD2 ASN 56 2HD2 ASN 56 -9.487 14.102 13.921 453 H ILE 57 H ILE 57 -6.954 13.179 19.198 454 HA ILE 57 HA ILE 57 -7.542 10.738 20.820 455 HB ILE 57 HB ILE 57 -5.581 11.388 22.251 456 1HG1 ILE 57 2HG1 ILE 57 -4.440 13.042 20.081 457 2HG1 ILE 57 1HG1 ILE 57 -5.769 13.793 20.963 458 1HG2 ILE 57 1HG2 ILE 57 -4.151 10.136 20.972 459 2HG2 ILE 57 2HG2 ILE 57 -4.414 11.121 19.532 460 3HG2 ILE 57 3HG2 ILE 57 -5.598 9.897 19.992 461 1HD1 ILE 57 1HD1 ILE 57 -4.293 12.693 23.004 462 2HD1 ILE 57 2HD1 ILE 57 -4.177 14.371 22.474 463 3HD1 ILE 57 3HD1 ILE 57 -3.035 13.173 21.864 464 H ASN 58 H ASN 58 -9.631 11.996 21.034 465 HA ASN 58 HA ASN 58 -9.612 14.576 22.392 466 1HB ASN 58 2HB ASN 58 -11.862 12.567 22.088 467 2HB ASN 58 1HB ASN 58 -12.005 14.317 22.262 468 1HD2 ASN 58 1HD2 ASN 58 -12.068 15.516 20.340 469 2HD2 ASN 58 2HD2 ASN 58 -11.660 14.903 18.810 470 H ARG 59 H ARG 59 -11.803 13.924 24.226 471 HA ARG 59 HA ARG 59 -10.357 12.297 26.290 472 1HB ARG 59 2HB ARG 59 -11.164 14.056 27.909 473 2HB ARG 59 1HB ARG 59 -10.011 14.666 26.720 474 1HG ARG 59 2HG ARG 59 -11.893 15.482 25.331 475 2HG ARG 59 1HG ARG 59 -13.030 14.909 26.551 476 1HD ARG 59 2HD ARG 59 -12.779 16.859 27.670 477 2HD ARG 59 1HD ARG 59 -11.052 16.502 27.879 478 HE ARG 59 HE ARG 59 -11.869 17.539 25.231 479 1HH1 ARG 59 1HH1 ARG 59 -9.512 17.525 27.583 480 2HH1 ARG 59 2HH1 ARG 59 -9.121 19.209 27.471 481 1HH2 ARG 59 1HH2 ARG 59 -11.798 19.963 25.402 482 2HH2 ARG 59 2HH2 ARG 59 -10.415 20.589 26.236 483 H ALA 60 H ALA 60 -12.058 10.733 25.240 484 HA ALA 60 HA ALA 60 -14.498 10.815 26.942 485 1HB ALA 60 1HB ALA 60 -14.911 10.104 24.090 486 2HB ALA 60 2HB ALA 60 -14.536 11.799 24.401 487 3HB ALA 60 3HB ALA 60 -15.936 11.049 25.169 488 1H MET 1 1HT MET 1 27.213 -44.668 -21.608 489 2H MET 1 2HT MET 1 28.099 -43.473 -20.786 490 3H MET 1 3HT MET 1 26.436 -43.261 -21.065 491 HA MET 1 HA MET 1 26.297 -45.519 -19.715 492 1HB MET 1 2HB MET 1 28.908 -45.280 -19.757 493 2HB MET 1 1HB MET 1 28.649 -44.126 -18.448 494 1HG MET 1 2HG MET 1 27.370 -45.859 -17.205 495 2HG MET 1 1HG MET 1 27.716 -47.013 -18.494 496 1HE MET 1 1HE MET 1 30.404 -48.792 -17.073 497 2HE MET 1 2HE MET 1 28.833 -48.660 -17.859 498 3HE MET 1 3HE MET 1 28.949 -48.513 -16.106 499 H GLY 2 H GLY 2 25.247 -45.156 -17.659 500 1HA GLY 2 2HA GLY 2 24.772 -43.605 -15.774 501 2HA GLY 2 1HA GLY 2 24.909 -42.275 -16.926 502 HA PRO 3 HA PRO 3 20.460 -43.671 -16.581 503 1HB PRO 3 2HB PRO 3 19.469 -41.423 -15.393 504 2HB PRO 3 1HB PRO 3 20.132 -42.776 -14.455 505 1HG PRO 3 2HG PRO 3 21.378 -40.173 -15.160 506 2HG PRO 3 1HG PRO 3 21.485 -41.105 -13.656 507 1HD PRO 3 2HD PRO 3 23.445 -41.053 -15.572 508 2HD PRO 3 1HD PRO 3 23.204 -42.394 -14.431 509 H LEU 4 H LEU 4 21.664 -40.356 -17.055 510 HA LEU 4 HA LEU 4 20.385 -40.228 -19.739 511 1HB LEU 4 2HB LEU 4 19.116 -39.361 -17.463 512 2HB LEU 4 1HB LEU 4 19.959 -37.897 -17.967 513 HG LEU 4 HG LEU 4 19.001 -38.472 -20.337 514 1HD1 LEU 4 1HD1 LEU 4 16.548 -39.465 -19.393 515 2HD1 LEU 4 2HD1 LEU 4 17.777 -40.473 -18.627 516 3HD1 LEU 4 3HD1 LEU 4 17.723 -40.330 -20.383 517 1HD2 LEU 4 1HD2 LEU 4 16.733 -37.409 -19.473 518 2HD2 LEU 4 2HD2 LEU 4 18.231 -36.478 -19.407 519 3HD2 LEU 4 3HD2 LEU 4 17.622 -37.273 -17.956 520 H GLN 5 H GLN 5 23.171 -40.338 -18.930 521 HA GLN 5 HA GLN 5 25.176 -39.206 -19.497 522 1HB GLN 5 2HB GLN 5 23.205 -38.224 -21.174 523 2HB GLN 5 1HB GLN 5 23.809 -36.756 -20.403 524 1HG GLN 5 2HG GLN 5 25.809 -36.878 -21.470 525 2HG GLN 5 1HG GLN 5 25.930 -38.621 -21.229 526 1HE2 GLN 5 1HE2 GLN 5 25.719 -36.391 -23.663 527 2HE2 GLN 5 2HE2 GLN 5 24.934 -37.324 -24.844 528 H TYR 6 H TYR 6 23.063 -38.500 -17.156 529 HA TYR 6 HA TYR 6 22.997 -37.041 -15.306 530 1HB TYR 6 2HB TYR 6 25.317 -38.448 -15.531 531 2HB TYR 6 1HB TYR 6 25.951 -36.804 -15.458 532 HD1 TYR 6 1HD TYR 6 23.489 -39.063 -13.748 533 HD2 TYR 6 2HD TYR 6 26.207 -35.754 -13.386 534 HE1 TYR 6 1HE TYR 6 23.110 -39.017 -11.298 535 HE2 TYR 6 2HE TYR 6 25.826 -35.708 -10.937 536 HH TYR 6 HH TYR 6 23.290 -37.233 -9.443 537 H LYS 7 H LYS 7 24.418 -34.921 -14.469 538 HA LYS 7 HA LYS 7 24.785 -32.615 -14.831 539 1HB LYS 7 2HB LYS 7 26.251 -33.992 -16.632 540 2HB LYS 7 1HB LYS 7 25.200 -33.108 -17.739 541 1HG LYS 7 2HG LYS 7 25.817 -30.990 -16.571 542 2HG LYS 7 1HG LYS 7 26.950 -31.905 -15.574 543 1HD LYS 7 2HD LYS 7 27.028 -31.741 -18.603 544 2HD LYS 7 1HD LYS 7 28.087 -30.849 -17.508 545 1HE LYS 7 2HE LYS 7 29.467 -32.665 -17.792 546 2HE LYS 7 1HE LYS 7 28.408 -33.411 -16.578 547 1HZ LYS 7 1HZ LYS 7 28.075 -34.891 -18.246 548 2HZ LYS 7 2HZ LYS 7 28.458 -33.779 -19.472 549 3HZ LYS 7 3HZ LYS 7 26.926 -33.744 -18.738 550 H ASP 8 H ASP 8 22.538 -32.061 -14.509 551 HA ASP 8 HA ASP 8 20.825 -31.919 -16.946 552 1HB ASP 8 2HB ASP 8 20.199 -31.420 -14.018 553 2HB ASP 8 1HB ASP 8 19.028 -31.652 -15.317 554 H LEU 9 H LEU 9 19.195 -29.788 -16.258 555 HA LEU 9 HA LEU 9 20.601 -27.503 -17.170 556 1HB LEU 9 2HB LEU 9 18.549 -26.326 -16.453 557 2HB LEU 9 1HB LEU 9 18.148 -27.864 -17.218 558 HG LEU 9 HG LEU 9 18.496 -28.557 -14.557 559 1HD1 LEU 9 1HD1 LEU 9 17.493 -26.951 -13.178 560 2HD1 LEU 9 2HD1 LEU 9 16.723 -26.126 -14.533 561 3HD1 LEU 9 3HD1 LEU 9 18.457 -25.948 -14.264 562 1HD2 LEU 9 1HD2 LEU 9 16.731 -29.294 -16.180 563 2HD2 LEU 9 2HD2 LEU 9 15.903 -27.758 -15.918 564 3HD2 LEU 9 3HD2 LEU 9 16.083 -28.901 -14.587 565 H LYS 10 H LYS 10 20.443 -25.374 -15.649 566 HA LYS 10 HA LYS 10 21.141 -25.810 -12.841 567 1HB LYS 10 2HB LYS 10 23.157 -26.531 -14.197 568 2HB LYS 10 1HB LYS 10 23.285 -24.867 -14.768 569 1HG LYS 10 2HG LYS 10 23.077 -25.309 -11.821 570 2HG LYS 10 1HG LYS 10 24.609 -25.695 -12.604 571 1HD LYS 10 2HD LYS 10 24.029 -23.282 -13.749 572 2HD LYS 10 1HD LYS 10 23.346 -23.067 -12.136 573 1HE LYS 10 2HE LYS 10 25.522 -23.810 -11.150 574 2HE LYS 10 1HE LYS 10 26.199 -23.887 -12.790 575 1HZ LYS 10 1HZ LYS 10 25.212 -21.534 -11.308 576 2HZ LYS 10 2HZ LYS 10 25.231 -21.532 -13.007 577 3HZ LYS 10 3HZ LYS 10 26.677 -21.728 -12.138 578 H ILE 11 H ILE 11 19.263 -24.204 -13.033 579 HA ILE 11 HA ILE 11 20.278 -21.489 -12.734 580 HB ILE 11 HB ILE 11 18.408 -20.913 -14.638 581 1HG1 ILE 11 2HG1 ILE 11 19.896 -23.367 -15.630 582 2HG1 ILE 11 1HG1 ILE 11 18.186 -23.343 -15.202 583 1HG2 ILE 11 1HG2 ILE 11 21.024 -21.384 -15.824 584 2HG2 ILE 11 2HG2 ILE 11 21.122 -20.585 -14.254 585 3HG2 ILE 11 3HG2 ILE 11 20.162 -19.871 -15.548 586 1HD1 ILE 11 1HD1 ILE 11 18.316 -23.038 -17.586 587 2HD1 ILE 11 2HD1 ILE 11 19.546 -21.787 -17.415 588 3HD1 ILE 11 3HD1 ILE 11 17.892 -21.475 -16.888 589 H ASP 12 H ASP 12 17.119 -21.995 -13.988 590 HA ASP 12 HA ASP 12 15.046 -21.458 -13.003 591 1HB ASP 12 2HB ASP 12 15.784 -23.910 -12.515 592 2HB ASP 12 1HB ASP 12 16.016 -23.349 -10.865 593 H ILE 13 H ILE 13 15.147 -22.057 -9.848 594 HA ILE 13 HA ILE 13 15.140 -20.654 -7.946 595 HB ILE 13 HB ILE 13 17.572 -19.677 -9.481 596 1HG1 ILE 13 2HG1 ILE 13 17.210 -21.743 -7.285 597 2HG1 ILE 13 1HG1 ILE 13 17.634 -22.073 -8.965 598 1HG2 ILE 13 1HG2 ILE 13 18.021 -18.258 -7.782 599 2HG2 ILE 13 2HG2 ILE 13 17.685 -19.501 -6.576 600 3HG2 ILE 13 3HG2 ILE 13 16.368 -18.525 -7.230 601 1HD1 ILE 13 1HD1 ILE 13 19.811 -21.705 -8.531 602 2HD1 ILE 13 2HD1 ILE 13 19.404 -21.514 -6.826 603 3HD1 ILE 13 3HD1 ILE 13 19.444 -20.105 -7.887 604 H LYS 14 H LYS 14 13.157 -19.566 -8.603 605 HA LYS 14 HA LYS 14 12.700 -17.503 -10.362 606 1HB LYS 14 2HB LYS 14 11.399 -18.668 -8.286 607 2HB LYS 14 1HB LYS 14 11.708 -17.073 -7.598 608 1HG LYS 14 2HG LYS 14 10.404 -17.572 -10.290 609 2HG LYS 14 1HG LYS 14 9.536 -17.169 -8.809 610 1HD LYS 14 2HD LYS 14 11.513 -15.219 -8.948 611 2HD LYS 14 1HD LYS 14 11.008 -15.416 -10.627 612 1HE LYS 14 2HE LYS 14 8.636 -15.121 -9.939 613 2HE LYS 14 1HE LYS 14 9.172 -14.857 -8.268 614 1HZ LYS 14 1HZ LYS 14 10.670 -13.097 -9.159 615 2HZ LYS 14 2HZ LYS 14 9.017 -12.734 -9.309 616 3HZ LYS 14 3HZ LYS 14 9.900 -13.257 -10.662 617 H THR 15 H THR 15 13.709 -15.568 -10.716 618 HA THR 15 HA THR 15 14.874 -14.121 -8.370 619 HB THR 15 HB THR 15 16.658 -13.422 -10.076 620 HG1 THR 15 1HG THR 15 16.362 -15.730 -11.455 621 1HG2 THR 15 1HG2 THR 15 16.314 -16.158 -8.892 622 2HG2 THR 15 2HG2 THR 15 17.409 -14.865 -8.406 623 3HG2 THR 15 3HG2 THR 15 17.739 -15.798 -9.868 624 H SER 16 H SER 16 13.350 -12.427 -8.217 625 HA SER 16 HA SER 16 11.990 -11.276 -10.448 626 1HB SER 16 2HB SER 16 12.556 -10.250 -7.655 627 2HB SER 16 1HB SER 16 11.378 -9.555 -8.749 628 HG SER 16 HG SER 16 10.128 -11.008 -7.884 629 HA PRO 17 HA PRO 17 12.718 -8.592 -8.088 630 1HB PRO 17 2HB PRO 17 14.058 -6.276 -7.835 631 2HB PRO 17 1HB PRO 17 14.764 -7.809 -7.339 632 1HG PRO 17 2HG PRO 17 15.583 -6.076 -9.450 633 2HG PRO 17 1HG PRO 17 16.305 -7.609 -8.956 634 1HD PRO 17 2HD PRO 17 14.332 -7.080 -11.088 635 2HD PRO 17 1HD PRO 17 15.576 -8.314 -10.967 636 HA PRO 18 HA PRO 18 11.482 -5.313 -11.393 637 1HB PRO 18 2HB PRO 18 9.349 -6.515 -12.650 638 2HB PRO 18 1HB PRO 18 11.041 -6.567 -13.213 639 1HG PRO 18 2HG PRO 18 9.537 -8.617 -11.660 640 2HG PRO 18 1HG PRO 18 10.608 -8.815 -13.051 641 1HD PRO 18 2HD PRO 18 11.474 -9.275 -10.557 642 2HD PRO 18 1HD PRO 18 12.531 -8.568 -11.795 643 HA PRO 19 HA PRO 19 7.449 -5.300 -8.839 644 1HB PRO 19 2HB PRO 19 7.332 -7.048 -6.732 645 2HB PRO 19 1HB PRO 19 6.643 -7.433 -8.323 646 1HG PRO 19 2HG PRO 19 9.220 -8.300 -7.118 647 2HG PRO 19 1HG PRO 19 8.079 -9.209 -8.122 648 1HD PRO 19 2HD PRO 19 10.388 -8.144 -9.075 649 2HD PRO 19 1HD PRO 19 8.948 -8.402 -10.068 650 H GLU 20 H GLU 20 9.318 -3.694 -8.573 651 HA GLU 20 HA GLU 20 11.282 -3.669 -6.582 652 1HB GLU 20 2HB GLU 20 10.880 -1.112 -6.789 653 2HB GLU 20 1HB GLU 20 11.328 -2.014 -8.235 654 1HG GLU 20 2HG GLU 20 9.167 -1.909 -9.123 655 2HG GLU 20 1HG GLU 20 8.422 -1.670 -7.542 656 H CYS 21 H CYS 21 9.409 -4.796 -4.931 657 HA CYS 21 HA CYS 21 8.148 -2.643 -3.362 658 1HB CYS 21 2HB CYS 21 7.981 -4.946 -1.797 659 2HB CYS 21 1HB CYS 21 6.736 -4.330 -2.867 660 HG CYS 21 HG CYS 21 7.010 -6.519 -4.010 661 H ILE 22 H ILE 22 11.034 -4.636 -3.260 662 HA ILE 22 HA ILE 22 11.806 -3.801 -0.551 663 HB ILE 22 HB ILE 22 13.444 -4.967 -2.825 664 1HG1 ILE 22 2HG1 ILE 22 12.363 -6.881 -2.529 665 2HG1 ILE 22 1HG1 ILE 22 12.994 -6.963 -0.899 666 1HG2 ILE 22 1HG2 ILE 22 15.055 -4.350 -1.346 667 2HG2 ILE 22 2HG2 ILE 22 14.598 -5.873 -0.585 668 3HG2 ILE 22 3HG2 ILE 22 13.949 -4.356 0.029 669 1HD1 ILE 22 1HD1 ILE 22 10.692 -7.139 -0.520 670 2HD1 ILE 22 2HD1 ILE 22 10.287 -6.038 -1.836 671 3HD1 ILE 22 3HD1 ILE 22 10.943 -5.408 -0.327 672 H ASN 23 H ASN 23 13.171 -3.185 -3.801 673 HA ASN 23 HA ASN 23 14.936 -1.115 -2.894 674 1HB ASN 23 2HB ASN 23 15.154 -0.593 -5.244 675 2HB ASN 23 1HB ASN 23 15.034 -2.342 -5.078 676 1HD2 ASN 23 1HD2 ASN 23 14.108 -0.147 -7.195 677 2HD2 ASN 23 2HD2 ASN 23 12.544 -0.675 -7.585 678 H ASP 24 H ASP 24 11.667 -0.836 -4.408 679 HA ASP 24 HA ASP 24 11.417 1.980 -4.213 680 1HB ASP 24 2HB ASP 24 9.865 0.290 -5.302 681 2HB ASP 24 1HB ASP 24 9.294 -0.121 -3.684 682 H LEU 25 H LEU 25 11.501 -0.543 -1.867 683 HA LEU 25 HA LEU 25 10.347 1.047 0.273 684 1HB LEU 25 2HB LEU 25 9.845 -1.173 0.521 685 2HB LEU 25 1HB LEU 25 11.326 -1.711 -0.208 686 HG LEU 25 HG LEU 25 12.187 -0.431 2.124 687 1HD1 LEU 25 1HD1 LEU 25 9.493 -0.902 2.493 688 2HD1 LEU 25 2HD1 LEU 25 10.700 -0.584 3.742 689 3HD1 LEU 25 3HD1 LEU 25 10.296 -2.246 3.305 690 1HD2 LEU 25 1HD2 LEU 25 13.310 -2.365 1.664 691 2HD2 LEU 25 2HD2 LEU 25 11.844 -3.237 1.209 692 3HD2 LEU 25 3HD2 LEU 25 12.221 -2.972 2.910 693 H LEU 26 H LEU 26 13.252 -0.789 -0.084 694 HA LEU 26 HA LEU 26 14.655 0.474 1.971 695 1HB LEU 26 2HB LEU 26 15.176 -1.728 1.397 696 2HB LEU 26 1HB LEU 26 15.230 -1.351 -0.315 697 HG LEU 26 HG LEU 26 17.204 0.009 0.019 698 1HD1 LEU 26 1HD1 LEU 26 18.041 -0.776 2.547 699 2HD1 LEU 26 2HD1 LEU 26 16.357 -0.341 2.769 700 3HD1 LEU 26 3HD1 LEU 26 17.494 0.828 2.096 701 1HD2 LEU 26 1HD2 LEU 26 17.981 -2.476 1.429 702 2HD2 LEU 26 2HD2 LEU 26 18.605 -1.797 -0.072 703 3HD2 LEU 26 3HD2 LEU 26 17.094 -2.706 -0.071 704 H GLN 27 H GLN 27 14.093 1.538 -1.245 705 HA GLN 27 HA GLN 27 16.566 2.913 -1.707 706 1HB GLN 27 2HB GLN 27 13.704 3.116 -2.660 707 2HB GLN 27 1HB GLN 27 14.961 4.182 -3.266 708 1HG GLN 27 2HG GLN 27 15.683 1.330 -3.226 709 2HG GLN 27 1HG GLN 27 14.387 1.745 -4.341 710 1HE2 GLN 27 1HE2 GLN 27 17.210 0.955 -4.944 711 2HE2 GLN 27 2HE2 GLN 27 17.847 2.225 -5.865 712 H ALA 28 H ALA 28 14.116 3.240 0.609 713 HA ALA 28 HA ALA 28 14.584 6.149 0.927 714 1HB ALA 28 1HB ALA 28 12.278 4.673 0.623 715 2HB ALA 28 2HB ALA 28 12.357 6.292 1.320 716 3HB ALA 28 3HB ALA 28 12.368 4.878 2.375 717 H VAL 29 H VAL 29 14.904 2.965 2.604 718 HA VAL 29 HA VAL 29 15.551 4.561 5.057 719 HB VAL 29 HB VAL 29 13.914 3.068 5.688 720 1HG1 VAL 29 1HG1 VAL 29 13.782 0.726 4.785 721 2HG1 VAL 29 2HG1 VAL 29 15.057 1.162 3.649 722 3HG1 VAL 29 3HG1 VAL 29 13.501 1.997 3.602 723 1HG2 VAL 29 1HG2 VAL 29 16.371 1.305 5.878 724 2HG2 VAL 29 2HG2 VAL 29 14.907 1.155 6.848 725 3HG2 VAL 29 3HG2 VAL 29 15.946 2.570 7.031 726 H ASP 30 H ASP 30 17.260 3.688 2.564 727 HA ASP 30 HA ASP 30 19.535 3.019 2.299 728 1HB ASP 30 2HB ASP 30 19.119 4.527 4.836 729 2HB ASP 30 1HB ASP 30 20.705 3.841 4.559 730 H SER 31 H SER 31 19.327 0.639 2.377 731 HA SER 31 HA SER 31 20.448 -0.457 4.852 732 1HB SER 31 2HB SER 31 17.829 0.246 4.789 733 2HB SER 31 1HB SER 31 17.688 -1.396 4.246 734 HG SER 31 HG SER 31 18.781 -0.345 6.628 735 H GLN 32 H GLN 32 21.728 -0.906 2.658 736 HA GLN 32 HA GLN 32 20.932 -2.668 0.666 737 1HB GLN 32 2HB GLN 32 23.227 -1.490 1.384 738 2HB GLN 32 1HB GLN 32 23.578 -3.116 1.973 739 1HG GLN 32 2HG GLN 32 23.780 -3.952 -0.128 740 2HG GLN 32 1HG GLN 32 22.359 -3.080 -0.699 741 1HE2 GLN 32 1HE2 GLN 32 22.671 -1.098 -1.787 742 2HE2 GLN 32 2HE2 GLN 32 24.200 -0.437 -2.091 743 H GLU 33 H GLU 33 21.331 -3.394 4.063 744 HA GLU 33 HA GLU 33 21.746 -6.218 3.878 745 1HB GLU 33 2HB GLU 33 20.114 -4.605 5.861 746 2HB GLU 33 1HB GLU 33 20.806 -6.200 6.142 747 1HG GLU 33 2HG GLU 33 23.067 -5.035 5.493 748 2HG GLU 33 1HG GLU 33 22.205 -3.554 5.911 749 H VAL 34 H VAL 34 18.962 -4.148 3.473 750 HA VAL 34 HA VAL 34 17.026 -6.340 3.415 751 HB VAL 34 HB VAL 34 17.139 -3.379 3.355 752 1HG1 VAL 34 1HG1 VAL 34 15.133 -4.901 1.687 753 2HG1 VAL 34 2HG1 VAL 34 16.053 -3.462 1.259 754 3HG1 VAL 34 3HG1 VAL 34 14.727 -3.347 2.414 755 1HG2 VAL 34 1HG2 VAL 34 15.243 -3.628 4.815 756 2HG2 VAL 34 2HG2 VAL 34 16.391 -4.890 5.242 757 3HG2 VAL 34 3HG2 VAL 34 14.968 -5.284 4.277 758 H ARG 35 H ARG 35 18.759 -4.312 1.040 759 HA ARG 35 HA ARG 35 17.460 -5.586 -1.267 760 1HB ARG 35 2HB ARG 35 19.260 -3.422 -0.608 761 2HB ARG 35 1HB ARG 35 19.887 -4.352 -1.962 762 1HG ARG 35 2HG ARG 35 17.258 -4.141 -2.659 763 2HG ARG 35 1HG ARG 35 17.508 -2.606 -1.824 764 1HD ARG 35 2HD ARG 35 19.352 -2.027 -3.261 765 2HD ARG 35 1HD ARG 35 19.351 -3.646 -3.984 766 HE ARG 35 HE ARG 35 16.747 -2.702 -4.342 767 1HH1 ARG 35 1HH2 ARG 35 19.700 -1.044 -4.793 768 2HH1 ARG 35 2HH2 ARG 35 19.324 -0.508 -6.396 769 1HH2 ARG 35 1HH1 ARG 35 16.354 -2.280 -6.588 770 2HH2 ARG 35 2HH1 ARG 35 17.435 -1.205 -7.409 771 H ASP 36 H ASP 36 20.634 -5.653 0.362 772 HA ASP 36 HA ASP 36 21.930 -7.620 -1.221 773 1HB ASP 36 2HB ASP 36 22.712 -6.123 0.802 774 2HB ASP 36 1HB ASP 36 22.121 -7.451 1.792 775 H TYR 37 H TYR 37 19.463 -7.677 1.165 776 HA TYR 37 HA TYR 37 19.356 -10.531 1.627 777 1HB TYR 37 2HB TYR 37 18.569 -9.235 3.368 778 2HB TYR 37 1HB TYR 37 17.856 -8.030 2.305 779 HD1 TYR 37 1HD TYR 37 17.322 -11.174 4.068 780 HD2 TYR 37 2HD TYR 37 15.808 -8.541 1.044 781 HE1 TYR 37 1HE TYR 37 15.168 -12.405 4.069 782 HE2 TYR 37 2HE TYR 37 13.674 -9.753 1.023 783 HH TYR 37 HH TYR 37 13.099 -12.479 3.286 784 H CYS 38 H CYS 38 17.387 -8.087 0.000 785 HA CYS 38 HA CYS 38 15.475 -9.663 -1.267 786 1HB CYS 38 2HB CYS 38 15.765 -7.148 -1.077 787 2HB CYS 38 1HB CYS 38 16.931 -7.263 -2.372 788 HG CYS 38 HG CYS 38 13.909 -7.937 -2.715 789 H GLU 39 H GLU 39 18.674 -8.695 -2.565 790 HA GLU 39 HA GLU 39 18.432 -10.420 -4.901 791 1HB GLU 39 2HB GLU 39 20.886 -9.798 -5.065 792 2HB GLU 39 1HB GLU 39 19.821 -8.400 -4.894 793 1HG GLU 39 2HG GLU 39 20.893 -7.806 -3.011 794 2HG GLU 39 1HG GLU 39 20.436 -9.350 -2.279 795 H LYS 40 H LYS 40 19.021 -10.942 -1.575 796 HA LYS 40 HA LYS 40 20.741 -13.300 -1.996 797 1HB LYS 40 2HB LYS 40 21.038 -11.937 0.040 798 2HB LYS 40 1HB LYS 40 19.327 -12.128 0.434 799 1HG LYS 40 2HG LYS 40 19.566 -14.452 0.849 800 2HG LYS 40 1HG LYS 40 21.172 -14.493 0.125 801 1HD LYS 40 2HD LYS 40 22.158 -13.826 2.047 802 2HD LYS 40 1HD LYS 40 20.979 -12.531 2.274 803 1HE LYS 40 2HE LYS 40 19.690 -13.788 3.681 804 2HE LYS 40 1HE LYS 40 19.919 -15.263 2.719 805 1HZ LYS 40 1HZ LYS 40 21.908 -14.007 4.536 806 2HZ LYS 40 2HZ LYS 40 22.233 -15.327 3.515 807 3HZ LYS 40 3HZ LYS 40 21.113 -15.486 4.781 808 H LYS 41 H LYS 41 17.530 -12.235 -1.423 809 HA LYS 41 HA LYS 41 16.213 -14.703 -0.870 810 1HB LYS 41 2HB LYS 41 15.304 -12.169 -2.214 811 2HB LYS 41 1HB LYS 41 14.271 -13.341 -1.440 812 1HG LYS 41 2HG LYS 41 15.875 -11.188 -0.310 813 2HG LYS 41 1HG LYS 41 14.396 -11.918 0.289 814 1HD LYS 41 2HD LYS 41 16.972 -13.452 0.428 815 2HD LYS 41 1HD LYS 41 16.569 -12.273 1.614 816 1HE LYS 41 2HE LYS 41 14.590 -13.428 2.271 817 2HE LYS 41 1HE LYS 41 14.656 -14.447 0.831 818 1HZ LYS 41 1HZ LYS 41 15.646 -15.793 2.412 819 2HZ LYS 41 2HZ LYS 41 16.395 -14.495 3.212 820 3HZ LYS 41 3HZ LYS 41 16.995 -15.037 1.717 821 H GLY 42 H GLY 42 16.325 -12.562 -3.612 822 1HA GLY 42 2HA GLY 42 17.076 -13.731 -5.745 823 2HA GLY 42 1HA GLY 42 15.711 -14.782 -5.464 824 H TRP 43 H TRP 43 16.344 -11.292 -5.486 825 HA TRP 43 HA TRP 43 14.112 -10.973 -7.434 826 1HB TRP 43 2HB TRP 43 14.913 -8.709 -5.688 827 2HB TRP 43 1HB TRP 43 13.410 -8.988 -6.466 828 HD1 TRP 43 HD TRP 43 14.980 -11.589 -4.231 829 HE1 TRP 43 1HE TRP 43 13.609 -11.840 -2.209 830 HE3 TRP 43 3HE TRP 43 11.586 -7.815 -4.839 831 HZ2 TRP 43 2HZ TRP 43 11.522 -10.722 -0.811 832 HZ3 TRP 43 3HZ TRP 43 9.912 -7.431 -3.084 833 HH2 TRP 43 HH TRP 43 9.837 -8.880 -1.062 834 H ILE 44 H ILE 44 16.769 -9.728 -5.812 835 HA ILE 44 HA ILE 44 18.819 -9.048 -6.531 836 HB ILE 44 HB ILE 44 17.732 -8.975 -9.319 837 1HG1 ILE 44 2HG1 ILE 44 19.139 -11.391 -8.332 838 2HG1 ILE 44 1HG1 ILE 44 17.491 -11.192 -7.794 839 1HG2 ILE 44 1HG2 ILE 44 19.902 -8.177 -9.461 840 2HG2 ILE 44 2HG2 ILE 44 20.290 -9.898 -9.442 841 3HG2 ILE 44 3HG2 ILE 44 20.386 -8.955 -7.949 842 1HD1 ILE 44 1HD1 ILE 44 18.157 -12.319 -10.180 843 2HD1 ILE 44 2HD1 ILE 44 17.937 -10.636 -10.659 844 3HD1 ILE 44 3HD1 ILE 44 16.619 -11.507 -9.875 845 H VAL 45 H VAL 45 16.194 -7.491 -6.362 846 HA VAL 45 HA VAL 45 15.740 -5.250 -7.693 847 HB VAL 45 HB VAL 45 15.669 -4.098 -5.426 848 1HG1 VAL 45 1HG1 VAL 45 13.745 -5.287 -6.305 849 2HG1 VAL 45 2HG1 VAL 45 13.903 -5.641 -4.584 850 3HG1 VAL 45 3HG1 VAL 45 14.428 -6.826 -5.779 851 1HG2 VAL 45 1HG2 VAL 45 16.112 -5.526 -3.474 852 2HG2 VAL 45 2HG2 VAL 45 17.576 -5.302 -4.430 853 3HG2 VAL 45 3HG2 VAL 45 16.669 -6.809 -4.545 854 H ASN 46 H ASN 46 17.400 -4.457 -9.026 855 HA ASN 46 HA ASN 46 19.174 -2.456 -7.920 856 1HB ASN 46 2HB ASN 46 20.504 -4.270 -7.162 857 2HB ASN 46 1HB ASN 46 20.185 -5.218 -8.614 858 1HD2 ASN 46 1HD2 ASN 46 22.453 -5.443 -9.166 859 2HD2 ASN 46 2HD2 ASN 46 23.379 -4.124 -9.694 860 H ILE 47 H ILE 47 20.269 -1.291 -9.689 861 HA ILE 47 HA ILE 47 19.835 -2.267 -12.449 862 HB ILE 47 HB ILE 47 17.728 -1.141 -11.537 863 1HG1 ILE 47 2HG1 ILE 47 18.335 0.613 -13.747 864 2HG1 ILE 47 1HG1 ILE 47 19.010 -0.986 -14.056 865 1HG2 ILE 47 1HG2 ILE 47 19.211 0.664 -10.397 866 2HG2 ILE 47 2HG2 ILE 47 17.712 1.186 -11.167 867 3HG2 ILE 47 3HG2 ILE 47 19.253 1.419 -11.991 868 1HD1 ILE 47 1HD1 ILE 47 16.617 -0.689 -14.826 869 2HD1 ILE 47 2HD1 ILE 47 16.164 -0.540 -13.128 870 3HD1 ILE 47 3HD1 ILE 47 16.874 -2.041 -13.722 871 H THR 48 H THR 48 22.138 -1.388 -10.669 872 HA THR 48 HA THR 48 23.062 1.143 -11.841 873 HB THR 48 HB THR 48 24.627 -0.892 -10.238 874 HG1 THR 48 1HG THR 48 23.773 0.180 -8.416 875 1HG2 THR 48 1HG2 THR 48 26.031 0.872 -9.702 876 2HG2 THR 48 2HG2 THR 48 24.768 2.082 -9.929 877 3HG2 THR 48 3HG2 THR 48 25.543 1.341 -11.331 878 H SER 49 H SER 49 24.680 1.340 -13.425 879 HA SER 49 HA SER 49 24.929 -0.632 -15.447 880 1HB SER 49 2HB SER 49 25.727 1.998 -14.931 881 2HB SER 49 1HB SER 49 27.241 1.131 -15.171 882 HG SER 49 HG SER 49 26.754 1.330 -17.208 883 H GLN 50 H GLN 50 26.937 -1.836 -16.052 884 HA GLN 50 HA GLN 50 27.881 -3.670 -14.220 885 1HB GLN 50 2HB GLN 50 29.932 -3.727 -15.743 886 2HB GLN 50 1HB GLN 50 28.374 -3.853 -16.564 887 1HG GLN 50 2HG GLN 50 28.547 -1.774 -17.506 888 2HG GLN 50 1HG GLN 50 29.421 -1.111 -16.127 889 1HE2 GLN 50 1HE2 GLN 50 29.798 -2.453 -19.297 890 2HE2 GLN 50 2HE2 GLN 50 31.494 -2.520 -19.300 891 H VAL 51 H VAL 51 29.519 -3.729 -12.644 892 HA VAL 51 HA VAL 51 31.006 -1.173 -12.146 893 HB VAL 51 HB VAL 51 29.673 -2.988 -10.111 894 1HG1 VAL 51 1HG1 VAL 51 30.209 -1.206 -8.524 895 2HG1 VAL 51 2HG1 VAL 51 30.927 -0.241 -9.814 896 3HG1 VAL 51 3HG1 VAL 51 31.687 -1.753 -9.316 897 1HG2 VAL 51 1HG2 VAL 51 27.800 -1.934 -10.880 898 2HG2 VAL 51 2HG2 VAL 51 28.726 -0.663 -11.678 899 3HG2 VAL 51 3HG2 VAL 51 28.412 -0.570 -9.945 900 H GLN 52 H GLN 52 32.966 -1.532 -10.783 901 HA GLN 52 HA GLN 52 34.406 -3.943 -11.612 902 1HB GLN 52 2HB GLN 52 36.245 -2.769 -10.334 903 2HB GLN 52 1HB GLN 52 35.503 -1.785 -11.597 904 1HG GLN 52 2HG GLN 52 34.394 -0.429 -10.085 905 2HG GLN 52 1HG GLN 52 34.336 -1.683 -8.847 906 1HE2 GLN 52 1HE2 GLN 52 35.365 1.104 -8.541 907 2HE2 GLN 52 2HE2 GLN 52 36.987 0.951 -8.066 908 H THR 53 H THR 53 32.147 -3.606 -9.313 909 HA THR 53 HA THR 53 33.157 -4.373 -6.824 910 HB THR 53 HB THR 53 30.775 -3.888 -7.569 911 HG1 THR 53 1HG THR 53 31.299 -4.773 -5.512 912 1HG2 THR 53 1HG2 THR 53 29.563 -5.397 -8.783 913 2HG2 THR 53 2HG2 THR 53 30.366 -6.786 -8.050 914 3HG2 THR 53 3HG2 THR 53 31.159 -5.890 -9.346 915 H GLU 54 H GLU 54 33.868 -6.324 -5.926 916 HA GLU 54 HA GLU 54 34.714 -8.530 -5.870 917 1HB GLU 54 2HB GLU 54 32.248 -8.707 -6.774 918 2HB GLU 54 1HB GLU 54 33.037 -9.084 -8.306 919 1HG GLU 54 2HG GLU 54 33.544 -11.168 -7.615 920 2HG GLU 54 1HG GLU 54 34.254 -10.558 -6.119 921 H ARG 55 H ARG 55 36.296 -9.851 -6.984 922 HA ARG 55 HA ARG 55 37.702 -8.409 -9.155 923 1HB ARG 55 2HB ARG 55 38.961 -9.207 -7.234 924 2HB ARG 55 1HB ARG 55 38.317 -10.836 -7.442 925 1HG ARG 55 2HG ARG 55 40.519 -10.852 -8.394 926 2HG ARG 55 1HG ARG 55 39.387 -10.847 -9.747 927 1HD ARG 55 2HD ARG 55 40.923 -9.165 -10.367 928 2HD ARG 55 1HD ARG 55 39.641 -8.223 -9.580 929 HE ARG 55 HE ARG 55 41.055 -8.503 -7.445 930 1HH1 ARG 55 1HH1 ARG 55 42.117 -6.416 -9.349 931 2HH1 ARG 55 2HH1 ARG 55 43.794 -6.841 -9.436 932 1HH2 ARG 55 1HH2 ARG 55 43.334 -10.007 -8.101 933 2HH2 ARG 55 2HH2 ARG 55 44.483 -8.874 -8.728 934 H ASN 56 H ASN 56 36.760 -11.813 -8.556 935 HA ASN 56 HA ASN 56 36.488 -13.568 -10.147 936 1HB ASN 56 2HB ASN 56 34.388 -13.181 -11.279 937 2HB ASN 56 1HB ASN 56 34.318 -12.334 -9.735 938 1HD2 ASN 56 1HD2 ASN 56 34.025 -11.930 -13.138 939 2HD2 ASN 56 2HD2 ASN 56 33.982 -10.233 -13.159 940 H ILE 57 H ILE 57 35.544 -13.123 -12.892 941 HA ILE 57 HA ILE 57 38.182 -12.532 -14.136 942 HB ILE 57 HB ILE 57 37.319 -13.844 -15.952 943 1HG1 ILE 57 2HG1 ILE 57 34.704 -14.546 -15.293 944 2HG1 ILE 57 1HG1 ILE 57 34.773 -12.820 -14.936 945 1HG2 ILE 57 1HG2 ILE 57 36.159 -15.000 -13.398 946 2HG2 ILE 57 2HG2 ILE 57 37.866 -15.077 -13.838 947 3HG2 ILE 57 3HG2 ILE 57 36.660 -15.902 -14.828 948 1HD1 ILE 57 1HD1 ILE 57 34.564 -12.419 -17.141 949 2HD1 ILE 57 2HD1 ILE 57 34.698 -14.138 -17.508 950 3HD1 ILE 57 3HD1 ILE 57 36.151 -13.149 -17.373 951 H ASN 58 H ASN 58 38.307 -11.079 -15.971 952 HA ASN 58 HA ASN 58 36.130 -9.021 -16.000 953 1HB ASN 58 2HB ASN 58 38.456 -8.421 -15.239 954 2HB ASN 58 1HB ASN 58 39.033 -8.821 -16.856 955 1HD2 ASN 58 1HD2 ASN 58 37.985 -7.542 -18.695 956 2HD2 ASN 58 2HD2 ASN 58 37.500 -5.945 -18.382 957 H ARG 59 H ARG 59 34.819 -9.981 -17.650 958 HA ARG 59 HA ARG 59 34.175 -10.447 -19.873 959 1HB ARG 59 2HB ARG 59 34.929 -8.132 -20.121 960 2HB ARG 59 1HB ARG 59 36.599 -8.669 -20.297 961 1HG ARG 59 2HG ARG 59 35.816 -8.298 -22.518 962 2HG ARG 59 1HG ARG 59 35.789 -10.047 -22.298 963 1HD ARG 59 2HD ARG 59 33.370 -9.937 -21.745 964 2HD ARG 59 1HD ARG 59 33.403 -8.183 -22.022 965 HE ARG 59 HE ARG 59 33.489 -8.614 -24.343 966 1HH1 ARG 59 1HH1 ARG 59 36.001 -10.281 -24.193 967 2HH1 ARG 59 2HH1 ARG 59 35.454 -11.798 -24.823 968 1HH2 ARG 59 1HH2 ARG 59 32.090 -11.048 -24.436 969 2HH2 ARG 59 2HH2 ARG 59 33.239 -12.233 -24.961 970 H ALA 60 H ALA 60 37.586 -10.173 -20.741 971 HA ALA 60 HA ALA 60 37.636 -12.733 -22.044 972 1HB ALA 60 1HB ALA 60 39.085 -10.913 -22.707 973 2HB ALA 60 2HB ALA 60 40.116 -12.209 -22.102 974 3HB ALA 60 3HB ALA 60 39.775 -10.807 -21.088 Start of MODEL 6 1 1H MET 1 1HT MET 1 -13.964 -17.211 22.124 2 2H MET 1 2HT MET 1 -13.424 -15.886 23.039 3 3H MET 1 3HT MET 1 -13.329 -17.457 23.677 4 HA MET 1 HA MET 1 -11.194 -17.375 22.984 5 1HB MET 1 2HB MET 1 -13.018 -18.551 21.206 6 2HB MET 1 1HB MET 1 -11.907 -17.651 20.172 7 1HG MET 1 2HG MET 1 -11.196 -19.756 22.230 8 2HG MET 1 1HG MET 1 -10.966 -19.848 20.484 9 1HE MET 1 1HE MET 1 -8.054 -17.708 19.620 10 2HE MET 1 2HE MET 1 -9.764 -17.338 19.411 11 3HE MET 1 3HE MET 1 -9.193 -18.991 19.190 12 H GLY 2 H GLY 2 -12.774 -15.817 20.172 13 1HA GLY 2 2HA GLY 2 -10.714 -14.168 19.354 14 2HA GLY 2 1HA GLY 2 -12.405 -13.677 19.243 15 HA PRO 3 HA PRO 3 -10.007 -11.204 22.499 16 1HB PRO 3 2HB PRO 3 -9.372 -8.988 21.041 17 2HB PRO 3 1HB PRO 3 -8.295 -10.395 21.147 18 1HG PRO 3 2HG PRO 3 -10.170 -9.602 18.973 19 2HG PRO 3 1HG PRO 3 -8.541 -10.294 18.864 20 1HD PRO 3 2HD PRO 3 -10.822 -11.753 18.519 21 2HD PRO 3 1HD PRO 3 -9.295 -12.444 19.112 22 H LEU 4 H LEU 4 -11.871 -9.857 19.772 23 HA LEU 4 HA LEU 4 -13.862 -8.746 21.699 24 1HB LEU 4 2HB LEU 4 -11.802 -7.284 20.580 25 2HB LEU 4 1HB LEU 4 -13.122 -6.992 19.455 26 HG LEU 4 HG LEU 4 -14.517 -6.625 21.673 27 1HD1 LEU 4 1HD1 LEU 4 -12.329 -5.280 22.922 28 2HD1 LEU 4 2HD1 LEU 4 -11.848 -6.956 22.649 29 3HD1 LEU 4 3HD1 LEU 4 -13.309 -6.596 23.570 30 1HD2 LEU 4 1HD2 LEU 4 -12.667 -4.353 21.166 31 2HD2 LEU 4 2HD2 LEU 4 -14.430 -4.392 21.156 32 3HD2 LEU 4 3HD2 LEU 4 -13.527 -4.984 19.761 33 H GLN 5 H GLN 5 -13.950 -11.008 19.746 34 HA GLN 5 HA GLN 5 -15.283 -11.753 17.923 35 1HB GLN 5 2HB GLN 5 -16.834 -11.064 19.857 36 2HB GLN 5 1HB GLN 5 -17.120 -9.575 18.955 37 1HG GLN 5 2HG GLN 5 -18.396 -10.621 17.385 38 2HG GLN 5 1HG GLN 5 -17.374 -12.057 17.371 39 1HE2 GLN 5 1HE2 GLN 5 -17.598 -13.491 19.418 40 2HE2 GLN 5 2HE2 GLN 5 -19.148 -13.627 20.097 41 H TYR 6 H TYR 6 -13.375 -9.584 17.386 42 HA TYR 6 HA TYR 6 -14.077 -7.355 16.031 43 1HB TYR 6 2HB TYR 6 -12.195 -7.957 14.447 44 2HB TYR 6 1HB TYR 6 -11.808 -8.112 16.166 45 HD1 TYR 6 1HD TYR 6 -13.053 -10.009 13.230 46 HD2 TYR 6 2HD TYR 6 -11.181 -10.174 17.081 47 HE1 TYR 6 1HE TYR 6 -12.666 -12.419 12.936 48 HE2 TYR 6 2HE TYR 6 -10.784 -12.587 16.785 49 HH TYR 6 HH TYR 6 -12.197 -14.496 15.086 50 H LYS 7 H LYS 7 -14.591 -6.859 13.747 51 HA LYS 7 HA LYS 7 -15.874 -9.088 12.232 52 1HB LYS 7 2HB LYS 7 -17.855 -7.581 11.910 53 2HB LYS 7 1HB LYS 7 -17.609 -8.041 13.596 54 1HG LYS 7 2HG LYS 7 -17.099 -5.919 14.233 55 2HG LYS 7 1HG LYS 7 -16.166 -5.602 12.770 56 1HD LYS 7 2HD LYS 7 -18.007 -4.187 12.486 57 2HD LYS 7 1HD LYS 7 -18.506 -5.623 11.590 58 1HE LYS 7 2HE LYS 7 -20.362 -4.948 13.017 59 2HE LYS 7 1HE LYS 7 -19.658 -6.423 13.713 60 1HZ LYS 7 1HZ LYS 7 -18.618 -3.769 14.469 61 2HZ LYS 7 2HZ LYS 7 -18.523 -5.235 15.322 62 3HZ LYS 7 3HZ LYS 7 -19.995 -4.389 15.240 63 H ASP 8 H ASP 8 -13.400 -7.375 11.910 64 HA ASP 8 HA ASP 8 -13.873 -6.638 9.090 65 1HB ASP 8 2HB ASP 8 -13.410 -4.710 11.352 66 2HB ASP 8 1HB ASP 8 -12.805 -4.318 9.743 67 H LEU 9 H LEU 9 -12.111 -7.540 8.098 68 HA LEU 9 HA LEU 9 -9.422 -7.139 9.343 69 1HB LEU 9 2HB LEU 9 -8.966 -9.549 8.729 70 2HB LEU 9 1HB LEU 9 -10.176 -9.347 9.995 71 HG LEU 9 HG LEU 9 -11.564 -9.225 7.527 72 1HD1 LEU 9 1HD1 LEU 9 -10.187 -11.860 7.581 73 2HD1 LEU 9 2HD1 LEU 9 -9.257 -10.502 6.951 74 3HD1 LEU 9 3HD1 LEU 9 -10.796 -10.938 6.208 75 1HD2 LEU 9 1HD2 LEU 9 -12.658 -11.236 8.411 76 2HD2 LEU 9 2HD2 LEU 9 -12.381 -10.084 9.716 77 3HD2 LEU 9 3HD2 LEU 9 -11.326 -11.486 9.540 78 H LYS 10 H LYS 10 -7.779 -6.815 7.817 79 HA LYS 10 HA LYS 10 -6.917 -6.131 5.718 80 1HB LYS 10 2HB LYS 10 -6.921 -8.607 5.630 81 2HB LYS 10 1HB LYS 10 -8.559 -8.574 4.974 82 1HG LYS 10 2HG LYS 10 -7.714 -7.220 3.050 83 2HG LYS 10 1HG LYS 10 -6.077 -7.409 3.680 84 1HD LYS 10 2HD LYS 10 -6.227 -9.162 2.129 85 2HD LYS 10 1HD LYS 10 -6.621 -9.961 3.652 86 1HE LYS 10 2HE LYS 10 -8.948 -8.756 2.279 87 2HE LYS 10 1HE LYS 10 -8.197 -10.114 1.419 88 1HZ LYS 10 1HZ LYS 10 -9.405 -10.051 4.091 89 2HZ LYS 10 2HZ LYS 10 -8.095 -11.100 3.826 90 3HZ LYS 10 3HZ LYS 10 -9.507 -11.247 2.893 91 H ILE 11 H ILE 11 -8.140 -4.145 5.481 92 HA ILE 11 HA ILE 11 -10.126 -4.251 3.288 93 HB ILE 11 HB ILE 11 -11.584 -2.709 4.837 94 1HG1 ILE 11 2HG1 ILE 11 -10.239 -4.375 6.966 95 2HG1 ILE 11 1HG1 ILE 11 -9.683 -2.742 6.596 96 1HG2 ILE 11 1HG2 ILE 11 -11.892 -5.336 5.960 97 2HG2 ILE 11 2HG2 ILE 11 -11.565 -5.430 4.230 98 3HG2 ILE 11 3HG2 ILE 11 -12.921 -4.472 4.819 99 1HD1 ILE 11 1HD1 ILE 11 -12.604 -2.984 6.930 100 2HD1 ILE 11 2HD1 ILE 11 -11.494 -1.772 7.571 101 3HD1 ILE 11 3HD1 ILE 11 -11.673 -3.326 8.389 102 H ASP 12 H ASP 12 -10.605 -1.375 4.775 103 HA ASP 12 HA ASP 12 -9.972 0.778 4.166 104 1HB ASP 12 2HB ASP 12 -7.355 -0.657 4.696 105 2HB ASP 12 1HB ASP 12 -7.497 1.097 4.580 106 H ILE 13 H ILE 13 -7.801 1.771 2.751 107 HA ILE 13 HA ILE 13 -7.772 0.300 0.151 108 HB ILE 13 HB ILE 13 -9.610 2.074 0.364 109 1HG1 ILE 13 2HG1 ILE 13 -7.488 2.518 -1.759 110 2HG1 ILE 13 1HG1 ILE 13 -8.712 1.250 -1.809 111 1HG2 ILE 13 1HG2 ILE 13 -9.086 4.212 0.880 112 2HG2 ILE 13 2HG2 ILE 13 -7.719 4.224 -0.234 113 3HG2 ILE 13 3HG2 ILE 13 -7.521 3.583 1.397 114 1HD1 ILE 13 1HD1 ILE 13 -10.479 3.022 -1.685 115 2HD1 ILE 13 2HD1 ILE 13 -9.492 3.128 -3.143 116 3HD1 ILE 13 3HD1 ILE 13 -9.209 4.240 -1.803 117 H LYS 14 H LYS 14 -6.007 1.108 -1.278 118 HA LYS 14 HA LYS 14 -3.764 1.760 -1.638 119 1HB LYS 14 2HB LYS 14 -4.923 3.725 0.309 120 2HB LYS 14 1HB LYS 14 -3.193 3.797 -0.024 121 1HG LYS 14 2HG LYS 14 -4.956 3.540 -2.397 122 2HG LYS 14 1HG LYS 14 -5.043 5.076 -1.533 123 1HD LYS 14 2HD LYS 14 -2.560 5.254 -1.659 124 2HD LYS 14 1HD LYS 14 -2.529 3.769 -2.611 125 1HE LYS 14 2HE LYS 14 -3.411 4.793 -4.491 126 2HE LYS 14 1HE LYS 14 -4.334 5.973 -3.539 127 1HZ LYS 14 1HZ LYS 14 -2.220 6.789 -4.699 128 2HZ LYS 14 2HZ LYS 14 -1.380 5.940 -3.491 129 3HZ LYS 14 3HZ LYS 14 -2.435 7.205 -3.069 130 H THR 15 H THR 15 -3.881 2.505 1.833 131 HA THR 15 HA THR 15 -1.478 1.470 2.653 132 HB THR 15 HB THR 15 -2.735 0.991 4.820 133 HG1 THR 15 1HG THR 15 -4.712 0.541 3.538 134 1HG2 THR 15 1HG2 THR 15 -3.497 3.464 4.946 135 2HG2 THR 15 2HG2 THR 15 -2.876 3.584 3.300 136 3HG2 THR 15 3HG2 THR 15 -1.795 3.135 4.619 137 H SER 16 H SER 16 -0.676 -0.502 1.839 138 HA SER 16 HA SER 16 -2.263 -2.819 1.341 139 1HB SER 16 2HB SER 16 0.706 -2.449 1.837 140 2HB SER 16 1HB SER 16 -0.016 -3.900 1.167 141 HG SER 16 HG SER 16 0.713 -1.766 -0.122 142 HA PRO 17 HA PRO 17 0.949 -3.934 2.670 143 1HB PRO 17 2HB PRO 17 2.081 -5.236 4.734 144 2HB PRO 17 1HB PRO 17 1.922 -3.484 4.732 145 1HG PRO 17 2HG PRO 17 0.654 -5.381 6.441 146 2HG PRO 17 1HG PRO 17 0.497 -3.621 6.455 147 1HD PRO 17 2HD PRO 17 -1.233 -5.642 5.161 148 2HD PRO 17 1HD PRO 17 -1.626 -4.062 5.815 149 HA PRO 18 HA PRO 18 -0.794 -8.378 3.271 150 1HB PRO 18 2HB PRO 18 -2.367 -8.698 1.035 151 2HB PRO 18 1HB PRO 18 -2.947 -8.169 2.638 152 1HG PRO 18 2HG PRO 18 -2.278 -6.505 0.259 153 2HG PRO 18 1HG PRO 18 -3.657 -6.403 1.360 154 1HD PRO 18 2HD PRO 18 -1.551 -4.764 1.613 155 2HD PRO 18 1HD PRO 18 -2.442 -5.362 3.025 156 HA PRO 19 HA PRO 19 1.613 -9.132 -0.783 157 1HB PRO 19 2HB PRO 19 2.924 -6.966 -1.833 158 2HB PRO 19 1HB PRO 19 1.314 -7.463 -2.394 159 1HG PRO 19 2HG PRO 19 2.071 -5.291 -0.502 160 2HG PRO 19 1HG PRO 19 0.833 -5.303 -1.769 161 1HD PRO 19 2HD PRO 19 0.260 -5.626 0.856 162 2HD PRO 19 1HD PRO 19 -0.704 -6.350 -0.441 163 H GLU 20 H GLU 20 2.498 -9.740 1.415 164 HA GLU 20 HA GLU 20 4.289 -8.256 2.984 165 1HB GLU 20 2HB GLU 20 5.120 -10.642 3.568 166 2HB GLU 20 1HB GLU 20 3.425 -10.253 3.846 167 1HG GLU 20 2HG GLU 20 3.772 -11.167 1.133 168 2HG GLU 20 1HG GLU 20 4.475 -12.341 2.245 169 H CYS 21 H CYS 21 5.336 -7.447 0.581 170 HA CYS 21 HA CYS 21 7.675 -9.125 -0.021 171 1HB CYS 21 2HB CYS 21 8.147 -6.687 -1.268 172 2HB CYS 21 1HB CYS 21 7.414 -8.096 -2.008 173 HG CYS 21 HG CYS 21 5.778 -6.077 -2.344 174 H ILE 22 H ILE 22 6.911 -6.266 1.861 175 HA ILE 22 HA ILE 22 9.716 -5.629 2.477 176 HB ILE 22 HB ILE 22 7.121 -4.825 3.830 177 1HG1 ILE 22 2HG1 ILE 22 6.684 -3.553 2.076 178 2HG1 ILE 22 1HG1 ILE 22 8.147 -2.641 2.386 179 1HG2 ILE 22 1HG2 ILE 22 8.599 -4.056 5.348 180 2HG2 ILE 22 2HG2 ILE 22 8.850 -2.764 4.173 181 3HG2 ILE 22 3HG2 ILE 22 9.955 -4.135 4.221 182 1HD1 ILE 22 1HD1 ILE 22 9.324 -4.553 1.038 183 2HD1 ILE 22 2HD1 ILE 22 8.436 -3.316 0.155 184 3HD1 ILE 22 3HD1 ILE 22 7.704 -4.897 0.435 185 H ASN 23 H ASN 23 6.946 -6.787 4.415 186 HA ASN 23 HA ASN 23 8.539 -7.415 6.711 187 1HB ASN 23 2HB ASN 23 6.577 -8.613 7.465 188 2HB ASN 23 1HB ASN 23 6.040 -7.166 6.616 189 1HD2 ASN 23 1HD2 ASN 23 4.772 -9.961 6.997 190 2HD2 ASN 23 2HD2 ASN 23 4.363 -10.436 5.421 191 H ASP 24 H ASP 24 7.363 -9.585 4.079 192 HA ASP 24 HA ASP 24 8.664 -11.948 5.009 193 1HB ASP 24 2HB ASP 24 6.956 -11.599 3.115 194 2HB ASP 24 1HB ASP 24 8.319 -11.065 2.130 195 H LEU 25 H LEU 25 9.761 -9.000 3.625 196 HA LEU 25 HA LEU 25 12.351 -10.007 2.774 197 1HB LEU 25 2HB LEU 25 11.715 -8.221 1.495 198 2HB LEU 25 1HB LEU 25 10.813 -7.473 2.779 199 HG LEU 25 HG LEU 25 13.454 -7.353 3.690 200 1HD1 LEU 25 1HD1 LEU 25 13.636 -7.832 0.975 201 2HD1 LEU 25 2HD1 LEU 25 14.893 -7.176 2.026 202 3HD1 LEU 25 3HD1 LEU 25 13.826 -6.087 1.135 203 1HD2 LEU 25 1HD2 LEU 25 11.371 -5.649 3.346 204 2HD2 LEU 25 2HD2 LEU 25 12.516 -5.033 2.152 205 3HD2 LEU 25 3HD2 LEU 25 12.989 -5.157 3.849 206 H LEU 26 H LEU 26 11.255 -7.517 4.919 207 HA LEU 26 HA LEU 26 13.684 -7.302 6.325 208 1HB LEU 26 2HB LEU 26 12.303 -5.423 6.060 209 2HB LEU 26 1HB LEU 26 10.871 -6.309 6.553 210 HG LEU 26 HG LEU 26 11.806 -6.546 8.799 211 1HD1 LEU 26 1HD1 LEU 26 14.048 -6.284 8.932 212 2HD1 LEU 26 2HD1 LEU 26 13.735 -4.556 8.827 213 3HD1 LEU 26 3HD1 LEU 26 14.102 -5.464 7.371 214 1HD2 LEU 26 1HD2 LEU 26 10.671 -4.279 7.608 215 2HD2 LEU 26 2HD2 LEU 26 12.023 -3.650 8.542 216 3HD2 LEU 26 3HD2 LEU 26 10.771 -4.599 9.339 217 H GLN 27 H GLN 27 11.332 -9.658 6.467 218 HA GLN 27 HA GLN 27 11.123 -10.154 9.293 219 1HB GLN 27 2HB GLN 27 10.595 -11.468 6.676 220 2HB GLN 27 1HB GLN 27 10.726 -12.512 8.082 221 1HG GLN 27 2HG GLN 27 9.136 -10.147 8.651 222 2HG GLN 27 1HG GLN 27 8.471 -11.065 7.304 223 1HE2 GLN 27 1HE2 GLN 27 9.485 -13.667 8.343 224 2HE2 GLN 27 2HE2 GLN 27 8.504 -14.057 9.668 225 H ALA 28 H ALA 28 13.669 -10.281 7.037 226 HA ALA 28 HA ALA 28 15.121 -12.301 8.661 227 1HB ALA 28 1HB ALA 28 15.672 -13.330 6.718 228 2HB ALA 28 2HB ALA 28 15.975 -11.801 5.889 229 3HB ALA 28 3HB ALA 28 14.323 -12.410 6.047 230 H VAL 29 H VAL 29 15.318 -8.959 7.308 231 HA VAL 29 HA VAL 29 18.215 -9.054 8.051 232 HB VAL 29 HB VAL 29 18.112 -8.203 5.904 233 1HG1 VAL 29 1HG1 VAL 29 15.481 -6.945 6.687 234 2HG1 VAL 29 2HG1 VAL 29 15.753 -8.265 5.546 235 3HG1 VAL 29 3HG1 VAL 29 16.287 -6.634 5.152 236 1HG2 VAL 29 1HG2 VAL 29 19.108 -6.488 7.467 237 2HG2 VAL 29 2HG2 VAL 29 17.553 -5.658 7.447 238 3HG2 VAL 29 3HG2 VAL 29 18.482 -5.824 5.958 239 H ASP 30 H ASP 30 15.562 -8.578 9.728 240 HA ASP 30 HA ASP 30 15.070 -7.221 11.626 241 1HB ASP 30 2HB ASP 30 17.985 -7.766 11.382 242 2HB ASP 30 1HB ASP 30 17.500 -6.615 12.608 243 H SER 31 H SER 31 14.195 -5.292 10.517 244 HA SER 31 HA SER 31 16.043 -3.018 10.723 245 1HB SER 31 2HB SER 31 16.195 -4.710 8.607 246 2HB SER 31 1HB SER 31 15.051 -3.566 7.971 247 HG SER 31 HG SER 31 17.690 -3.205 8.898 248 H GLN 32 H GLN 32 13.897 -2.904 12.132 249 HA GLN 32 HA GLN 32 11.337 -2.452 11.149 250 1HB GLN 32 2HB GLN 32 12.547 -2.295 13.533 251 2HB GLN 32 1HB GLN 32 12.440 -0.569 13.190 252 1HG GLN 32 2HG GLN 32 10.208 -0.540 13.539 253 2HG GLN 32 1HG GLN 32 9.965 -1.981 12.550 254 1HE2 GLN 32 1HE2 GLN 32 9.109 -3.663 13.738 255 2HE2 GLN 32 2HE2 GLN 32 9.443 -3.976 15.369 256 H GLU 33 H GLU 33 14.165 -0.461 10.624 257 HA GLU 33 HA GLU 33 12.827 2.022 10.053 258 1HB GLU 33 2HB GLU 33 15.346 0.775 8.906 259 2HB GLU 33 1HB GLU 33 14.921 2.482 8.809 260 1HG GLU 33 2HG GLU 33 14.711 1.629 11.544 261 2HG GLU 33 1HG GLU 33 16.292 1.163 10.917 262 H VAL 34 H VAL 34 13.269 -0.971 8.334 263 HA VAL 34 HA VAL 34 12.399 0.086 5.747 264 HB VAL 34 HB VAL 34 13.444 -2.411 6.965 265 1HG1 VAL 34 1HG1 VAL 34 12.570 -3.522 4.663 266 2HG1 VAL 34 2HG1 VAL 34 11.203 -2.465 5.006 267 3HG1 VAL 34 3HG1 VAL 34 11.700 -3.673 6.187 268 1HG2 VAL 34 1HG2 VAL 34 14.838 -2.381 5.067 269 2HG2 VAL 34 2HG2 VAL 34 14.558 -0.673 5.393 270 3HG2 VAL 34 3HG2 VAL 34 13.668 -1.480 4.102 271 H ARG 35 H ARG 35 11.005 -1.834 8.408 272 HA ARG 35 HA ARG 35 8.384 -2.073 7.119 273 1HB ARG 35 2HB ARG 35 9.850 -2.972 9.436 274 2HB ARG 35 1HB ARG 35 8.244 -2.424 9.905 275 1HG ARG 35 2HG ARG 35 7.654 -3.859 7.669 276 2HG ARG 35 1HG ARG 35 9.037 -4.767 8.285 277 1HD ARG 35 2HD ARG 35 7.981 -5.081 10.429 278 2HD ARG 35 1HD ARG 35 6.674 -3.965 9.992 279 HE ARG 35 HE ARG 35 5.980 -5.606 8.251 280 1HH1 ARG 35 1HH2 ARG 35 8.882 -6.838 9.138 281 2HH1 ARG 35 2HH2 ARG 35 8.321 -8.413 9.592 282 1HH2 ARG 35 1HH1 ARG 35 4.966 -7.536 9.485 283 2HH2 ARG 35 2HH1 ARG 35 6.102 -8.808 9.789 284 H ASP 36 H ASP 36 9.882 -0.144 9.718 285 HA ASP 36 HA ASP 36 7.642 1.445 10.449 286 1HB ASP 36 2HB ASP 36 10.041 1.274 11.446 287 2HB ASP 36 1HB ASP 36 10.504 2.412 10.185 288 H TYR 37 H TYR 37 9.806 1.368 7.785 289 HA TYR 37 HA TYR 37 9.085 3.882 6.550 290 1HB TYR 37 2HB TYR 37 11.209 3.135 6.049 291 2HB TYR 37 1HB TYR 37 10.733 1.443 6.019 292 HD1 TYR 37 1HD TYR 37 9.387 0.564 4.144 293 HD2 TYR 37 2HD TYR 37 11.093 4.497 4.072 294 HE1 TYR 37 1HE TYR 37 8.906 0.704 1.742 295 HE2 TYR 37 2HE TYR 37 10.637 4.642 1.638 296 HH TYR 37 HH TYR 37 10.307 2.825 -0.292 297 H CYS 38 H CYS 38 8.583 0.436 5.897 298 HA CYS 38 HA CYS 38 6.814 0.556 3.751 299 1HB CYS 38 2HB CYS 38 7.976 -1.380 4.947 300 2HB CYS 38 1HB CYS 38 6.663 -1.323 6.101 301 HG CYS 38 HG CYS 38 5.074 -2.250 4.396 302 H GLU 39 H GLU 39 5.978 0.545 7.241 303 HA GLU 39 HA GLU 39 3.151 1.051 6.730 304 1HB GLU 39 2HB GLU 39 3.214 1.441 9.227 305 2HB GLU 39 1HB GLU 39 3.967 -0.086 8.756 306 1HG GLU 39 2HG GLU 39 5.866 0.590 9.757 307 2HG GLU 39 1HG GLU 39 5.981 1.880 8.555 308 H LYS 40 H LYS 40 5.999 2.924 6.558 309 HA LYS 40 HA LYS 40 4.689 5.451 7.322 310 1HB LYS 40 2HB LYS 40 7.100 5.153 7.772 311 2HB LYS 40 1HB LYS 40 7.381 4.771 6.071 312 1HG LYS 40 2HG LYS 40 6.837 6.974 5.370 313 2HG LYS 40 1HG LYS 40 6.166 7.389 6.946 314 1HD LYS 40 2HD LYS 40 8.204 7.913 7.781 315 2HD LYS 40 1HD LYS 40 8.923 6.443 7.120 316 1HE LYS 40 2HE LYS 40 8.781 7.658 4.821 317 2HE LYS 40 1HE LYS 40 8.598 9.132 5.791 318 1HZ LYS 40 1HZ LYS 40 10.553 8.041 7.127 319 2HZ LYS 40 2HZ LYS 40 10.863 8.972 5.740 320 3HZ LYS 40 3HZ LYS 40 10.865 7.276 5.645 321 H LYS 41 H LYS 41 5.640 3.469 4.685 322 HA LYS 41 HA LYS 41 5.183 5.214 2.478 323 1HB LYS 41 2HB LYS 41 4.936 2.229 2.799 324 2HB LYS 41 1HB LYS 41 5.202 3.078 1.298 325 1HG LYS 41 2HG LYS 41 7.060 2.333 3.418 326 2HG LYS 41 1HG LYS 41 7.346 2.533 1.698 327 1HD LYS 41 2HD LYS 41 6.860 4.942 3.422 328 2HD LYS 41 1HD LYS 41 8.416 4.211 3.317 329 1HE LYS 41 2HE LYS 41 8.578 4.589 0.973 330 2HE LYS 41 1HE LYS 41 6.849 4.936 0.864 331 1HZ LYS 41 1HZ LYS 41 8.882 6.539 2.323 332 2HZ LYS 41 2HZ LYS 41 7.209 6.823 2.384 333 3HZ LYS 41 3HZ LYS 41 8.052 7.006 0.921 334 H GLY 42 H GLY 42 3.496 2.469 3.791 335 1HA GLY 42 2HA GLY 42 1.081 2.989 4.392 336 2HA GLY 42 1HA GLY 42 0.923 3.437 2.711 337 H TRP 43 H TRP 43 2.248 0.735 4.587 338 HA TRP 43 HA TRP 43 0.586 -1.126 2.958 339 1HB TRP 43 2HB TRP 43 3.072 -2.093 4.254 340 2HB TRP 43 1HB TRP 43 2.251 -2.731 2.892 341 HD1 TRP 43 HD TRP 43 3.318 0.886 3.041 342 HE1 TRP 43 1HE TRP 43 5.088 1.261 1.377 343 HE3 TRP 43 3HE TRP 43 4.167 -3.876 1.405 344 HZ2 TRP 43 2HZ TRP 43 6.800 -0.043 -0.342 345 HZ3 TRP 43 3HZ TRP 43 5.933 -4.268 -0.262 346 HH2 TRP 43 HH TRP 43 7.254 -2.365 -1.177 347 H ILE 44 H ILE 44 2.579 -0.545 5.587 348 HA ILE 44 HA ILE 44 2.189 -0.545 7.833 349 HB ILE 44 HB ILE 44 -0.328 -2.079 7.321 350 1HG1 ILE 44 2HG1 ILE 44 -0.455 0.857 7.597 351 2HG1 ILE 44 1HG1 ILE 44 0.207 0.289 6.086 352 1HG2 ILE 44 1HG2 ILE 44 -0.781 -0.305 9.360 353 2HG2 ILE 44 2HG2 ILE 44 0.957 -0.576 9.550 354 3HG2 ILE 44 3HG2 ILE 44 -0.166 -1.940 9.622 355 1HD1 ILE 44 1HD1 ILE 44 -1.783 -0.529 5.372 356 2HD1 ILE 44 2HD1 ILE 44 -2.483 0.499 6.625 357 3HD1 ILE 44 3HD1 ILE 44 -2.166 -1.205 6.955 358 H VAL 45 H VAL 45 3.024 -2.798 5.984 359 HA VAL 45 HA VAL 45 2.716 -5.371 6.649 360 HB VAL 45 HB VAL 45 5.244 -5.503 6.528 361 1HG1 VAL 45 1HG1 VAL 45 3.731 -3.857 4.504 362 2HG1 VAL 45 2HG1 VAL 45 3.903 -5.610 4.515 363 3HG1 VAL 45 3HG1 VAL 45 5.305 -4.587 4.206 364 1HG2 VAL 45 1HG2 VAL 45 5.647 -3.324 7.668 365 2HG2 VAL 45 2HG2 VAL 45 4.974 -2.507 6.260 366 3HG2 VAL 45 3HG2 VAL 45 6.464 -3.437 6.110 367 H ASN 46 H ASN 46 1.936 -5.865 8.732 368 HA ASN 46 HA ASN 46 3.876 -6.256 10.842 369 1HB ASN 46 2HB ASN 46 3.745 -3.871 11.064 370 2HB ASN 46 1HB ASN 46 1.989 -3.888 10.901 371 1HD2 ASN 46 1HD2 ASN 46 2.609 -2.601 13.111 372 2HD2 ASN 46 2HD2 ASN 46 2.503 -3.556 14.508 373 H ILE 47 H ILE 47 0.422 -5.306 10.789 374 HA ILE 47 HA ILE 47 -0.345 -8.085 11.524 375 HB ILE 47 HB ILE 47 0.140 -6.777 13.603 376 1HG1 ILE 47 2HG1 ILE 47 -2.833 -7.252 13.275 377 2HG1 ILE 47 1HG1 ILE 47 -1.669 -8.569 13.422 378 1HG2 ILE 47 1HG2 ILE 47 -2.009 -4.999 12.429 379 2HG2 ILE 47 2HG2 ILE 47 -0.380 -4.541 12.929 380 3HG2 ILE 47 3HG2 ILE 47 -1.586 -4.972 14.141 381 1HD1 ILE 47 1HD1 ILE 47 -1.577 -8.305 15.654 382 2HD1 ILE 47 2HD1 ILE 47 -2.865 -7.107 15.523 383 3HD1 ILE 47 3HD1 ILE 47 -1.178 -6.596 15.471 384 H THR 48 H THR 48 -2.418 -8.598 10.760 385 HA THR 48 HA THR 48 -3.689 -6.590 8.991 386 HB THR 48 HB THR 48 -4.236 -9.528 9.529 387 HG1 THR 48 1HG THR 48 -2.704 -9.882 8.148 388 1HG2 THR 48 1HG2 THR 48 -6.180 -8.924 8.478 389 2HG2 THR 48 2HG2 THR 48 -5.168 -9.065 7.040 390 3HG2 THR 48 3HG2 THR 48 -5.466 -7.482 7.760 391 H SER 49 H SER 49 -4.569 -5.222 10.735 392 HA SER 49 HA SER 49 -7.079 -6.373 11.884 393 1HB SER 49 2HB SER 49 -5.661 -6.478 13.741 394 2HB SER 49 1HB SER 49 -4.736 -5.066 13.236 395 HG SER 49 HG SER 49 -6.531 -3.785 13.771 396 H GLN 50 H GLN 50 -8.389 -4.410 12.871 397 HA GLN 50 HA GLN 50 -9.024 -2.587 10.776 398 1HB GLN 50 2HB GLN 50 -10.547 -3.260 12.580 399 2HB GLN 50 1HB GLN 50 -9.510 -2.471 13.770 400 1HG GLN 50 2HG GLN 50 -9.987 -0.304 12.901 401 2HG GLN 50 1HG GLN 50 -10.710 -0.972 11.437 402 1HE2 GLN 50 1HE2 GLN 50 -12.776 -2.299 11.803 403 2HE2 GLN 50 2HE2 GLN 50 -13.805 -1.829 13.068 404 H VAL 51 H VAL 51 -7.144 -1.438 10.094 405 HA VAL 51 HA VAL 51 -6.097 0.556 12.080 406 HB VAL 51 HB VAL 51 -4.478 -1.228 11.583 407 1HG1 VAL 51 1HG1 VAL 51 -3.736 -0.893 8.948 408 2HG1 VAL 51 2HG1 VAL 51 -5.493 -0.757 8.862 409 3HG1 VAL 51 3HG1 VAL 51 -4.753 -2.202 9.551 410 1HG2 VAL 51 1HG2 VAL 51 -2.639 0.161 10.994 411 2HG2 VAL 51 2HG2 VAL 51 -3.803 1.257 11.738 412 3HG2 VAL 51 3HG2 VAL 51 -3.644 1.198 9.983 413 H GLN 52 H GLN 52 -8.093 1.667 10.916 414 HA GLN 52 HA GLN 52 -7.774 2.534 8.176 415 1HB GLN 52 2HB GLN 52 -9.715 3.883 8.696 416 2HB GLN 52 1HB GLN 52 -9.897 2.338 9.528 417 1HG GLN 52 2HG GLN 52 -8.514 3.768 11.392 418 2HG GLN 52 1HG GLN 52 -9.480 5.040 10.644 419 1HE2 GLN 52 1HE2 GLN 52 -11.831 4.889 10.824 420 2HE2 GLN 52 2HE2 GLN 52 -12.568 3.822 11.918 421 H THR 53 H THR 53 -6.668 4.293 7.397 422 HA THR 53 HA THR 53 -5.723 6.369 9.334 423 HB THR 53 HB THR 53 -3.488 6.198 8.346 424 HG1 THR 53 1HG THR 53 -3.706 5.584 6.314 425 1HG2 THR 53 1HG2 THR 53 -2.858 4.286 9.468 426 2HG2 THR 53 2HG2 THR 53 -4.168 3.325 8.783 427 3HG2 THR 53 3HG2 THR 53 -4.496 4.453 10.098 428 H GLU 54 H GLU 54 -5.289 8.439 8.285 429 HA GLU 54 HA GLU 54 -6.879 8.812 5.804 430 1HB GLU 54 2HB GLU 54 -6.940 10.150 8.069 431 2HB GLU 54 1HB GLU 54 -5.536 10.980 7.397 432 1HG GLU 54 2HG GLU 54 -7.074 12.319 6.390 433 2HG GLU 54 1HG GLU 54 -7.246 10.982 5.254 434 H ARG 55 H ARG 55 -4.471 7.469 5.290 435 HA ARG 55 HA ARG 55 -2.421 7.645 4.100 436 1HB ARG 55 2HB ARG 55 -4.587 8.553 2.734 437 2HB ARG 55 1HB ARG 55 -3.561 9.987 2.670 438 1HG ARG 55 2HG ARG 55 -2.926 8.758 0.755 439 2HG ARG 55 1HG ARG 55 -1.680 8.361 1.940 440 1HD ARG 55 2HD ARG 55 -3.862 6.530 2.295 441 2HD ARG 55 1HD ARG 55 -3.409 6.549 0.580 442 HE ARG 55 HE ARG 55 -1.451 6.101 2.802 443 1HH1 ARG 55 1HH1 ARG 55 -1.107 6.884 -0.314 444 2HH1 ARG 55 2HH1 ARG 55 -0.441 5.383 -0.865 445 1HH2 ARG 55 1HH2 ARG 55 -1.211 3.668 2.048 446 2HH2 ARG 55 2HH2 ARG 55 -0.501 3.563 0.473 447 H ASN 56 H ASN 56 -1.106 9.815 2.982 448 HA ASN 56 HA ASN 56 -0.683 11.709 5.267 449 1HB ASN 56 2HB ASN 56 1.259 9.962 3.750 450 2HB ASN 56 1HB ASN 56 1.809 11.406 4.604 451 1HD2 ASN 56 1HD2 ASN 56 1.873 11.343 6.915 452 2HD2 ASN 56 2HD2 ASN 56 1.508 9.949 7.811 453 H ILE 57 H ILE 57 -1.959 13.180 3.825 454 HA ILE 57 HA ILE 57 -2.110 14.869 2.173 455 HB ILE 57 HB ILE 57 0.911 14.760 2.361 456 1HG1 ILE 57 2HG1 ILE 57 -1.102 15.872 4.341 457 2HG1 ILE 57 1HG1 ILE 57 0.066 14.584 4.636 458 1HG2 ILE 57 1HG2 ILE 57 0.679 16.631 1.121 459 2HG2 ILE 57 2HG2 ILE 57 -0.060 17.382 2.537 460 3HG2 ILE 57 3HG2 ILE 57 -1.074 16.613 1.316 461 1HD1 ILE 57 1HD1 ILE 57 1.874 16.299 4.023 462 2HD1 ILE 57 2HD1 ILE 57 1.054 16.537 5.567 463 3HD1 ILE 57 3HD1 ILE 57 0.610 17.519 4.171 464 H ASN 58 H ASN 58 -2.477 12.505 0.934 465 HA ASN 58 HA ASN 58 -0.598 12.509 -1.405 466 1HB ASN 58 2HB ASN 58 -2.359 10.346 -0.204 467 2HB ASN 58 1HB ASN 58 -1.336 10.135 -1.627 468 1HD2 ASN 58 1HD2 ASN 58 0.981 10.025 -1.311 469 2HD2 ASN 58 2HD2 ASN 58 1.673 9.880 0.232 470 H ARG 59 H ARG 59 -3.243 14.036 -0.764 471 HA ARG 59 HA ARG 59 -5.011 13.016 -2.916 472 1HB ARG 59 2HB ARG 59 -5.211 14.523 -0.461 473 2HB ARG 59 1HB ARG 59 -5.940 15.443 -1.778 474 1HG ARG 59 2HG ARG 59 -6.571 12.528 -1.605 475 2HG ARG 59 1HG ARG 59 -7.334 13.607 -0.436 476 1HD ARG 59 2HD ARG 59 -8.328 14.938 -2.188 477 2HD ARG 59 1HD ARG 59 -7.391 14.088 -3.434 478 HE ARG 59 HE ARG 59 -8.633 11.997 -2.717 479 1HH1 ARG 59 1HH2 ARG 59 -9.772 14.400 -0.741 480 2HH1 ARG 59 2HH2 ARG 59 -11.445 14.216 -1.151 481 1HH2 ARG 59 1HH1 ARG 59 -10.833 12.065 -3.800 482 2HH2 ARG 59 2HH1 ARG 59 -12.045 12.894 -2.882 483 H ALA 60 H ALA 60 -3.473 16.135 -2.025 484 HA ALA 60 HA ALA 60 -4.009 17.391 -4.567 485 1HB ALA 60 1HB ALA 60 -3.030 19.196 -3.523 486 2HB ALA 60 2HB ALA 60 -1.699 18.230 -2.886 487 3HB ALA 60 3HB ALA 60 -3.273 18.194 -2.093 488 1H MET 1 1HT MET 1 22.059 -10.060 -36.328 489 2H MET 1 2HT MET 1 23.194 -10.815 -37.341 490 3H MET 1 3HT MET 1 23.359 -9.168 -36.956 491 HA MET 1 HA MET 1 23.673 -11.470 -35.096 492 1HB MET 1 2HB MET 1 25.405 -9.610 -36.662 493 2HB MET 1 1HB MET 1 25.964 -10.068 -35.053 494 1HG MET 1 2HG MET 1 26.256 -12.276 -35.630 495 2HG MET 1 1HG MET 1 24.943 -12.250 -36.809 496 1HE MET 1 1HE MET 1 26.627 -13.809 -37.615 497 2HE MET 1 2HE MET 1 28.033 -13.430 -38.605 498 3HE MET 1 3HE MET 1 26.415 -13.214 -39.267 499 H GLY 2 H GLY 2 21.696 -9.963 -34.195 500 1HA GLY 2 2HA GLY 2 21.310 -8.900 -32.070 501 2HA GLY 2 1HA GLY 2 22.968 -8.295 -32.103 502 HA PRO 3 HA PRO 3 20.039 -5.480 -34.743 503 1HB PRO 3 2HB PRO 3 17.608 -5.163 -33.531 504 2HB PRO 3 1HB PRO 3 17.906 -6.420 -34.749 505 1HG PRO 3 2HG PRO 3 17.838 -6.641 -31.778 506 2HG PRO 3 1HG PRO 3 17.191 -7.745 -33.005 507 1HD PRO 3 2HD PRO 3 19.533 -8.189 -31.698 508 2HD PRO 3 1HD PRO 3 19.222 -8.759 -33.354 509 H LEU 4 H LEU 4 19.689 -5.783 -31.238 510 HA LEU 4 HA LEU 4 20.827 -3.080 -30.823 511 1HB LEU 4 2HB LEU 4 18.111 -3.435 -31.084 512 2HB LEU 4 1HB LEU 4 18.322 -3.613 -29.345 513 HG LEU 4 HG LEU 4 19.809 -1.451 -29.595 514 1HD1 LEU 4 1HD1 LEU 4 18.288 -0.138 -31.464 515 2HD1 LEU 4 2HD1 LEU 4 18.463 -1.728 -32.207 516 3HD1 LEU 4 3HD1 LEU 4 19.895 -0.795 -31.774 517 1HD2 LEU 4 1HD2 LEU 4 18.069 -0.538 -28.482 518 2HD2 LEU 4 2HD2 LEU 4 17.136 -1.977 -28.892 519 3HD2 LEU 4 3HD2 LEU 4 17.068 -0.555 -29.934 520 H GLN 5 H GLN 5 20.223 -2.908 -28.072 521 HA GLN 5 HA GLN 5 22.114 -4.530 -26.798 522 1HB GLN 5 2HB GLN 5 21.027 -3.834 -24.771 523 2HB GLN 5 1HB GLN 5 20.751 -2.536 -25.932 524 1HG GLN 5 2HG GLN 5 18.548 -3.711 -26.502 525 2HG GLN 5 1HG GLN 5 18.815 -4.685 -25.055 526 1HE2 GLN 5 1HE2 GLN 5 18.310 -3.734 -23.037 527 2HE2 GLN 5 2HE2 GLN 5 17.826 -2.120 -22.847 528 H TYR 6 H TYR 6 18.898 -5.309 -27.883 529 HA TYR 6 HA TYR 6 17.717 -7.341 -27.942 530 1HB TYR 6 2HB TYR 6 20.041 -7.857 -28.897 531 2HB TYR 6 1HB TYR 6 20.418 -8.552 -27.320 532 HD1 TYR 6 1HD TYR 6 19.295 -10.569 -26.523 533 HD2 TYR 6 2HD TYR 6 18.397 -8.897 -30.378 534 HE1 TYR 6 1HE TYR 6 18.136 -12.664 -27.161 535 HE2 TYR 6 2HE TYR 6 17.238 -10.995 -31.016 536 HH TYR 6 HH TYR 6 16.564 -12.997 -30.346 537 H LYS 7 H LYS 7 17.182 -9.315 -26.555 538 HA LYS 7 HA LYS 7 17.912 -8.952 -23.681 539 1HB LYS 7 2HB LYS 7 15.112 -9.221 -24.824 540 2HB LYS 7 1HB LYS 7 15.517 -9.070 -23.114 541 1HG LYS 7 2HG LYS 7 16.793 -6.894 -23.990 542 2HG LYS 7 1HG LYS 7 15.580 -7.001 -25.266 543 1HD LYS 7 2HD LYS 7 14.693 -7.288 -22.419 544 2HD LYS 7 1HD LYS 7 15.060 -5.676 -23.033 545 1HE LYS 7 2HE LYS 7 13.367 -5.793 -24.692 546 2HE LYS 7 1HE LYS 7 13.231 -7.557 -24.542 547 1HZ LYS 7 1HZ LYS 7 12.407 -7.326 -22.325 548 2HZ LYS 7 2HZ LYS 7 11.467 -6.328 -23.329 549 3HZ LYS 7 3HZ LYS 7 12.667 -5.650 -22.335 550 H ASP 8 H ASP 8 16.195 -10.898 -22.664 551 HA ASP 8 HA ASP 8 16.922 -13.378 -24.186 552 1HB ASP 8 2HB ASP 8 17.513 -12.476 -21.400 553 2HB ASP 8 1HB ASP 8 17.161 -14.188 -21.636 554 H LEU 9 H LEU 9 15.716 -15.285 -22.768 555 HA LEU 9 HA LEU 9 12.899 -14.360 -22.314 556 1HB LEU 9 2HB LEU 9 12.253 -16.501 -23.471 557 2HB LEU 9 1HB LEU 9 13.107 -15.369 -24.518 558 HG LEU 9 HG LEU 9 14.894 -17.177 -23.046 559 1HD1 LEU 9 1HD1 LEU 9 12.542 -18.254 -24.366 560 2HD1 LEU 9 2HD1 LEU 9 13.782 -19.099 -23.440 561 3HD1 LEU 9 3HD1 LEU 9 14.017 -18.800 -25.162 562 1HD2 LEU 9 1HD2 LEU 9 14.671 -15.776 -25.594 563 2HD2 LEU 9 2HD2 LEU 9 15.219 -17.438 -25.816 564 3HD2 LEU 9 3HD2 LEU 9 16.115 -16.347 -24.759 565 H LYS 10 H LYS 10 11.649 -16.307 -21.220 566 HA LYS 10 HA LYS 10 11.447 -17.770 -19.373 567 1HB LYS 10 2HB LYS 10 13.560 -18.618 -20.850 568 2HB LYS 10 1HB LYS 10 14.377 -18.262 -19.329 569 1HG LYS 10 2HG LYS 10 12.159 -19.569 -18.424 570 2HG LYS 10 1HG LYS 10 12.425 -20.388 -19.963 571 1HD LYS 10 2HD LYS 10 13.754 -21.632 -18.480 572 2HD LYS 10 1HD LYS 10 14.915 -20.511 -19.194 573 1HE LYS 10 2HE LYS 10 14.163 -18.969 -17.152 574 2HE LYS 10 1HE LYS 10 13.775 -20.542 -16.425 575 1HZ LYS 10 1HZ LYS 10 15.923 -21.235 -16.523 576 2HZ LYS 10 2HZ LYS 10 16.213 -19.568 -16.364 577 3HZ LYS 10 3HZ LYS 10 16.291 -20.305 -17.894 578 H ILE 11 H ILE 11 11.495 -15.160 -18.639 579 HA ILE 11 HA ILE 11 13.385 -15.082 -16.313 580 HB ILE 11 HB ILE 11 13.085 -12.529 -16.679 581 1HG1 ILE 11 2HG1 ILE 11 12.519 -13.338 -19.517 582 2HG1 ILE 11 1HG1 ILE 11 11.173 -13.124 -18.395 583 1HG2 ILE 11 1HG2 ILE 11 14.510 -13.841 -18.948 584 2HG2 ILE 11 2HG2 ILE 11 15.044 -14.133 -17.293 585 3HG2 ILE 11 3HG2 ILE 11 15.012 -12.491 -17.932 586 1HD1 ILE 11 1HD1 ILE 11 13.052 -10.940 -18.127 587 2HD1 ILE 11 2HD1 ILE 11 11.338 -10.883 -18.540 588 3HD1 ILE 11 3HD1 ILE 11 12.544 -11.103 -19.808 589 H ASP 12 H ASP 12 11.412 -12.433 -16.263 590 HA ASP 12 HA ASP 12 9.803 -11.821 -14.692 591 1HB ASP 12 2HB ASP 12 8.618 -14.208 -16.138 592 2HB ASP 12 1HB ASP 12 7.671 -13.037 -15.219 593 H ILE 13 H ILE 13 8.633 -15.102 -14.488 594 HA ILE 13 HA ILE 13 8.523 -15.276 -11.704 595 HB ILE 13 HB ILE 13 8.607 -17.780 -12.186 596 1HG1 ILE 13 2HG1 ILE 13 8.846 -16.874 -15.063 597 2HG1 ILE 13 1HG1 ILE 13 10.243 -17.411 -14.129 598 1HG2 ILE 13 1HG2 ILE 13 6.857 -16.557 -14.262 599 2HG2 ILE 13 2HG2 ILE 13 6.643 -15.989 -12.607 600 3HG2 ILE 13 3HG2 ILE 13 6.452 -17.702 -12.984 601 1HD1 ILE 13 1HD1 ILE 13 8.222 -19.337 -13.690 602 2HD1 ILE 13 2HD1 ILE 13 9.700 -19.535 -14.632 603 3HD1 ILE 13 3HD1 ILE 13 8.215 -19.005 -15.423 604 H LYS 14 H LYS 14 9.914 -16.981 -10.406 605 HA LYS 14 HA LYS 14 12.020 -17.606 -9.521 606 1HB LYS 14 2HB LYS 14 12.143 -17.819 -12.285 607 2HB LYS 14 1HB LYS 14 13.535 -16.805 -11.906 608 1HG LYS 14 2HG LYS 14 14.513 -18.868 -11.598 609 2HG LYS 14 1HG LYS 14 13.853 -18.637 -9.979 610 1HD LYS 14 2HD LYS 14 11.979 -20.026 -10.424 611 2HD LYS 14 1HD LYS 14 12.258 -19.977 -12.165 612 1HE LYS 14 2HE LYS 14 13.167 -22.066 -11.663 613 2HE LYS 14 1HE LYS 14 14.606 -21.049 -11.443 614 1HZ LYS 14 1HZ LYS 14 14.361 -22.309 -9.465 615 2HZ LYS 14 2HZ LYS 14 12.701 -21.961 -9.358 616 3HZ LYS 14 3HZ LYS 14 13.848 -20.736 -9.093 617 H THR 15 H THR 15 14.550 -16.348 -10.140 618 HA THR 15 HA THR 15 14.803 -14.262 -8.379 619 HB THR 15 HB THR 15 16.633 -13.485 -10.004 620 HG1 THR 15 1HG THR 15 16.767 -14.488 -11.873 621 1HG2 THR 15 1HG2 THR 15 17.759 -15.839 -9.787 622 2HG2 THR 15 2HG2 THR 15 16.306 -16.245 -8.873 623 3HG2 THR 15 3HG2 THR 15 17.355 -14.935 -8.326 624 H SER 16 H SER 16 13.345 -12.552 -8.216 625 HA SER 16 HA SER 16 11.951 -11.381 -10.413 626 1HB SER 16 2HB SER 16 12.594 -10.309 -7.651 627 2HB SER 16 1HB SER 16 11.323 -9.716 -8.699 628 HG SER 16 HG SER 16 10.867 -11.428 -7.023 629 HA PRO 17 HA PRO 17 12.687 -8.693 -8.095 630 1HB PRO 17 2HB PRO 17 14.047 -6.387 -7.843 631 2HB PRO 17 1HB PRO 17 14.741 -7.920 -7.329 632 1HG PRO 17 2HG PRO 17 15.585 -6.206 -9.444 633 2HG PRO 17 1HG PRO 17 16.291 -7.747 -8.940 634 1HD PRO 17 2HD PRO 17 14.325 -7.204 -11.083 635 2HD PRO 17 1HD PRO 17 15.561 -8.446 -10.961 636 HA PRO 18 HA PRO 18 11.478 -5.466 -11.432 637 1HB PRO 18 2HB PRO 18 9.322 -6.666 -12.651 638 2HB PRO 18 1HB PRO 18 11.010 -6.756 -13.223 639 1HG PRO 18 2HG PRO 18 9.480 -8.749 -11.625 640 2HG PRO 18 1HG PRO 18 10.551 -8.992 -13.009 641 1HD PRO 18 2HD PRO 18 11.396 -9.405 -10.494 642 2HD PRO 18 1HD PRO 18 12.472 -8.764 -11.753 643 HA PRO 19 HA PRO 19 7.446 -5.390 -8.869 644 1HB PRO 19 2HB PRO 19 7.353 -7.076 -6.710 645 2HB PRO 19 1HB PRO 19 6.652 -7.509 -8.284 646 1HG PRO 19 2HG PRO 19 9.250 -8.324 -7.082 647 2HG PRO 19 1HG PRO 19 8.098 -9.274 -8.033 648 1HD PRO 19 2HD PRO 19 10.379 -8.247 -9.069 649 2HD PRO 19 1HD PRO 19 8.914 -8.516 -10.025 650 H GLU 20 H GLU 20 9.189 -3.694 -8.609 651 HA GLU 20 HA GLU 20 11.209 -3.629 -6.664 652 1HB GLU 20 2HB GLU 20 10.750 -1.086 -6.858 653 2HB GLU 20 1HB GLU 20 11.180 -1.971 -8.321 654 1HG GLU 20 2HG GLU 20 8.329 -2.116 -7.920 655 2HG GLU 20 1HG GLU 20 8.842 -0.430 -7.843 656 H CYS 21 H CYS 21 9.312 -4.801 -5.024 657 HA CYS 21 HA CYS 21 8.080 -2.670 -3.410 658 1HB CYS 21 2HB CYS 21 7.931 -4.969 -1.863 659 2HB CYS 21 1HB CYS 21 6.680 -4.363 -2.930 660 HG CYS 21 HG CYS 21 7.136 -6.813 -3.658 661 H ILE 22 H ILE 22 10.965 -4.672 -3.330 662 HA ILE 22 HA ILE 22 11.742 -3.847 -0.616 663 HB ILE 22 HB ILE 22 13.366 -5.028 -2.891 664 1HG1 ILE 22 2HG1 ILE 22 12.261 -6.930 -2.592 665 2HG1 ILE 22 1HG1 ILE 22 12.900 -7.015 -0.964 666 1HG2 ILE 22 1HG2 ILE 22 15.014 -4.503 -1.439 667 2HG2 ILE 22 2HG2 ILE 22 14.459 -5.943 -0.584 668 3HG2 ILE 22 3HG2 ILE 22 13.904 -4.350 -0.075 669 1HD1 ILE 22 1HD1 ILE 22 10.881 -5.447 -0.368 670 2HD1 ILE 22 2HD1 ILE 22 10.590 -7.169 -0.589 671 3HD1 ILE 22 3HD1 ILE 22 10.204 -6.038 -1.884 672 H ASN 23 H ASN 23 13.078 -3.248 -3.874 673 HA ASN 23 HA ASN 23 14.894 -1.219 -2.999 674 1HB ASN 23 2HB ASN 23 15.115 -0.728 -5.353 675 2HB ASN 23 1HB ASN 23 14.918 -2.470 -5.182 676 1HD2 ASN 23 1HD2 ASN 23 14.152 -0.481 -7.427 677 2HD2 ASN 23 2HD2 ASN 23 12.521 -0.831 -7.733 678 H ASP 24 H ASP 24 11.605 -0.894 -4.436 679 HA ASP 24 HA ASP 24 11.495 1.962 -4.255 680 1HB ASP 24 2HB ASP 24 9.938 0.311 -5.451 681 2HB ASP 24 1HB ASP 24 9.222 -0.011 -3.871 682 H LEU 25 H LEU 25 11.383 -0.608 -1.974 683 HA LEU 25 HA LEU 25 10.141 0.912 0.171 684 1HB LEU 25 2HB LEU 25 9.771 -1.331 0.453 685 2HB LEU 25 1HB LEU 25 11.255 -1.791 -0.326 686 HG LEU 25 HG LEU 25 12.160 -0.522 1.977 687 1HD1 LEU 25 1HD1 LEU 25 9.470 -1.089 2.461 688 2HD1 LEU 25 2HD1 LEU 25 10.712 -0.628 3.630 689 3HD1 LEU 25 3HD1 LEU 25 10.397 -2.333 3.302 690 1HD2 LEU 25 1HD2 LEU 25 12.620 -2.836 0.776 691 2HD2 LEU 25 2HD2 LEU 25 11.610 -3.434 2.094 692 3HD2 LEU 25 3HD2 LEU 25 13.093 -2.544 2.449 693 H LEU 26 H LEU 26 13.181 -0.707 -0.286 694 HA LEU 26 HA LEU 26 14.485 0.645 1.818 695 1HB LEU 26 2HB LEU 26 15.040 -1.578 1.307 696 2HB LEU 26 1HB LEU 26 15.184 -1.232 -0.405 697 HG LEU 26 HG LEU 26 17.103 0.219 0.090 698 1HD1 LEU 26 1HD1 LEU 26 17.298 0.877 2.242 699 2HD1 LEU 26 2HD1 LEU 26 17.876 -0.750 2.570 700 3HD1 LEU 26 3HD1 LEU 26 16.175 -0.374 2.778 701 1HD2 LEU 26 1HD2 LEU 26 16.998 -2.531 -0.113 702 2HD2 LEU 26 2HD2 LEU 26 17.961 -2.297 1.343 703 3HD2 LEU 26 3HD2 LEU 26 18.476 -1.575 -0.182 704 H GLN 27 H GLN 27 13.671 1.728 -1.204 705 HA GLN 27 HA GLN 27 16.058 3.095 -2.043 706 1HB GLN 27 2HB GLN 27 13.135 3.046 -2.567 707 2HB GLN 27 1HB GLN 27 14.003 4.497 -3.040 708 1HG GLN 27 2HG GLN 27 15.475 2.098 -3.761 709 2HG GLN 27 1HG GLN 27 13.868 2.108 -4.482 710 1HE2 GLN 27 1HE2 GLN 27 13.735 5.059 -4.654 711 2HE2 GLN 27 2HE2 GLN 27 14.787 5.514 -5.902 712 H ALA 28 H ALA 28 13.953 3.392 0.618 713 HA ALA 28 HA ALA 28 14.737 6.228 1.003 714 1HB ALA 28 1HB ALA 28 12.557 6.726 1.316 715 2HB ALA 28 2HB ALA 28 12.296 5.304 2.330 716 3HB ALA 28 3HB ALA 28 12.240 5.159 0.568 717 H VAL 29 H VAL 29 14.756 2.983 2.528 718 HA VAL 29 HA VAL 29 15.240 4.410 5.116 719 HB VAL 29 HB VAL 29 13.605 2.818 5.537 720 1HG1 VAL 29 1HG1 VAL 29 14.990 1.022 3.538 721 2HG1 VAL 29 2HG1 VAL 29 13.473 1.892 3.301 722 3HG1 VAL 29 3HG1 VAL 29 13.560 0.576 4.462 723 1HG2 VAL 29 1HG2 VAL 29 15.689 2.355 6.907 724 2HG2 VAL 29 2HG2 VAL 29 16.048 1.048 5.780 725 3HG2 VAL 29 3HG2 VAL 29 14.580 0.994 6.754 726 H ASP 30 H ASP 30 17.064 3.654 2.627 727 HA ASP 30 HA ASP 30 19.358 3.040 2.421 728 1HB ASP 30 2HB ASP 30 18.818 4.557 4.916 729 2HB ASP 30 1HB ASP 30 20.414 3.853 4.770 730 H SER 31 H SER 31 19.153 0.663 2.469 731 HA SER 31 HA SER 31 20.213 -0.456 4.964 732 1HB SER 31 2HB SER 31 17.593 0.234 4.796 733 2HB SER 31 1HB SER 31 17.485 -1.410 4.244 734 HG SER 31 HG SER 31 18.399 -0.336 6.681 735 H GLN 32 H GLN 32 21.576 -0.840 2.817 736 HA GLN 32 HA GLN 32 20.895 -2.577 0.757 737 1HB GLN 32 2HB GLN 32 23.130 -1.355 1.600 738 2HB GLN 32 1HB GLN 32 23.502 -2.989 2.153 739 1HG GLN 32 2HG GLN 32 23.824 -3.743 0.044 740 2HG GLN 32 1HG GLN 32 22.377 -2.929 -0.549 741 1HE2 GLN 32 1HE2 GLN 32 22.904 -1.444 -2.129 742 2HE2 GLN 32 2HE2 GLN 32 24.293 -0.473 -2.131 743 H GLU 33 H GLU 33 21.213 -3.343 4.158 744 HA GLU 33 HA GLU 33 21.673 -6.162 3.923 745 1HB GLU 33 2HB GLU 33 20.103 -4.526 5.939 746 2HB GLU 33 1HB GLU 33 20.678 -6.173 6.197 747 1HG GLU 33 2HG GLU 33 22.850 -4.508 5.278 748 2HG GLU 33 1HG GLU 33 22.095 -3.786 6.700 749 H VAL 34 H VAL 34 18.832 -4.128 3.544 750 HA VAL 34 HA VAL 34 16.951 -6.368 3.482 751 HB VAL 34 HB VAL 34 16.956 -3.445 3.551 752 1HG1 VAL 34 1HG1 VAL 34 15.016 -4.752 1.618 753 2HG1 VAL 34 2HG1 VAL 34 16.255 -3.569 1.210 754 3HG1 VAL 34 3HG1 VAL 34 14.891 -3.103 2.225 755 1HG2 VAL 34 1HG2 VAL 34 14.528 -4.004 4.295 756 2HG2 VAL 34 2HG2 VAL 34 15.856 -4.613 5.285 757 3HG2 VAL 34 3HG2 VAL 34 15.028 -5.687 4.158 758 H ARG 35 H ARG 35 18.624 -4.303 1.103 759 HA ARG 35 HA ARG 35 17.397 -5.633 -1.201 760 1HB ARG 35 2HB ARG 35 19.076 -3.402 -0.533 761 2HB ARG 35 1HB ARG 35 19.833 -4.339 -1.817 762 1HG ARG 35 2HG ARG 35 17.256 -4.287 -2.689 763 2HG ARG 35 1HG ARG 35 17.362 -2.722 -1.879 764 1HD ARG 35 2HD ARG 35 19.306 -2.101 -3.187 765 2HD ARG 35 1HD ARG 35 19.372 -3.721 -3.903 766 HE ARG 35 HE ARG 35 17.161 -3.235 -4.957 767 1HH1 ARG 35 1HH2 ARG 35 17.496 -0.688 -2.917 768 2HH1 ARG 35 2HH2 ARG 35 17.345 0.561 -4.107 769 1HH2 ARG 35 1HH1 ARG 35 17.599 -1.608 -6.801 770 2HH2 ARG 35 2HH1 ARG 35 17.403 0.040 -6.306 771 H ASP 36 H ASP 36 20.544 -5.648 0.480 772 HA ASP 36 HA ASP 36 21.895 -7.592 -1.083 773 1HB ASP 36 2HB ASP 36 22.696 -6.107 0.896 774 2HB ASP 36 1HB ASP 36 22.002 -7.342 1.940 775 H TYR 37 H TYR 37 19.384 -7.684 1.247 776 HA TYR 37 HA TYR 37 19.312 -10.543 1.706 777 1HB TYR 37 2HB TYR 37 18.522 -9.258 3.459 778 2HB TYR 37 1HB TYR 37 17.799 -8.053 2.401 779 HD1 TYR 37 1HD TYR 37 15.755 -8.583 1.132 780 HD2 TYR 37 2HD TYR 37 17.282 -11.187 4.174 781 HE1 TYR 37 1HE TYR 37 13.629 -9.806 1.120 782 HE2 TYR 37 2HE TYR 37 15.129 -12.417 4.201 783 HH TYR 37 HH TYR 37 12.549 -11.646 1.895 784 H CYS 38 H CYS 38 17.312 -8.109 0.078 785 HA CYS 38 HA CYS 38 15.424 -9.719 -1.183 786 1HB CYS 38 2HB CYS 38 15.701 -7.193 -1.007 787 2HB CYS 38 1HB CYS 38 16.824 -7.316 -2.341 788 HG CYS 38 HG CYS 38 14.939 -7.920 -3.920 789 H GLU 39 H GLU 39 18.635 -8.746 -2.456 790 HA GLU 39 HA GLU 39 18.407 -10.480 -4.792 791 1HB GLU 39 2HB GLU 39 20.861 -9.854 -4.950 792 2HB GLU 39 1HB GLU 39 19.794 -8.455 -4.793 793 1HG GLU 39 2HG GLU 39 20.895 -7.845 -2.930 794 2HG GLU 39 1HG GLU 39 20.381 -9.354 -2.167 795 H LYS 40 H LYS 40 18.975 -10.970 -1.462 796 HA LYS 40 HA LYS 40 20.704 -13.325 -1.832 797 1HB LYS 40 2HB LYS 40 20.962 -11.943 0.199 798 2HB LYS 40 1HB LYS 40 19.245 -12.138 0.565 799 1HG LYS 40 2HG LYS 40 19.487 -14.467 0.983 800 2HG LYS 40 1HG LYS 40 21.115 -14.493 0.311 801 1HD LYS 40 2HD LYS 40 22.042 -13.762 2.247 802 2HD LYS 40 1HD LYS 40 20.783 -12.549 2.481 803 1HE LYS 40 2HE LYS 40 19.235 -14.462 3.175 804 2HE LYS 40 1HE LYS 40 20.686 -15.482 3.236 805 1HZ LYS 40 1HZ LYS 40 21.666 -13.529 4.566 806 2HZ LYS 40 2HZ LYS 40 20.603 -14.590 5.359 807 3HZ LYS 40 3HZ LYS 40 20.052 -13.075 4.822 808 H LYS 41 H LYS 41 17.478 -12.268 -1.333 809 HA LYS 41 HA LYS 41 16.166 -14.739 -0.771 810 1HB LYS 41 2HB LYS 41 15.261 -12.218 -2.151 811 2HB LYS 41 1HB LYS 41 14.226 -13.384 -1.370 812 1HG LYS 41 2HG LYS 41 15.836 -11.227 -0.251 813 2HG LYS 41 1HG LYS 41 14.337 -11.925 0.334 814 1HD LYS 41 2HD LYS 41 16.898 -13.481 0.532 815 2HD LYS 41 1HD LYS 41 16.471 -12.292 1.704 816 1HE LYS 41 2HE LYS 41 14.495 -13.438 2.346 817 2HE LYS 41 1HE LYS 41 14.545 -14.438 0.891 818 1HZ LYS 41 1HZ LYS 41 16.640 -14.429 2.997 819 2HZ LYS 41 2HZ LYS 41 16.581 -15.442 1.634 820 3HZ LYS 41 3HZ LYS 41 15.422 -15.604 2.866 821 H GLY 42 H GLY 42 16.289 -12.620 -3.532 822 1HA GLY 42 2HA GLY 42 17.094 -13.791 -5.640 823 2HA GLY 42 1HA GLY 42 15.743 -14.867 -5.373 824 H TRP 43 H TRP 43 16.311 -11.363 -5.417 825 HA TRP 43 HA TRP 43 14.097 -11.105 -7.399 826 1HB TRP 43 2HB TRP 43 14.868 -8.804 -5.683 827 2HB TRP 43 1HB TRP 43 13.370 -9.105 -6.467 828 HD1 TRP 43 HD TRP 43 14.950 -11.657 -4.175 829 HE1 TRP 43 1HE TRP 43 13.562 -11.884 -2.161 830 HE3 TRP 43 3HE TRP 43 11.533 -7.930 -4.894 831 HZ2 TRP 43 2HZ TRP 43 11.450 -10.750 -0.803 832 HZ3 TRP 43 3HZ TRP 43 9.835 -7.518 -3.162 833 HH2 TRP 43 HH TRP 43 9.751 -8.929 -1.111 834 H ILE 44 H ILE 44 16.709 -9.793 -5.765 835 HA ILE 44 HA ILE 44 18.769 -9.120 -6.466 836 HB ILE 44 HB ILE 44 17.718 -9.034 -9.265 837 1HG1 ILE 44 2HG1 ILE 44 19.117 -11.461 -8.326 838 2HG1 ILE 44 1HG1 ILE 44 17.499 -11.263 -7.713 839 1HG2 ILE 44 1HG2 ILE 44 20.293 -9.965 -9.321 840 2HG2 ILE 44 2HG2 ILE 44 20.342 -8.985 -7.849 841 3HG2 ILE 44 3HG2 ILE 44 19.890 -8.247 -9.393 842 1HD1 ILE 44 1HD1 ILE 44 16.544 -11.615 -9.738 843 2HD1 ILE 44 2HD1 ILE 44 18.098 -12.338 -10.162 844 3HD1 ILE 44 3HD1 ILE 44 17.764 -10.657 -10.576 845 H VAL 45 H VAL 45 16.165 -7.572 -6.264 846 HA VAL 45 HA VAL 45 15.769 -5.290 -7.611 847 HB VAL 45 HB VAL 45 15.553 -4.210 -5.327 848 1HG1 VAL 45 1HG1 VAL 45 13.700 -5.441 -6.324 849 2HG1 VAL 45 2HG1 VAL 45 13.772 -5.768 -4.595 850 3HG1 VAL 45 3HG1 VAL 45 14.379 -6.959 -5.741 851 1HG2 VAL 45 1HG2 VAL 45 17.448 -5.429 -4.284 852 2HG2 VAL 45 2HG2 VAL 45 16.521 -6.923 -4.418 853 3HG2 VAL 45 3HG2 VAL 45 15.951 -5.622 -3.375 854 H ASN 46 H ASN 46 17.441 -4.277 -8.780 855 HA ASN 46 HA ASN 46 19.260 -2.537 -7.318 856 1HB ASN 46 2HB ASN 46 20.469 -4.558 -6.926 857 2HB ASN 46 1HB ASN 46 20.214 -5.115 -8.579 858 1HD2 ASN 46 1HD2 ASN 46 22.502 -5.258 -9.057 859 2HD2 ASN 46 2HD2 ASN 46 23.472 -3.875 -9.207 860 H ILE 47 H ILE 47 20.499 -1.165 -8.799 861 HA ILE 47 HA ILE 47 19.681 -1.369 -11.677 862 HB ILE 47 HB ILE 47 18.283 0.274 -10.525 863 1HG1 ILE 47 2HG1 ILE 47 19.325 2.418 -11.682 864 2HG1 ILE 47 1HG1 ILE 47 20.432 1.238 -12.383 865 1HG2 ILE 47 1HG2 ILE 47 20.055 2.305 -9.765 866 2HG2 ILE 47 2HG2 ILE 47 20.800 0.823 -9.165 867 3HG2 ILE 47 3HG2 ILE 47 19.156 1.243 -8.681 868 1HD1 ILE 47 1HD1 ILE 47 17.409 1.245 -12.586 869 2HD1 ILE 47 2HD1 ILE 47 18.424 -0.092 -13.124 870 3HD1 ILE 47 3HD1 ILE 47 18.563 1.486 -13.898 871 H THR 48 H THR 48 21.372 -0.969 -13.106 872 HA THR 48 HA THR 48 24.084 -0.895 -12.122 873 HB THR 48 HB THR 48 23.598 -0.032 -14.893 874 HG1 THR 48 1HG THR 48 22.617 -2.556 -14.085 875 1HG2 THR 48 1HG2 THR 48 24.736 -2.669 -14.029 876 2HG2 THR 48 2HG2 THR 48 25.639 -1.189 -13.702 877 3HG2 THR 48 3HG2 THR 48 25.228 -1.626 -15.362 878 H SER 49 H SER 49 25.494 0.851 -11.926 879 HA SER 49 HA SER 49 24.622 3.533 -12.880 880 1HB SER 49 2HB SER 49 24.759 4.473 -10.678 881 2HB SER 49 1HB SER 49 23.798 3.006 -10.513 882 HG SER 49 HG SER 49 25.342 2.943 -8.933 883 H GLN 50 H GLN 50 26.521 5.151 -12.232 884 HA GLN 50 HA GLN 50 28.863 4.525 -13.604 885 1HB GLN 50 2HB GLN 50 28.147 6.754 -12.767 886 2HB GLN 50 1HB GLN 50 28.552 6.252 -11.125 887 1HG GLN 50 2HG GLN 50 30.753 6.636 -11.452 888 2HG GLN 50 1HG GLN 50 30.747 5.773 -12.989 889 1HE2 GLN 50 1HE2 GLN 50 30.400 8.959 -11.500 890 2HE2 GLN 50 2HE2 GLN 50 30.406 9.839 -12.952 891 H VAL 51 H VAL 51 29.769 2.472 -13.160 892 HA VAL 51 HA VAL 51 31.334 2.278 -10.665 893 HB VAL 51 HB VAL 51 29.052 0.424 -11.405 894 1HG1 VAL 51 1HG1 VAL 51 31.472 0.009 -9.710 895 2HG1 VAL 51 2HG1 VAL 51 30.537 -1.162 -10.640 896 3HG1 VAL 51 3HG1 VAL 51 29.937 -0.591 -9.084 897 1HG2 VAL 51 1HG2 VAL 51 28.398 0.989 -9.013 898 2HG2 VAL 51 2HG2 VAL 51 28.302 2.334 -10.148 899 3HG2 VAL 51 3HG2 VAL 51 29.666 2.213 -9.038 900 H GLN 52 H GLN 52 30.152 -0.183 -12.968 901 HA GLN 52 HA GLN 52 31.405 -1.746 -14.244 902 1HB GLN 52 2HB GLN 52 32.926 0.820 -14.799 903 2HB GLN 52 1HB GLN 52 32.773 -0.567 -15.878 904 1HG GLN 52 2HG GLN 52 30.273 -0.204 -15.851 905 2HG GLN 52 1HG GLN 52 30.565 1.302 -14.979 906 1HE2 GLN 52 1HE2 GLN 52 30.413 -0.100 -18.112 907 2HE2 GLN 52 2HE2 GLN 52 31.063 1.207 -18.976 908 H THR 53 H THR 53 32.247 -2.371 -11.861 909 HA THR 53 HA THR 53 35.027 -3.042 -12.099 910 HB THR 53 HB THR 53 35.286 -0.621 -11.762 911 HG1 THR 53 1HG THR 53 36.923 -1.149 -10.591 912 1HG2 THR 53 1HG2 THR 53 33.877 0.517 -10.435 913 2HG2 THR 53 2HG2 THR 53 34.411 -0.412 -9.035 914 3HG2 THR 53 3HG2 THR 53 33.073 -0.999 -10.025 915 H GLU 54 H GLU 54 34.721 -5.038 -11.146 916 HA GLU 54 HA GLU 54 33.920 -5.095 -8.291 917 1HB GLU 54 2HB GLU 54 31.826 -5.282 -9.544 918 2HB GLU 54 1HB GLU 54 32.501 -6.580 -10.529 919 1HG GLU 54 2HG GLU 54 32.952 -7.576 -8.042 920 2HG GLU 54 1HG GLU 54 31.476 -6.653 -7.751 921 H ARG 55 H ARG 55 33.857 -7.849 -10.498 922 HA ARG 55 HA ARG 55 36.090 -9.078 -8.978 923 1HB ARG 55 2HB ARG 55 33.670 -9.913 -10.209 924 2HB ARG 55 1HB ARG 55 34.981 -10.696 -11.094 925 1HG ARG 55 2HG ARG 55 34.560 -12.194 -9.328 926 2HG ARG 55 1HG ARG 55 35.934 -11.257 -8.740 927 1HD ARG 55 2HD ARG 55 34.504 -9.872 -7.370 928 2HD ARG 55 1HD ARG 55 33.045 -10.573 -8.098 929 HE ARG 55 HE ARG 55 34.621 -12.710 -7.083 930 1HH1 ARG 55 1HH1 ARG 55 34.448 -10.119 -5.164 931 2HH1 ARG 55 2HH1 ARG 55 33.317 -10.750 -4.013 932 1HH2 ARG 55 1HH2 ARG 55 32.450 -13.483 -5.961 933 2HH2 ARG 55 2HH2 ARG 55 32.187 -12.654 -4.464 934 H ASN 56 H ASN 56 37.710 -10.357 -10.373 935 HA ASN 56 HA ASN 56 38.569 -8.633 -12.661 936 1HB ASN 56 2HB ASN 56 39.946 -10.437 -10.670 937 2HB ASN 56 1HB ASN 56 40.771 -9.906 -12.136 938 1HD2 ASN 56 1HD2 ASN 56 40.045 -9.009 -8.922 939 2HD2 ASN 56 2HD2 ASN 56 40.470 -7.369 -9.032 940 H ILE 57 H ILE 57 39.257 -12.039 -11.846 941 HA ILE 57 HA ILE 57 38.255 -12.799 -14.571 942 HB ILE 57 HB ILE 57 40.209 -14.376 -14.589 943 1HG1 ILE 57 2HG1 ILE 57 40.959 -12.847 -12.074 944 2HG1 ILE 57 1HG1 ILE 57 40.473 -14.542 -12.133 945 1HG2 ILE 57 1HG2 ILE 57 40.649 -12.423 -15.796 946 2HG2 ILE 57 2HG2 ILE 57 41.957 -12.411 -14.613 947 3HG2 ILE 57 3HG2 ILE 57 40.535 -11.396 -14.367 948 1HD1 ILE 57 1HD1 ILE 57 42.710 -14.933 -12.310 949 2HD1 ILE 57 2HD1 ILE 57 43.049 -13.294 -12.870 950 3HD1 ILE 57 3HD1 ILE 57 42.462 -14.510 -14.004 951 H ASN 58 H ASN 58 38.417 -13.536 -11.165 952 HA ASN 58 HA ASN 58 37.256 -15.165 -9.902 953 1HB ASN 58 2HB ASN 58 35.556 -14.322 -11.725 954 2HB ASN 58 1HB ASN 58 35.828 -15.908 -12.446 955 1HD2 ASN 58 1HD2 ASN 58 33.715 -16.748 -11.909 956 2HD2 ASN 58 2HD2 ASN 58 33.250 -17.057 -10.306 957 H ARG 59 H ARG 59 38.488 -16.929 -9.359 958 HA ARG 59 HA ARG 59 39.134 -18.912 -11.521 959 1HB ARG 59 2HB ARG 59 40.717 -17.951 -9.118 960 2HB ARG 59 1HB ARG 59 41.208 -19.307 -10.134 961 1HG ARG 59 2HG ARG 59 40.555 -17.126 -11.856 962 2HG ARG 59 1HG ARG 59 41.625 -16.514 -10.593 963 1HD ARG 59 2HD ARG 59 42.160 -18.933 -12.358 964 2HD ARG 59 1HD ARG 59 42.990 -17.366 -12.444 965 HE ARG 59 HE ARG 59 43.395 -19.404 -10.376 966 1HH1 ARG 59 1HH2 ARG 59 45.583 -17.716 -11.536 967 2HH1 ARG 59 2HH2 ARG 59 45.908 -16.608 -10.246 968 1HH2 ARG 59 1HH1 ARG 59 42.943 -17.271 -8.575 969 2HH2 ARG 59 2HH1 ARG 59 44.413 -16.355 -8.569 970 H ALA 60 H ALA 60 36.877 -19.671 -10.569 971 HA ALA 60 HA ALA 60 35.708 -21.272 -9.279 972 1HB ALA 60 1HB ALA 60 37.454 -22.662 -10.304 973 2HB ALA 60 2HB ALA 60 37.158 -23.205 -8.653 974 3HB ALA 60 3HB ALA 60 38.579 -22.226 -9.018 Start of MODEL 7 1 1H MET 1 1HT MET 1 -1.571 -20.126 -20.367 2 2H MET 1 2HT MET 1 -0.455 -20.514 -21.586 3 3H MET 1 3HT MET 1 -2.093 -20.286 -21.973 4 HA MET 1 HA MET 1 -0.034 -18.276 -21.349 5 1HB MET 1 2HB MET 1 -1.782 -19.180 -23.500 6 2HB MET 1 1HB MET 1 -1.948 -17.446 -23.220 7 1HG MET 1 2HG MET 1 0.590 -17.311 -23.257 8 2HG MET 1 1HG MET 1 0.590 -18.977 -23.833 9 1HE MET 1 1HE MET 1 1.339 -15.946 -24.613 10 2HE MET 1 2HE MET 1 -0.183 -15.134 -24.970 11 3HE MET 1 3HE MET 1 0.909 -15.561 -26.285 12 H GLY 2 H GLY 2 -0.534 -16.623 -19.964 13 1HA GLY 2 2HA GLY 2 -3.220 -16.483 -18.787 14 2HA GLY 2 1HA GLY 2 -1.834 -15.488 -18.330 15 HA PRO 3 HA PRO 3 -4.715 -13.396 -21.534 16 1HB PRO 3 2HB PRO 3 -6.680 -12.337 -19.960 17 2HB PRO 3 1HB PRO 3 -6.820 -13.942 -20.708 18 1HG PRO 3 2HG PRO 3 -6.082 -13.213 -17.915 19 2HG PRO 3 1HG PRO 3 -7.110 -14.534 -18.504 20 1HD PRO 3 2HD PRO 3 -4.527 -14.885 -17.716 21 2HD PRO 3 1HD PRO 3 -5.324 -15.905 -18.936 22 H LEU 4 H LEU 4 -4.016 -12.539 -18.172 23 HA LEU 4 HA LEU 4 -2.705 -10.027 -19.038 24 1HB LEU 4 2HB LEU 4 -5.377 -10.066 -18.389 25 2HB LEU 4 1HB LEU 4 -4.643 -9.709 -16.830 26 HG LEU 4 HG LEU 4 -3.294 -7.900 -18.001 27 1HD1 LEU 4 1HD1 LEU 4 -3.374 -8.358 -20.279 28 2HD1 LEU 4 2HD1 LEU 4 -4.636 -7.135 -20.146 29 3HD1 LEU 4 3HD1 LEU 4 -5.068 -8.843 -20.228 30 1HD2 LEU 4 1HD2 LEU 4 -5.965 -6.919 -18.503 31 2HD2 LEU 4 2HD2 LEU 4 -4.878 -6.527 -17.170 32 3HD2 LEU 4 3HD2 LEU 4 -5.961 -7.915 -17.048 33 H GLN 5 H GLN 5 -2.086 -8.870 -16.724 34 HA GLN 5 HA GLN 5 -0.131 -10.390 -15.437 35 1HB GLN 5 2HB GLN 5 -1.440 -7.894 -15.142 36 2HB GLN 5 1HB GLN 5 -1.514 -8.666 -13.558 37 1HG GLN 5 2HG GLN 5 0.846 -8.875 -13.426 38 2HG GLN 5 1HG GLN 5 1.050 -8.562 -15.150 39 1HE2 GLN 5 1HE2 GLN 5 1.376 -7.085 -12.167 40 2HE2 GLN 5 2HE2 GLN 5 1.200 -5.465 -12.644 41 H TYR 6 H TYR 6 -3.601 -10.483 -15.049 42 HA TYR 6 HA TYR 6 -4.996 -11.758 -13.632 43 1HB TYR 6 2HB TYR 6 -3.612 -13.295 -15.242 44 2HB TYR 6 1HB TYR 6 -2.773 -13.785 -13.770 45 HD1 TYR 6 1HD TYR 6 -4.352 -14.364 -11.721 46 HD2 TYR 6 2HD TYR 6 -5.566 -14.433 -15.843 47 HE1 TYR 6 1HE TYR 6 -6.233 -15.872 -11.140 48 HE2 TYR 6 2HE TYR 6 -7.447 -15.943 -15.261 49 HH TYR 6 HH TYR 6 -7.865 -17.169 -11.949 50 H LYS 7 H LYS 7 -4.744 -10.488 -11.672 51 HA LYS 7 HA LYS 7 -3.522 -11.959 -9.461 52 1HB LYS 7 2HB LYS 7 -2.190 -9.697 -10.837 53 2HB LYS 7 1HB LYS 7 -2.212 -9.591 -9.077 54 1HG LYS 7 2HG LYS 7 -1.560 -12.250 -9.551 55 2HG LYS 7 1HG LYS 7 -0.677 -11.380 -10.805 56 1HD LYS 7 2HD LYS 7 -0.562 -10.096 -8.159 57 2HD LYS 7 1HD LYS 7 0.192 -11.690 -8.215 58 1HE LYS 7 2HE LYS 7 1.866 -10.000 -8.804 59 2HE LYS 7 1HE LYS 7 1.470 -10.933 -10.261 60 1HZ LYS 7 1HZ LYS 7 1.280 -8.675 -10.874 61 2HZ LYS 7 2HZ LYS 7 0.422 -8.275 -9.463 62 3HZ LYS 7 3HZ LYS 7 -0.311 -9.223 -10.668 63 H ASP 8 H ASP 8 -6.174 -11.219 -9.823 64 HA ASP 8 HA ASP 8 -7.937 -10.098 -8.715 65 1HB ASP 8 2HB ASP 8 -5.772 -9.286 -6.761 66 2HB ASP 8 1HB ASP 8 -7.471 -9.619 -6.420 67 H LEU 9 H LEU 9 -7.077 -7.631 -7.004 68 HA LEU 9 HA LEU 9 -6.943 -5.735 -9.320 69 1HB LEU 9 2HB LEU 9 -8.156 -4.215 -7.828 70 2HB LEU 9 1HB LEU 9 -8.994 -5.767 -7.894 71 HG LEU 9 HG LEU 9 -7.266 -6.206 -5.827 72 1HD1 LEU 9 1HD1 LEU 9 -7.493 -4.135 -4.385 73 2HD1 LEU 9 2HD1 LEU 9 -8.018 -3.271 -5.831 74 3HD1 LEU 9 3HD1 LEU 9 -6.396 -3.962 -5.756 75 1HD2 LEU 9 1HD2 LEU 9 -10.078 -5.696 -6.221 76 2HD2 LEU 9 2HD2 LEU 9 -9.562 -4.991 -4.688 77 3HD2 LEU 9 3HD2 LEU 9 -9.303 -6.708 -5.002 78 H LYS 10 H LYS 10 -6.064 -3.464 -8.309 79 HA LYS 10 HA LYS 10 -3.778 -3.921 -6.476 80 1HB LYS 10 2HB LYS 10 -2.262 -2.904 -8.251 81 2HB LYS 10 1HB LYS 10 -2.859 -4.523 -8.620 82 1HG LYS 10 2HG LYS 10 -3.745 -3.731 -10.528 83 2HG LYS 10 1HG LYS 10 -4.805 -2.692 -9.576 84 1HD LYS 10 2HD LYS 10 -3.618 -1.184 -10.959 85 2HD LYS 10 1HD LYS 10 -2.779 -1.098 -9.410 86 1HE LYS 10 2HE LYS 10 -1.172 -2.861 -10.292 87 2HE LYS 10 1HE LYS 10 -1.921 -2.629 -11.884 88 1HZ LYS 10 1HZ LYS 10 -0.491 -0.642 -10.223 89 2HZ LYS 10 2HZ LYS 10 -1.570 -0.161 -11.443 90 3HZ LYS 10 3HZ LYS 10 -0.193 -1.074 -11.836 91 H ILE 11 H ILE 11 -6.350 -2.192 -6.805 92 HA ILE 11 HA ILE 11 -5.001 0.406 -6.172 93 HB ILE 11 HB ILE 11 -6.986 1.437 -7.409 94 1HG1 ILE 11 2HG1 ILE 11 -7.197 -1.297 -8.674 95 2HG1 ILE 11 1HG1 ILE 11 -8.234 -0.823 -7.327 96 1HG2 ILE 11 1HG2 ILE 11 -5.099 -0.291 -9.004 97 2HG2 ILE 11 2HG2 ILE 11 -4.718 1.298 -8.343 98 3HG2 ILE 11 3HG2 ILE 11 -5.959 1.135 -9.585 99 1HD1 ILE 11 1HD1 ILE 11 -9.454 0.615 -8.605 100 2HD1 ILE 11 2HD1 ILE 11 -8.836 -0.350 -9.946 101 3HD1 ILE 11 3HD1 ILE 11 -8.042 1.163 -9.507 102 H ASP 12 H ASP 12 -8.221 0.954 -6.255 103 HA ASP 12 HA ASP 12 -9.750 1.378 -4.568 104 1HB ASP 12 2HB ASP 12 -8.791 -1.454 -4.137 105 2HB ASP 12 1HB ASP 12 -10.127 -0.779 -3.203 106 H ILE 13 H ILE 13 -7.983 -0.758 -2.430 107 HA ILE 13 HA ILE 13 -7.786 1.245 -0.355 108 HB ILE 13 HB ILE 13 -8.005 -1.293 -0.181 109 1HG1 ILE 13 2HG1 ILE 13 -6.314 -1.371 1.775 110 2HG1 ILE 13 1HG1 ILE 13 -5.936 0.296 1.342 111 1HG2 ILE 13 1HG2 ILE 13 -5.954 -2.601 -0.301 112 2HG2 ILE 13 2HG2 ILE 13 -5.013 -1.154 -0.663 113 3HG2 ILE 13 3HG2 ILE 13 -6.184 -1.761 -1.835 114 1HD1 ILE 13 1HD1 ILE 13 -8.092 1.059 1.865 115 2HD1 ILE 13 2HD1 ILE 13 -7.796 -0.143 3.122 116 3HD1 ILE 13 3HD1 ILE 13 -8.796 -0.553 1.728 117 H LYS 14 H LYS 14 -5.888 2.280 0.438 118 HA LYS 14 HA LYS 14 -3.638 2.446 -1.533 119 1HB LYS 14 2HB LYS 14 -5.068 4.462 -0.877 120 2HB LYS 14 1HB LYS 14 -4.348 4.335 0.728 121 1HG LYS 14 2HG LYS 14 -2.884 5.833 -0.280 122 2HG LYS 14 1HG LYS 14 -2.081 4.302 -0.634 123 1HD LYS 14 2HD LYS 14 -2.978 4.246 -2.858 124 2HD LYS 14 1HD LYS 14 -4.073 5.586 -2.516 125 1HE LYS 14 2HE LYS 14 -2.473 7.020 -3.230 126 2HE LYS 14 1HE LYS 14 -1.429 6.477 -1.902 127 1HZ LYS 14 1HZ LYS 14 -1.717 5.214 -4.575 128 2HZ LYS 14 2HZ LYS 14 -0.865 4.517 -3.280 129 3HZ LYS 14 3HZ LYS 14 -0.337 5.982 -3.959 130 H THR 15 H THR 15 -4.499 1.548 1.710 131 HA THR 15 HA THR 15 -1.644 1.382 2.552 132 HB THR 15 HB THR 15 -2.838 0.866 4.768 133 HG1 THR 15 1HG THR 15 -4.875 0.465 4.398 134 1HG2 THR 15 1HG2 THR 15 -1.854 3.060 4.159 135 2HG2 THR 15 2HG2 THR 15 -3.308 3.237 5.143 136 3HG2 THR 15 3HG2 THR 15 -3.382 3.514 3.402 137 H SER 16 H SER 16 -0.766 -0.580 1.845 138 HA SER 16 HA SER 16 -2.301 -2.935 1.345 139 1HB SER 16 2HB SER 16 0.657 -2.508 1.864 140 2HB SER 16 1HB SER 16 -0.037 -3.964 1.176 141 HG SER 16 HG SER 16 -0.181 -1.332 0.140 142 HA PRO 17 HA PRO 17 0.908 -4.004 2.674 143 1HB PRO 17 2HB PRO 17 2.051 -5.293 4.738 144 2HB PRO 17 1HB PRO 17 1.882 -3.541 4.727 145 1HG PRO 17 2HG PRO 17 0.629 -5.439 6.449 146 2HG PRO 17 1HG PRO 17 0.463 -3.680 6.457 147 1HD PRO 17 2HD PRO 17 -1.259 -5.712 5.178 148 2HD PRO 17 1HD PRO 17 -1.656 -4.129 5.827 149 HA PRO 18 HA PRO 18 -0.818 -8.452 3.282 150 1HB PRO 18 2HB PRO 18 -2.420 -8.776 1.068 151 2HB PRO 18 1HB PRO 18 -2.980 -8.239 2.674 152 1HG PRO 18 2HG PRO 18 -2.342 -6.590 0.279 153 2HG PRO 18 1HG PRO 18 -3.703 -6.478 1.399 154 1HD PRO 18 2HD PRO 18 -1.580 -4.846 1.603 155 2HD PRO 18 1HD PRO 18 -2.466 -5.418 3.030 156 HA PRO 19 HA PRO 19 1.544 -9.180 -0.815 157 1HB PRO 19 2HB PRO 19 2.829 -6.994 -1.859 158 2HB PRO 19 1HB PRO 19 1.218 -7.499 -2.410 159 1HG PRO 19 2HG PRO 19 1.974 -5.344 -0.494 160 2HG PRO 19 1HG PRO 19 0.734 -5.345 -1.760 161 1HD PRO 19 2HD PRO 19 0.152 -5.701 0.853 162 2HD PRO 19 1HD PRO 19 -0.793 -6.437 -0.450 163 H GLU 20 H GLU 20 2.413 -9.746 1.423 164 HA GLU 20 HA GLU 20 4.226 -8.297 2.975 165 1HB GLU 20 2HB GLU 20 5.075 -10.700 3.498 166 2HB GLU 20 1HB GLU 20 3.390 -10.306 3.827 167 1HG GLU 20 2HG GLU 20 2.697 -11.885 2.377 168 2HG GLU 20 1HG GLU 20 3.683 -11.191 1.090 169 H CYS 21 H CYS 21 5.289 -7.442 0.578 170 HA CYS 21 HA CYS 21 7.616 -9.137 -0.039 171 1HB CYS 21 2HB CYS 21 8.123 -6.675 -1.233 172 2HB CYS 21 1HB CYS 21 7.399 -8.071 -2.008 173 HG CYS 21 HG CYS 21 5.688 -6.199 -2.389 174 H ILE 22 H ILE 22 6.878 -6.292 1.890 175 HA ILE 22 HA ILE 22 9.695 -5.710 2.501 176 HB ILE 22 HB ILE 22 7.152 -4.892 3.941 177 1HG1 ILE 22 2HG1 ILE 22 6.657 -3.634 2.164 178 2HG1 ILE 22 1HG1 ILE 22 8.096 -2.691 2.494 179 1HG2 ILE 22 1HG2 ILE 22 8.988 -4.435 5.332 180 2HG2 ILE 22 2HG2 ILE 22 8.692 -2.911 4.501 181 3HG2 ILE 22 3HG2 ILE 22 10.008 -3.951 3.977 182 1HD1 ILE 22 1HD1 ILE 22 8.449 -3.305 0.266 183 2HD1 ILE 22 2HD1 ILE 22 7.703 -4.888 0.476 184 3HD1 ILE 22 3HD1 ILE 22 9.315 -4.580 1.118 185 H ASN 23 H ASN 23 6.931 -6.896 4.444 186 HA ASN 23 HA ASN 23 8.561 -7.623 6.689 187 1HB ASN 23 2HB ASN 23 6.614 -8.832 7.428 188 2HB ASN 23 1HB ASN 23 6.059 -7.360 6.633 189 1HD2 ASN 23 1HD2 ASN 23 4.886 -10.253 6.940 190 2HD2 ASN 23 2HD2 ASN 23 4.413 -10.639 5.358 191 H ASP 24 H ASP 24 7.315 -9.711 4.004 192 HA ASP 24 HA ASP 24 8.646 -12.089 4.791 193 1HB ASP 24 2HB ASP 24 6.965 -11.680 2.904 194 2HB ASP 24 1HB ASP 24 8.316 -11.038 1.966 195 H LEU 25 H LEU 25 9.746 -9.075 3.537 196 HA LEU 25 HA LEU 25 12.355 -10.041 2.702 197 1HB LEU 25 2HB LEU 25 11.688 -8.247 1.446 198 2HB LEU 25 1HB LEU 25 10.788 -7.524 2.744 199 HG LEU 25 HG LEU 25 13.427 -7.389 3.650 200 1HD1 LEU 25 1HD1 LEU 25 13.632 -7.850 0.942 201 2HD1 LEU 25 2HD1 LEU 25 14.869 -7.158 1.996 202 3HD1 LEU 25 3HD1 LEU 25 13.778 -6.098 1.098 203 1HD2 LEU 25 1HD2 LEU 25 11.901 -5.616 4.012 204 2HD2 LEU 25 2HD2 LEU 25 11.640 -5.391 2.281 205 3HD2 LEU 25 3HD2 LEU 25 13.186 -4.949 3.008 206 H LEU 26 H LEU 26 11.255 -7.558 4.849 207 HA LEU 26 HA LEU 26 13.663 -7.337 6.257 208 1HB LEU 26 2HB LEU 26 12.263 -5.478 5.991 209 2HB LEU 26 1HB LEU 26 10.849 -6.372 6.519 210 HG LEU 26 HG LEU 26 11.820 -6.583 8.746 211 1HD1 LEU 26 1HD1 LEU 26 14.063 -6.336 8.829 212 2HD1 LEU 26 2HD1 LEU 26 13.749 -4.611 8.746 213 3HD1 LEU 26 3HD1 LEU 26 14.092 -5.502 7.275 214 1HD2 LEU 26 1HD2 LEU 26 10.949 -4.561 9.377 215 2HD2 LEU 26 2HD2 LEU 26 10.553 -4.417 7.665 216 3HD2 LEU 26 3HD2 LEU 26 12.014 -3.667 8.294 217 H GLN 27 H GLN 27 11.229 -9.685 6.564 218 HA GLN 27 HA GLN 27 11.231 -10.023 9.417 219 1HB GLN 27 2HB GLN 27 10.592 -11.683 6.974 220 2HB GLN 27 1HB GLN 27 10.458 -12.350 8.593 221 1HG GLN 27 2HG GLN 27 9.227 -9.700 8.245 222 2HG GLN 27 1HG GLN 27 8.457 -10.993 7.334 223 1HE2 GLN 27 1HE2 GLN 27 7.438 -9.532 9.725 224 2HE2 GLN 27 2HE2 GLN 27 7.130 -10.721 10.890 225 H ALA 28 H ALA 28 13.593 -10.349 7.003 226 HA ALA 28 HA ALA 28 15.111 -12.357 8.585 227 1HB ALA 28 1HB ALA 28 14.243 -12.343 5.935 228 2HB ALA 28 2HB ALA 28 15.446 -13.431 6.632 229 3HB ALA 28 3HB ALA 28 15.961 -11.940 5.834 230 H VAL 29 H VAL 29 15.240 -9.020 7.261 231 HA VAL 29 HA VAL 29 18.176 -9.098 7.843 232 HB VAL 29 HB VAL 29 17.962 -8.281 5.685 233 1HG1 VAL 29 1HG1 VAL 29 16.103 -6.859 4.911 234 2HG1 VAL 29 2HG1 VAL 29 15.422 -6.871 6.535 235 3HG1 VAL 29 3HG1 VAL 29 15.520 -8.366 5.601 236 1HG2 VAL 29 1HG2 VAL 29 19.060 -6.548 7.124 237 2HG2 VAL 29 2HG2 VAL 29 17.501 -5.738 7.268 238 3HG2 VAL 29 3HG2 VAL 29 18.282 -5.873 5.692 239 H ASP 30 H ASP 30 15.610 -8.641 9.631 240 HA ASP 30 HA ASP 30 15.170 -7.265 11.528 241 1HB ASP 30 2HB ASP 30 18.080 -7.784 11.174 242 2HB ASP 30 1HB ASP 30 17.627 -6.643 12.421 243 H SER 31 H SER 31 14.241 -5.345 10.430 244 HA SER 31 HA SER 31 16.068 -3.055 10.593 245 1HB SER 31 2HB SER 31 16.205 -4.740 8.473 246 2HB SER 31 1HB SER 31 15.029 -3.620 7.861 247 HG SER 31 HG SER 31 17.675 -3.201 8.743 248 H GLN 32 H GLN 32 13.939 -2.993 12.043 249 HA GLN 32 HA GLN 32 11.362 -2.564 11.093 250 1HB GLN 32 2HB GLN 32 12.583 -2.430 13.465 251 2HB GLN 32 1HB GLN 32 12.470 -0.700 13.148 252 1HG GLN 32 2HG GLN 32 10.244 -0.678 13.516 253 2HG GLN 32 1HG GLN 32 9.993 -2.104 12.510 254 1HE2 GLN 32 1HE2 GLN 32 8.794 -3.465 13.863 255 2HE2 GLN 32 2HE2 GLN 32 9.294 -3.938 15.410 256 H GLU 33 H GLU 33 14.162 -0.558 10.546 257 HA GLU 33 HA GLU 33 12.801 1.915 10.012 258 1HB GLU 33 2HB GLU 33 15.279 0.836 8.650 259 2HB GLU 33 1HB GLU 33 14.883 2.519 9.003 260 1HG GLU 33 2HG GLU 33 14.760 1.455 11.501 261 2HG GLU 33 1HG GLU 33 16.007 0.437 10.781 262 H VAL 34 H VAL 34 13.241 -1.069 8.230 263 HA VAL 34 HA VAL 34 12.316 0.052 5.680 264 HB VAL 34 HB VAL 34 13.517 -2.409 6.747 265 1HG1 VAL 34 1HG1 VAL 34 11.253 -2.681 4.742 266 2HG1 VAL 34 2HG1 VAL 34 11.361 -3.447 6.322 267 3HG1 VAL 34 3HG1 VAL 34 12.472 -3.920 5.037 268 1HG2 VAL 34 1HG2 VAL 34 13.282 -1.047 4.058 269 2HG2 VAL 34 2HG2 VAL 34 14.123 -2.578 4.251 270 3HG2 VAL 34 3HG2 VAL 34 14.693 -1.147 5.110 271 H ARG 35 H ARG 35 10.975 -1.883 8.355 272 HA ARG 35 HA ARG 35 8.328 -2.126 7.117 273 1HB ARG 35 2HB ARG 35 9.839 -3.053 9.379 274 2HB ARG 35 1HB ARG 35 8.276 -2.448 9.921 275 1HG ARG 35 2HG ARG 35 7.523 -3.863 7.725 276 2HG ARG 35 1HG ARG 35 8.905 -4.818 8.265 277 1HD ARG 35 2HD ARG 35 7.959 -5.071 10.477 278 2HD ARG 35 1HD ARG 35 6.648 -3.947 10.077 279 HE ARG 35 HE ARG 35 6.467 -5.854 8.088 280 1HH1 ARG 35 1HH2 ARG 35 6.710 -5.981 11.529 281 2HH1 ARG 35 2HH2 ARG 35 5.720 -7.393 11.679 282 1HH2 ARG 35 1HH1 ARG 35 5.127 -7.665 8.273 283 2HH2 ARG 35 2HH1 ARG 35 4.823 -8.346 9.837 284 H ASP 36 H ASP 36 9.880 -0.191 9.675 285 HA ASP 36 HA ASP 36 7.639 1.387 10.448 286 1HB ASP 36 2HB ASP 36 10.024 1.193 11.451 287 2HB ASP 36 1HB ASP 36 10.514 2.328 10.200 288 H TYR 37 H TYR 37 9.769 1.326 7.758 289 HA TYR 37 HA TYR 37 9.049 3.873 6.571 290 1HB TYR 37 2HB TYR 37 11.173 3.137 6.038 291 2HB TYR 37 1HB TYR 37 10.703 1.443 5.999 292 HD1 TYR 37 1HD TYR 37 11.055 4.504 4.061 293 HD2 TYR 37 2HD TYR 37 9.330 0.581 4.140 294 HE1 TYR 37 1HE TYR 37 10.565 4.664 1.634 295 HE2 TYR 37 2HE TYR 37 8.829 0.729 1.743 296 HH TYR 37 HH TYR 37 10.081 3.340 -0.231 297 H CYS 38 H CYS 38 8.536 0.432 5.916 298 HA CYS 38 HA CYS 38 6.763 0.545 3.765 299 1HB CYS 38 2HB CYS 38 7.940 -1.372 4.966 300 2HB CYS 38 1HB CYS 38 6.640 -1.314 6.133 301 HG CYS 38 HG CYS 38 6.191 -1.994 3.123 302 H GLU 39 H GLU 39 5.946 0.514 7.253 303 HA GLU 39 HA GLU 39 3.117 1.026 6.771 304 1HB GLU 39 2HB GLU 39 3.221 1.436 9.280 305 2HB GLU 39 1HB GLU 39 3.906 -0.116 8.789 306 1HG GLU 39 2HG GLU 39 5.880 0.465 9.691 307 2HG GLU 39 1HG GLU 39 5.963 1.845 8.588 308 H LYS 40 H LYS 40 5.964 2.897 6.586 309 HA LYS 40 HA LYS 40 4.664 5.424 7.366 310 1HB LYS 40 2HB LYS 40 7.075 5.126 7.801 311 2HB LYS 40 1HB LYS 40 7.348 4.738 6.101 312 1HG LYS 40 2HG LYS 40 6.815 6.938 5.396 313 2HG LYS 40 1HG LYS 40 6.150 7.364 6.973 314 1HD LYS 40 2HD LYS 40 8.187 7.944 7.747 315 2HD LYS 40 1HD LYS 40 8.869 6.401 7.228 316 1HE LYS 40 2HE LYS 40 9.323 7.233 5.023 317 2HE LYS 40 1HE LYS 40 8.359 8.695 5.308 318 1HZ LYS 40 1HZ LYS 40 10.527 9.380 5.749 319 2HZ LYS 40 2HZ LYS 40 10.942 7.925 6.522 320 3HZ LYS 40 3HZ LYS 40 9.913 9.037 7.292 321 H LYS 41 H LYS 41 5.595 3.448 4.717 322 HA LYS 41 HA LYS 41 5.117 5.197 2.514 323 1HB LYS 41 2HB LYS 41 4.890 2.210 2.832 324 2HB LYS 41 1HB LYS 41 5.130 3.059 1.329 325 1HG LYS 41 2HG LYS 41 7.028 2.317 3.410 326 2HG LYS 41 1HG LYS 41 7.284 2.545 1.689 327 1HD LYS 41 2HD LYS 41 6.802 4.927 3.451 328 2HD LYS 41 1HD LYS 41 8.360 4.207 3.325 329 1HE LYS 41 2HE LYS 41 8.503 4.617 0.986 330 2HE LYS 41 1HE LYS 41 6.769 4.941 0.891 331 1HZ LYS 41 1HZ LYS 41 6.984 6.940 2.009 332 2HZ LYS 41 2HZ LYS 41 8.385 6.934 1.048 333 3HZ LYS 41 3HZ LYS 41 8.480 6.528 2.695 334 H GLY 42 H GLY 42 3.446 2.434 3.821 335 1HA GLY 42 2HA GLY 42 1.033 2.951 4.440 336 2HA GLY 42 1HA GLY 42 0.866 3.408 2.765 337 H TRP 43 H TRP 43 2.242 0.689 4.580 338 HA TRP 43 HA TRP 43 0.552 -1.159 2.956 339 1HB TRP 43 2HB TRP 43 3.030 -2.144 4.253 340 2HB TRP 43 1HB TRP 43 2.212 -2.768 2.881 341 HD1 TRP 43 HD TRP 43 3.274 0.852 3.048 342 HE1 TRP 43 1HE TRP 43 5.065 1.231 1.413 343 HE3 TRP 43 3HE TRP 43 4.179 -3.906 1.429 344 HZ2 TRP 43 2HZ TRP 43 6.807 -0.054 -0.288 345 HZ3 TRP 43 3HZ TRP 43 5.972 -4.285 -0.211 346 HH2 TRP 43 HH TRP 43 7.295 -2.377 -1.107 347 H ILE 44 H ILE 44 2.537 -0.571 5.591 348 HA ILE 44 HA ILE 44 2.151 -0.582 7.831 349 HB ILE 44 HB ILE 44 -0.365 -2.119 7.329 350 1HG1 ILE 44 2HG1 ILE 44 -0.502 0.831 7.534 351 2HG1 ILE 44 1HG1 ILE 44 0.130 0.217 6.030 352 1HG2 ILE 44 1HG2 ILE 44 0.891 -0.508 9.514 353 2HG2 ILE 44 2HG2 ILE 44 -0.146 -1.937 9.631 354 3HG2 ILE 44 3HG2 ILE 44 -0.861 -0.350 9.336 355 1HD1 ILE 44 1HD1 ILE 44 -2.534 0.463 6.559 356 2HD1 ILE 44 2HD1 ILE 44 -2.246 -1.211 7.030 357 3HD1 ILE 44 3HD1 ILE 44 -1.861 -0.679 5.391 358 H VAL 45 H VAL 45 2.965 -2.842 5.966 359 HA VAL 45 HA VAL 45 2.640 -5.407 6.595 360 HB VAL 45 HB VAL 45 5.164 -5.580 6.503 361 1HG1 VAL 45 1HG1 VAL 45 5.278 -4.609 4.200 362 2HG1 VAL 45 2HG1 VAL 45 3.704 -3.870 4.492 363 3HG1 VAL 45 3HG1 VAL 45 3.860 -5.626 4.466 364 1HG2 VAL 45 1HG2 VAL 45 4.911 -2.572 6.373 365 2HG2 VAL 45 2HG2 VAL 45 6.390 -3.484 6.076 366 3HG2 VAL 45 3HG2 VAL 45 5.665 -3.481 7.682 367 H ASN 46 H ASN 46 1.896 -6.047 8.618 368 HA ASN 46 HA ASN 46 3.824 -6.360 10.764 369 1HB ASN 46 2HB ASN 46 3.427 -4.039 11.151 370 2HB ASN 46 1HB ASN 46 1.697 -4.210 10.859 371 1HD2 ASN 46 1HD2 ASN 46 1.527 -3.164 13.091 372 2HD2 ASN 46 2HD2 ASN 46 1.640 -4.168 14.454 373 H ILE 47 H ILE 47 3.203 -8.337 11.537 374 HA ILE 47 HA ILE 47 0.957 -9.822 11.013 375 HB ILE 47 HB ILE 47 2.891 -10.618 12.269 376 1HG1 ILE 47 2HG1 ILE 47 0.489 -10.797 14.105 377 2HG1 ILE 47 1HG1 ILE 47 0.587 -11.680 12.581 378 1HG2 ILE 47 1HG2 ILE 47 2.796 -8.302 13.624 379 2HG2 ILE 47 2HG2 ILE 47 3.595 -9.734 14.273 380 3HG2 ILE 47 3HG2 ILE 47 1.959 -9.327 14.789 381 1HD1 ILE 47 1HD1 ILE 47 1.398 -13.202 14.218 382 2HD1 ILE 47 2HD1 ILE 47 2.360 -11.955 15.012 383 3HD1 ILE 47 3HD1 ILE 47 2.844 -12.569 13.431 384 H THR 48 H THR 48 -1.025 -8.685 10.948 385 HA THR 48 HA THR 48 -2.955 -7.610 11.803 386 HB THR 48 HB THR 48 -2.142 -9.044 14.337 387 HG1 THR 48 1HG THR 48 -2.767 -10.027 11.811 388 1HG2 THR 48 1HG2 THR 48 -4.318 -8.842 14.908 389 2HG2 THR 48 2HG2 THR 48 -4.865 -9.309 13.298 390 3HG2 THR 48 3HG2 THR 48 -4.415 -7.636 13.625 391 H SER 49 H SER 49 -2.140 -5.414 11.839 392 HA SER 49 HA SER 49 -0.692 -4.420 14.191 393 1HB SER 49 2HB SER 49 -0.271 -2.674 12.784 394 2HB SER 49 1HB SER 49 -0.939 -3.726 11.541 395 HG SER 49 HG SER 49 -1.858 -1.412 12.286 396 H GLN 50 H GLN 50 -1.670 -3.600 16.005 397 HA GLN 50 HA GLN 50 -4.379 -3.823 16.644 398 1HB GLN 50 2HB GLN 50 -2.588 -3.365 18.245 399 2HB GLN 50 1HB GLN 50 -2.315 -1.779 17.523 400 1HG GLN 50 2HG GLN 50 -4.939 -1.538 18.045 401 2HG GLN 50 1HG GLN 50 -4.520 -2.694 19.309 402 1HE2 GLN 50 1HE2 GLN 50 -2.161 -1.965 20.334 403 2HE2 GLN 50 2HE2 GLN 50 -2.127 -0.337 20.816 404 H VAL 51 H VAL 51 -5.733 -3.096 14.902 405 HA VAL 51 HA VAL 51 -5.553 -0.552 13.615 406 HB VAL 51 HB VAL 51 -8.060 -2.155 14.189 407 1HG1 VAL 51 1HG1 VAL 51 -7.330 -0.845 11.588 408 2HG1 VAL 51 2HG1 VAL 51 -7.949 0.148 12.908 409 3HG1 VAL 51 3HG1 VAL 51 -8.926 -1.171 12.263 410 1HG2 VAL 51 1HG2 VAL 51 -6.906 -3.910 13.311 411 2HG2 VAL 51 2HG2 VAL 51 -5.618 -2.873 12.696 412 3HG2 VAL 51 3HG2 VAL 51 -7.111 -3.066 11.776 413 H GLN 52 H GLN 52 -6.819 1.375 14.003 414 HA GLN 52 HA GLN 52 -7.084 2.119 16.780 415 1HB GLN 52 2HB GLN 52 -7.905 4.219 15.789 416 2HB GLN 52 1HB GLN 52 -6.501 3.629 14.896 417 1HG GLN 52 2HG GLN 52 -8.620 2.361 13.646 418 2HG GLN 52 1HG GLN 52 -9.264 3.963 13.998 419 1HE2 GLN 52 1HE2 GLN 52 -7.350 2.227 11.779 420 2HE2 GLN 52 2HE2 GLN 52 -6.615 3.548 11.008 421 H THR 53 H THR 53 -8.615 0.013 16.980 422 HA THR 53 HA THR 53 -11.448 0.944 16.636 423 HB THR 53 HB THR 53 -10.401 -1.896 16.794 424 HG1 THR 53 1HG THR 53 -10.501 -1.869 14.548 425 1HG2 THR 53 1HG2 THR 53 -12.968 -0.861 16.981 426 2HG2 THR 53 2HG2 THR 53 -12.557 -2.522 16.552 427 3HG2 THR 53 3HG2 THR 53 -12.840 -1.328 15.285 428 H GLU 54 H GLU 54 -9.029 -0.376 18.803 429 HA GLU 54 HA GLU 54 -9.060 -0.642 21.152 430 1HB GLU 54 2HB GLU 54 -10.269 1.661 20.620 431 2HB GLU 54 1HB GLU 54 -11.693 0.793 21.194 432 1HG GLU 54 2HG GLU 54 -9.629 0.192 23.025 433 2HG GLU 54 1HG GLU 54 -9.532 1.929 22.733 434 H ARG 55 H ARG 55 -10.505 -1.623 22.940 435 HA ARG 55 HA ARG 55 -11.493 -4.130 22.321 436 1HB ARG 55 2HB ARG 55 -11.360 -2.455 24.522 437 2HB ARG 55 1HB ARG 55 -13.095 -2.721 24.343 438 1HG ARG 55 2HG ARG 55 -12.727 -5.157 24.312 439 2HG ARG 55 1HG ARG 55 -10.990 -4.900 24.473 440 1HD ARG 55 2HD ARG 55 -12.863 -3.682 26.495 441 2HD ARG 55 1HD ARG 55 -12.378 -5.385 26.642 442 HE ARG 55 HE ARG 55 -10.014 -3.966 26.112 443 1HH1 ARG 55 1HH1 ARG 55 -12.081 -2.324 27.986 444 2HH1 ARG 55 2HH1 ARG 55 -11.249 -2.530 29.492 445 1HH2 ARG 55 1HH2 ARG 55 -9.105 -4.968 28.276 446 2HH2 ARG 55 2HH2 ARG 55 -9.565 -4.027 29.655 447 H ASN 56 H ASN 56 -13.803 -1.502 23.063 448 HA ASN 56 HA ASN 56 -15.453 -2.364 20.722 449 1HB ASN 56 2HB ASN 56 -17.420 -2.163 22.382 450 2HB ASN 56 1HB ASN 56 -16.375 -3.572 22.558 451 1HD2 ASN 56 1HD2 ASN 56 -16.415 -0.148 23.733 452 2HD2 ASN 56 2HD2 ASN 56 -15.956 -0.540 25.320 453 H ILE 57 H ILE 57 -17.033 -0.693 20.090 454 HA ILE 57 HA ILE 57 -16.156 2.048 20.924 455 HB ILE 57 HB ILE 57 -17.629 1.170 18.426 456 1HG1 ILE 57 2HG1 ILE 57 -15.017 1.718 17.694 457 2HG1 ILE 57 1HG1 ILE 57 -14.818 0.845 19.215 458 1HG2 ILE 57 1HG2 ILE 57 -16.946 3.291 17.543 459 2HG2 ILE 57 2HG2 ILE 57 -15.862 3.580 18.903 460 3HG2 ILE 57 3HG2 ILE 57 -17.609 3.613 19.146 461 1HD1 ILE 57 1HD1 ILE 57 -16.831 -0.538 17.811 462 2HD1 ILE 57 2HD1 ILE 57 -15.173 -1.071 18.086 463 3HD1 ILE 57 3HD1 ILE 57 -15.582 -0.182 16.619 464 H ASN 58 H ASN 58 -17.600 2.578 22.584 465 HA ASN 58 HA ASN 58 -19.662 3.231 23.538 466 1HB ASN 58 2HB ASN 58 -19.632 3.973 20.907 467 2HB ASN 58 1HB ASN 58 -21.076 2.962 20.951 468 1HD2 ASN 58 1HD2 ASN 58 -20.158 6.126 21.290 469 2HD2 ASN 58 2HD2 ASN 58 -21.368 6.666 22.351 470 H ARG 59 H ARG 59 -22.262 2.312 22.327 471 HA ARG 59 HA ARG 59 -22.689 -0.053 23.839 472 1HB ARG 59 2HB ARG 59 -24.059 1.608 21.834 473 2HB ARG 59 1HB ARG 59 -24.583 -0.076 21.827 474 1HG ARG 59 2HG ARG 59 -25.801 0.295 23.679 475 2HG ARG 59 1HG ARG 59 -24.335 0.747 24.549 476 1HD ARG 59 2HD ARG 59 -24.767 2.987 24.361 477 2HD ARG 59 1HD ARG 59 -25.402 2.821 22.711 478 HE ARG 59 HE ARG 59 -27.093 1.580 24.757 479 1HH1 ARG 59 1HH1 ARG 59 -26.809 4.526 25.422 480 2HH1 ARG 59 2HH1 ARG 59 -28.141 5.204 24.546 481 1HH2 ARG 59 1HH2 ARG 59 -28.607 2.402 22.559 482 2HH2 ARG 59 2HH2 ARG 59 -29.158 4.002 22.925 483 H ALA 60 H ALA 60 -23.110 -0.081 20.309 484 HA ALA 60 HA ALA 60 -22.633 -1.808 18.757 485 1HB ALA 60 1HB ALA 60 -20.166 -2.568 19.136 486 2HB ALA 60 2HB ALA 60 -20.181 -1.410 20.467 487 3HB ALA 60 3HB ALA 60 -20.472 -0.859 18.817 488 1H MET 1 1HT MET 1 -5.009 -21.751 -11.285 489 2H MET 1 2HT MET 1 -6.039 -20.886 -12.323 490 3H MET 1 3HT MET 1 -5.265 -22.296 -12.870 491 HA MET 1 HA MET 1 -7.464 -22.970 -12.419 492 1HB MET 1 2HB MET 1 -5.195 -23.937 -11.172 493 2HB MET 1 1HB MET 1 -6.316 -23.750 -9.823 494 1HG MET 1 2HG MET 1 -8.011 -25.063 -11.040 495 2HG MET 1 1HG MET 1 -6.900 -25.245 -12.397 496 1HE MET 1 1HE MET 1 -4.817 -26.004 -12.375 497 2HE MET 1 2HE MET 1 -5.208 -27.722 -12.360 498 3HE MET 1 3HE MET 1 -4.000 -27.092 -11.243 499 H GLY 2 H GLY 2 -8.878 -23.404 -10.203 500 1HA GLY 2 2HA GLY 2 -9.676 -20.710 -9.347 501 2HA GLY 2 1HA GLY 2 -10.514 -22.210 -8.956 502 HA PRO 3 HA PRO 3 -8.743 -21.702 -4.922 503 1HB PRO 3 2HB PRO 3 -9.482 -24.145 -3.942 504 2HB PRO 3 1HB PRO 3 -10.658 -22.840 -4.198 505 1HG PRO 3 2HG PRO 3 -9.981 -25.150 -5.979 506 2HG PRO 3 1HG PRO 3 -11.584 -24.555 -5.481 507 1HD PRO 3 2HD PRO 3 -10.547 -23.939 -7.872 508 2HD PRO 3 1HD PRO 3 -11.506 -22.754 -6.952 509 H LEU 4 H LEU 4 -7.740 -24.124 -3.596 510 HA LEU 4 HA LEU 4 -5.789 -25.473 -3.560 511 1HB LEU 4 2HB LEU 4 -7.280 -26.099 -5.673 512 2HB LEU 4 1HB LEU 4 -5.927 -25.434 -6.558 513 HG LEU 4 HG LEU 4 -4.555 -26.993 -4.847 514 1HD1 LEU 4 1HD1 LEU 4 -7.189 -28.437 -5.268 515 2HD1 LEU 4 2HD1 LEU 4 -6.646 -27.756 -3.734 516 3HD1 LEU 4 3HD1 LEU 4 -5.759 -29.091 -4.471 517 1HD2 LEU 4 1HD2 LEU 4 -5.408 -27.129 -7.570 518 2HD2 LEU 4 2HD2 LEU 4 -5.511 -28.756 -6.895 519 3HD2 LEU 4 3HD2 LEU 4 -3.985 -27.873 -6.841 520 H GLN 5 H GLN 5 -3.709 -25.508 -5.588 521 HA GLN 5 HA GLN 5 -2.000 -23.420 -4.849 522 1HB GLN 5 2HB GLN 5 -2.316 -25.304 -7.113 523 2HB GLN 5 1HB GLN 5 -1.342 -23.879 -7.479 524 1HG GLN 5 2HG GLN 5 -0.084 -24.364 -5.299 525 2HG GLN 5 1HG GLN 5 -0.883 -25.936 -5.314 526 1HE2 GLN 5 1HE2 GLN 5 2.020 -25.458 -5.653 527 2HE2 GLN 5 2HE2 GLN 5 2.427 -26.058 -7.187 528 H TYR 6 H TYR 6 -4.718 -23.434 -7.020 529 HA TYR 6 HA TYR 6 -5.918 -21.662 -7.969 530 1HB TYR 6 2HB TYR 6 -4.908 -20.726 -5.682 531 2HB TYR 6 1HB TYR 6 -3.971 -19.712 -6.771 532 HD1 TYR 6 1HD TYR 6 -5.670 -18.972 -8.928 533 HD2 TYR 6 2HD TYR 6 -6.751 -19.615 -4.820 534 HE1 TYR 6 1HE TYR 6 -7.639 -17.498 -9.216 535 HE2 TYR 6 2HE TYR 6 -8.721 -18.137 -5.110 536 HH TYR 6 HH TYR 6 -9.781 -16.735 -6.475 537 H LYS 7 H LYS 7 -3.886 -19.143 -8.435 538 HA LYS 7 HA LYS 7 -3.574 -19.253 -11.165 539 1HB LYS 7 2HB LYS 7 -2.616 -17.758 -9.003 540 2HB LYS 7 1HB LYS 7 -1.160 -18.273 -9.855 541 1HG LYS 7 2HG LYS 7 -2.106 -17.415 -11.975 542 2HG LYS 7 1HG LYS 7 -3.542 -16.872 -11.107 543 1HD LYS 7 2HD LYS 7 -1.786 -15.082 -11.501 544 2HD LYS 7 1HD LYS 7 -2.269 -15.296 -9.818 545 1HE LYS 7 2HE LYS 7 -0.223 -16.149 -9.202 546 2HE LYS 7 1HE LYS 7 0.013 -16.972 -10.755 547 1HZ LYS 7 1HZ LYS 7 0.894 -14.394 -9.970 548 2HZ LYS 7 2HZ LYS 7 -0.132 -14.261 -11.317 549 3HZ LYS 7 3HZ LYS 7 1.246 -15.250 -11.389 550 H ASP 8 H ASP 8 -2.873 -21.049 -12.292 551 HA ASP 8 HA ASP 8 -1.147 -23.090 -11.437 552 1HB ASP 8 2HB ASP 8 -1.385 -21.913 -14.225 553 2HB ASP 8 1HB ASP 8 -0.948 -23.573 -13.820 554 H LEU 9 H LEU 9 1.140 -23.471 -11.938 555 HA LEU 9 HA LEU 9 2.751 -21.046 -12.577 556 1HB LEU 9 2HB LEU 9 4.214 -22.036 -10.542 557 2HB LEU 9 1HB LEU 9 2.946 -20.842 -10.289 558 HG LEU 9 HG LEU 9 1.338 -22.722 -9.865 559 1HD1 LEU 9 1HD1 LEU 9 2.190 -24.632 -10.875 560 2HD1 LEU 9 2HD1 LEU 9 2.681 -24.903 -9.202 561 3HD1 LEU 9 3HD1 LEU 9 3.844 -24.284 -10.375 562 1HD2 LEU 9 1HD2 LEU 9 1.884 -22.145 -7.753 563 2HD2 LEU 9 2HD2 LEU 9 3.561 -21.843 -8.208 564 3HD2 LEU 9 3HD2 LEU 9 3.045 -23.472 -7.770 565 H LYS 10 H LYS 10 4.259 -21.604 -14.074 566 HA LYS 10 HA LYS 10 5.781 -24.094 -13.889 567 1HB LYS 10 2HB LYS 10 4.896 -25.027 -15.999 568 2HB LYS 10 1HB LYS 10 3.601 -24.833 -14.817 569 1HG LYS 10 2HG LYS 10 2.976 -22.679 -15.859 570 2HG LYS 10 1HG LYS 10 4.256 -22.893 -17.055 571 1HD LYS 10 2HD LYS 10 1.999 -24.871 -16.637 572 2HD LYS 10 1HD LYS 10 1.974 -23.601 -17.860 573 1HE LYS 10 2HE LYS 10 2.918 -25.254 -19.163 574 2HE LYS 10 1HE LYS 10 4.410 -24.712 -18.372 575 1HZ LYS 10 1HZ LYS 10 4.551 -26.677 -17.376 576 2HZ LYS 10 2HZ LYS 10 3.105 -27.191 -18.103 577 3HZ LYS 10 3HZ LYS 10 3.070 -26.404 -16.598 578 H ILE 11 H ILE 11 7.672 -23.948 -15.158 579 HA ILE 11 HA ILE 11 9.397 -22.722 -16.244 580 HB ILE 11 HB ILE 11 8.858 -22.492 -18.532 581 1HG1 ILE 11 2HG1 ILE 11 5.912 -22.138 -17.981 582 2HG1 ILE 11 1HG1 ILE 11 6.983 -20.741 -17.966 583 1HG2 ILE 11 1HG2 ILE 11 6.557 -24.179 -17.579 584 2HG2 ILE 11 2HG2 ILE 11 8.228 -24.728 -17.474 585 3HG2 ILE 11 3HG2 ILE 11 7.512 -24.377 -19.047 586 1HD1 ILE 11 1HD1 ILE 11 5.884 -21.250 -20.202 587 2HD1 ILE 11 2HD1 ILE 11 6.889 -22.697 -20.268 588 3HD1 ILE 11 3HD1 ILE 11 7.641 -21.101 -20.237 589 H ASP 12 H ASP 12 7.563 -21.185 -14.321 590 HA ASP 12 HA ASP 12 7.262 -18.573 -15.502 591 1HB ASP 12 2HB ASP 12 6.693 -17.971 -13.137 592 2HB ASP 12 1HB ASP 12 5.834 -19.398 -13.700 593 H ILE 13 H ILE 13 8.460 -17.682 -12.646 594 HA ILE 13 HA ILE 13 11.318 -17.577 -13.534 595 HB ILE 13 HB ILE 13 9.743 -15.260 -12.381 596 1HG1 ILE 13 2HG1 ILE 13 8.828 -16.111 -14.599 597 2HG1 ILE 13 1HG1 ILE 13 9.396 -14.441 -14.614 598 1HG2 ILE 13 1HG2 ILE 13 11.996 -14.738 -12.134 599 2HG2 ILE 13 2HG2 ILE 13 11.687 -14.105 -13.751 600 3HG2 ILE 13 3HG2 ILE 13 12.472 -15.671 -13.552 601 1HD1 ILE 13 1HD1 ILE 13 11.583 -16.241 -15.200 602 2HD1 ILE 13 2HD1 ILE 13 10.941 -14.920 -16.177 603 3HD1 ILE 13 3HD1 ILE 13 10.239 -16.533 -16.305 604 H LYS 14 H LYS 14 12.752 -16.858 -11.680 605 HA LYS 14 HA LYS 14 11.610 -17.612 -9.015 606 1HB LYS 14 2HB LYS 14 14.097 -18.534 -8.758 607 2HB LYS 14 1HB LYS 14 12.846 -19.517 -9.517 608 1HG LYS 14 2HG LYS 14 14.521 -17.653 -11.184 609 2HG LYS 14 1HG LYS 14 15.138 -19.244 -10.737 610 1HD LYS 14 2HD LYS 14 12.433 -19.558 -11.610 611 2HD LYS 14 1HD LYS 14 13.289 -18.596 -12.816 612 1HE LYS 14 2HE LYS 14 14.694 -20.328 -13.394 613 2HE LYS 14 1HE LYS 14 14.733 -20.979 -11.744 614 1HZ LYS 14 1HZ LYS 14 12.580 -21.225 -13.761 615 2HZ LYS 14 2HZ LYS 14 12.282 -21.469 -12.106 616 3HZ LYS 14 3HZ LYS 14 13.387 -22.464 -12.929 617 H THR 15 H THR 15 14.059 -15.817 -10.837 618 HA THR 15 HA THR 15 14.746 -14.239 -8.397 619 HB THR 15 HB THR 15 16.569 -13.434 -10.022 620 HG1 THR 15 1HG THR 15 15.938 -14.046 -11.972 621 1HG2 THR 15 1HG2 THR 15 16.996 -15.049 -8.235 622 2HG2 THR 15 2HG2 THR 15 17.871 -15.519 -9.694 623 3HG2 THR 15 3HG2 THR 15 16.382 -16.357 -9.250 624 H SER 16 H SER 16 13.317 -12.505 -8.198 625 HA SER 16 HA SER 16 11.904 -11.328 -10.381 626 1HB SER 16 2HB SER 16 12.562 -10.278 -7.614 627 2HB SER 16 1HB SER 16 11.296 -9.659 -8.659 628 HG SER 16 HG SER 16 10.392 -11.162 -7.301 629 HA PRO 17 HA PRO 17 12.666 -8.647 -8.058 630 1HB PRO 17 2HB PRO 17 14.033 -6.346 -7.812 631 2HB PRO 17 1HB PRO 17 14.728 -7.884 -7.316 632 1HG PRO 17 2HG PRO 17 15.551 -6.162 -9.435 633 2HG PRO 17 1HG PRO 17 16.265 -7.699 -8.937 634 1HD PRO 17 2HD PRO 17 14.286 -7.164 -11.066 635 2HD PRO 17 1HD PRO 17 15.521 -8.408 -10.944 636 HA PRO 18 HA PRO 18 11.447 -5.397 -11.376 637 1HB PRO 18 2HB PRO 18 9.295 -6.588 -12.607 638 2HB PRO 18 1HB PRO 18 10.983 -6.676 -13.178 639 1HG PRO 18 2HG PRO 18 9.447 -8.678 -11.594 640 2HG PRO 18 1HG PRO 18 10.520 -8.912 -12.978 641 1HD PRO 18 2HD PRO 18 11.362 -9.343 -10.464 642 2HD PRO 18 1HD PRO 18 12.439 -8.697 -11.718 643 HA PRO 19 HA PRO 19 7.427 -5.333 -8.809 644 1HB PRO 19 2HB PRO 19 7.337 -7.025 -6.654 645 2HB PRO 19 1HB PRO 19 6.629 -7.454 -8.226 646 1HG PRO 19 2HG PRO 19 9.225 -8.282 -7.030 647 2HG PRO 19 1HG PRO 19 8.072 -9.222 -7.990 648 1HD PRO 19 2HD PRO 19 10.360 -8.189 -9.011 649 2HD PRO 19 1HD PRO 19 8.902 -8.462 -9.974 650 H GLU 20 H GLU 20 9.201 -3.663 -8.571 651 HA GLU 20 HA GLU 20 11.232 -3.606 -6.639 652 1HB GLU 20 2HB GLU 20 10.772 -1.054 -6.824 653 2HB GLU 20 1HB GLU 20 11.210 -1.938 -8.283 654 1HG GLU 20 2HG GLU 20 9.234 -1.439 -9.246 655 2HG GLU 20 1HG GLU 20 8.345 -2.042 -7.846 656 H CYS 21 H CYS 21 9.352 -4.774 -4.981 657 HA CYS 21 HA CYS 21 8.124 -2.645 -3.363 658 1HB CYS 21 2HB CYS 21 7.985 -4.950 -1.815 659 2HB CYS 21 1HB CYS 21 6.731 -4.346 -2.880 660 HG CYS 21 HG CYS 21 7.081 -6.686 -3.788 661 H ILE 22 H ILE 22 11.026 -4.616 -3.317 662 HA ILE 22 HA ILE 22 11.836 -3.799 -0.609 663 HB ILE 22 HB ILE 22 13.408 -4.961 -2.931 664 1HG1 ILE 22 2HG1 ILE 22 12.337 -6.870 -2.588 665 2HG1 ILE 22 1HG1 ILE 22 13.023 -6.945 -0.978 666 1HG2 ILE 22 1HG2 ILE 22 14.103 -4.167 -0.218 667 2HG2 ILE 22 2HG2 ILE 22 15.148 -4.563 -1.581 668 3HG2 ILE 22 3HG2 ILE 22 14.509 -5.848 -0.558 669 1HD1 ILE 22 1HD1 ILE 22 10.723 -7.118 -0.543 670 2HD1 ILE 22 2HD1 ILE 22 10.294 -5.984 -1.823 671 3HD1 ILE 22 3HD1 ILE 22 11.009 -5.395 -0.325 672 H ASN 23 H ASN 23 13.132 -3.155 -3.880 673 HA ASN 23 HA ASN 23 14.892 -1.068 -2.990 674 1HB ASN 23 2HB ASN 23 15.091 -0.553 -5.339 675 2HB ASN 23 1HB ASN 23 14.974 -2.303 -5.173 676 1HD2 ASN 23 1HD2 ASN 23 14.072 -0.208 -7.349 677 2HD2 ASN 23 2HD2 ASN 23 12.485 -0.698 -7.695 678 H ASP 24 H ASP 24 11.611 -0.796 -4.496 679 HA ASP 24 HA ASP 24 11.370 2.019 -4.253 680 1HB ASP 24 2HB ASP 24 9.822 0.305 -5.367 681 2HB ASP 24 1HB ASP 24 9.198 -0.034 -3.752 682 H LEU 25 H LEU 25 11.409 -0.545 -1.952 683 HA LEU 25 HA LEU 25 10.221 0.988 0.210 684 1HB LEU 25 2HB LEU 25 9.806 -1.258 0.431 685 2HB LEU 25 1HB LEU 25 11.313 -1.727 -0.293 686 HG LEU 25 HG LEU 25 12.146 -0.457 2.032 687 1HD1 LEU 25 1HD1 LEU 25 9.458 -0.900 2.435 688 2HD1 LEU 25 2HD1 LEU 25 10.681 -0.615 3.676 689 3HD1 LEU 25 3HD1 LEU 25 10.241 -2.265 3.230 690 1HD2 LEU 25 1HD2 LEU 25 13.196 -2.433 1.366 691 2HD2 LEU 25 2HD2 LEU 25 11.676 -3.334 1.315 692 3HD2 LEU 25 3HD2 LEU 25 12.381 -2.874 2.866 693 H LEU 26 H LEU 26 13.195 -0.729 -0.204 694 HA LEU 26 HA LEU 26 14.547 0.571 1.878 695 1HB LEU 26 2HB LEU 26 15.073 -1.644 1.329 696 2HB LEU 26 1HB LEU 26 15.187 -1.272 -0.381 697 HG LEU 26 HG LEU 26 17.146 0.100 0.034 698 1HD1 LEU 26 1HD1 LEU 26 17.345 0.884 2.140 699 2HD1 LEU 26 2HD1 LEU 26 17.935 -0.717 2.554 700 3HD1 LEU 26 3HD1 LEU 26 16.235 -0.339 2.761 701 1HD2 LEU 26 1HD2 LEU 26 18.537 -1.716 -0.060 702 2HD2 LEU 26 2HD2 LEU 26 17.024 -2.622 -0.088 703 3HD2 LEU 26 3HD2 LEU 26 17.889 -2.403 1.427 704 H GLN 27 H GLN 27 13.904 1.683 -1.268 705 HA GLN 27 HA GLN 27 16.380 3.020 -1.841 706 1HB GLN 27 2HB GLN 27 13.477 3.251 -2.642 707 2HB GLN 27 1HB GLN 27 14.680 4.372 -3.255 708 1HG GLN 27 2HG GLN 27 15.466 1.542 -3.394 709 2HG GLN 27 1HG GLN 27 14.096 1.970 -4.412 710 1HE2 GLN 27 1HE2 GLN 27 16.882 1.273 -5.222 711 2HE2 GLN 27 2HE2 GLN 27 17.437 2.594 -6.120 712 H ALA 28 H ALA 28 14.021 3.358 0.585 713 HA ALA 28 HA ALA 28 14.674 6.231 0.973 714 1HB ALA 28 1HB ALA 28 12.253 4.934 0.593 715 2HB ALA 28 2HB ALA 28 12.458 6.563 1.237 716 3HB ALA 28 3HB ALA 28 12.314 5.191 2.340 717 H VAL 29 H VAL 29 14.779 3.005 2.564 718 HA VAL 29 HA VAL 29 15.299 4.495 5.111 719 HB VAL 29 HB VAL 29 13.651 2.932 5.573 720 1HG1 VAL 29 1HG1 VAL 29 13.612 0.653 4.566 721 2HG1 VAL 29 2HG1 VAL 29 15.013 1.094 3.596 722 3HG1 VAL 29 3HG1 VAL 29 13.481 1.945 3.380 723 1HG2 VAL 29 1HG2 VAL 29 15.650 2.470 7.001 724 2HG2 VAL 29 2HG2 VAL 29 16.132 1.216 5.858 725 3HG2 VAL 29 3HG2 VAL 29 14.628 1.052 6.763 726 H ASP 30 H ASP 30 17.122 3.727 2.648 727 HA ASP 30 HA ASP 30 19.417 3.100 2.455 728 1HB ASP 30 2HB ASP 30 18.874 4.568 4.987 729 2HB ASP 30 1HB ASP 30 20.475 3.889 4.792 730 H SER 31 H SER 31 19.184 0.714 2.478 731 HA SER 31 HA SER 31 20.243 -0.419 4.969 732 1HB SER 31 2HB SER 31 17.628 0.270 4.810 733 2HB SER 31 1HB SER 31 17.518 -1.368 4.236 734 HG SER 31 HG SER 31 18.482 -0.338 6.680 735 H GLN 32 H GLN 32 21.598 -0.785 2.795 736 HA GLN 32 HA GLN 32 20.906 -2.537 0.752 737 1HB GLN 32 2HB GLN 32 23.128 -1.275 1.518 738 2HB GLN 32 1HB GLN 32 23.543 -2.876 2.119 739 1HG GLN 32 2HG GLN 32 23.917 -3.659 0.039 740 2HG GLN 32 1HG GLN 32 22.393 -2.995 -0.552 741 1HE2 GLN 32 1HE2 GLN 32 22.913 -1.723 -2.327 742 2HE2 GLN 32 2HE2 GLN 32 24.148 -0.566 -2.352 743 H GLU 33 H GLU 33 21.246 -3.300 4.145 744 HA GLU 33 HA GLU 33 21.760 -6.117 3.903 745 1HB GLU 33 2HB GLU 33 20.022 -4.738 5.965 746 2HB GLU 33 1HB GLU 33 21.027 -6.170 6.183 747 1HG GLU 33 2HG GLU 33 22.921 -4.425 5.368 748 2HG GLU 33 1HG GLU 33 21.808 -3.304 6.153 749 H VAL 34 H VAL 34 18.955 -4.094 3.501 750 HA VAL 34 HA VAL 34 17.036 -6.299 3.465 751 HB VAL 34 HB VAL 34 17.127 -3.344 3.358 752 1HG1 VAL 34 1HG1 VAL 34 15.074 -4.891 1.756 753 2HG1 VAL 34 2HG1 VAL 34 16.082 -3.547 1.219 754 3HG1 VAL 34 3HG1 VAL 34 14.776 -3.263 2.369 755 1HG2 VAL 34 1HG2 VAL 34 14.808 -5.034 4.246 756 2HG2 VAL 34 2HG2 VAL 34 15.451 -3.552 4.957 757 3HG2 VAL 34 3HG2 VAL 34 16.310 -5.071 5.169 758 H ARG 35 H ARG 35 18.701 -4.247 1.061 759 HA ARG 35 HA ARG 35 17.451 -5.599 -1.224 760 1HB ARG 35 2HB ARG 35 19.162 -3.372 -0.601 761 2HB ARG 35 1HB ARG 35 19.858 -4.314 -1.914 762 1HG ARG 35 2HG ARG 35 17.269 -4.246 -2.704 763 2HG ARG 35 1HG ARG 35 17.378 -2.697 -1.865 764 1HD ARG 35 2HD ARG 35 19.206 -1.976 -3.233 765 2HD ARG 35 1HD ARG 35 19.402 -3.601 -3.916 766 HE ARG 35 HE ARG 35 16.759 -2.960 -4.466 767 1HH1 ARG 35 1HH2 ARG 35 19.730 -1.257 -4.859 768 2HH1 ARG 35 2HH2 ARG 35 19.300 -0.594 -6.398 769 1HH2 ARG 35 1HH1 ARG 35 16.240 -2.216 -6.546 770 2HH2 ARG 35 2HH1 ARG 35 17.327 -1.135 -7.353 771 H ASP 36 H ASP 36 20.593 -5.611 0.462 772 HA ASP 36 HA ASP 36 21.941 -7.557 -1.113 773 1HB ASP 36 2HB ASP 36 22.752 -6.061 0.852 774 2HB ASP 36 1HB ASP 36 22.073 -7.296 1.906 775 H TYR 37 H TYR 37 19.439 -7.635 1.232 776 HA TYR 37 HA TYR 37 19.356 -10.494 1.701 777 1HB TYR 37 2HB TYR 37 18.570 -9.206 3.448 778 2HB TYR 37 1HB TYR 37 17.847 -8.002 2.390 779 HD1 TYR 37 1HD TYR 37 17.340 -11.160 4.136 780 HD2 TYR 37 2HD TYR 37 15.799 -8.514 1.136 781 HE1 TYR 37 1HE TYR 37 15.195 -12.404 4.136 782 HE2 TYR 37 2HE TYR 37 13.671 -9.739 1.119 783 HH TYR 37 HH TYR 37 12.895 -12.094 3.544 784 H CYS 38 H CYS 38 17.361 -8.062 0.069 785 HA CYS 38 HA CYS 38 15.465 -9.668 -1.185 786 1HB CYS 38 2HB CYS 38 15.732 -7.142 -1.021 787 2HB CYS 38 1HB CYS 38 16.883 -7.267 -2.331 788 HG CYS 38 HG CYS 38 13.873 -8.019 -2.634 789 H GLU 39 H GLU 39 18.659 -8.684 -2.479 790 HA GLU 39 HA GLU 39 18.437 -10.415 -4.815 791 1HB GLU 39 2HB GLU 39 20.885 -9.771 -4.974 792 2HB GLU 39 1HB GLU 39 19.809 -8.381 -4.804 793 1HG GLU 39 2HG GLU 39 20.885 -7.777 -2.925 794 2HG GLU 39 1HG GLU 39 20.429 -9.318 -2.187 795 H LYS 40 H LYS 40 19.016 -10.920 -1.489 796 HA LYS 40 HA LYS 40 20.761 -13.263 -1.886 797 1HB LYS 40 2HB LYS 40 21.027 -11.887 0.147 798 2HB LYS 40 1HB LYS 40 19.314 -12.093 0.526 799 1HG LYS 40 2HG LYS 40 19.571 -14.404 0.968 800 2HG LYS 40 1HG LYS 40 21.177 -14.445 0.241 801 1HD LYS 40 2HD LYS 40 22.144 -13.830 2.181 802 2HD LYS 40 1HD LYS 40 21.054 -12.449 2.329 803 1HE LYS 40 2HE LYS 40 19.344 -13.828 3.370 804 2HE LYS 40 1HE LYS 40 20.303 -15.295 3.089 805 1HZ LYS 40 1HZ LYS 40 20.859 -14.661 5.254 806 2HZ LYS 40 2HZ LYS 40 20.916 -13.008 4.864 807 3HZ LYS 40 3HZ LYS 40 22.139 -14.055 4.319 808 H LYS 41 H LYS 41 17.538 -12.223 -1.327 809 HA LYS 41 HA LYS 41 16.230 -14.695 -0.781 810 1HB LYS 41 2HB LYS 41 15.305 -12.172 -2.144 811 2HB LYS 41 1HB LYS 41 14.282 -13.346 -1.359 812 1HG LYS 41 2HG LYS 41 15.888 -11.184 -0.244 813 2HG LYS 41 1HG LYS 41 14.402 -11.898 0.354 814 1HD LYS 41 2HD LYS 41 16.973 -13.442 0.512 815 2HD LYS 41 1HD LYS 41 16.559 -12.263 1.693 816 1HE LYS 41 2HE LYS 41 14.577 -13.415 2.336 817 2HE LYS 41 1HE LYS 41 14.642 -14.423 0.886 818 1HZ LYS 41 1HZ LYS 41 16.396 -15.638 1.679 819 2HZ LYS 41 2HZ LYS 41 15.598 -15.308 3.142 820 3HZ LYS 41 3HZ LYS 41 16.957 -14.396 2.688 821 H GLY 42 H GLY 42 16.316 -12.569 -3.538 822 1HA GLY 42 2HA GLY 42 17.112 -13.737 -5.653 823 2HA GLY 42 1HA GLY 42 15.769 -14.816 -5.375 824 H TRP 43 H TRP 43 16.307 -11.309 -5.403 825 HA TRP 43 HA TRP 43 14.084 -11.060 -7.377 826 1HB TRP 43 2HB TRP 43 14.857 -8.757 -5.668 827 2HB TRP 43 1HB TRP 43 13.356 -9.070 -6.437 828 HD1 TRP 43 HD TRP 43 14.957 -11.625 -4.164 829 HE1 TRP 43 1HE TRP 43 13.596 -11.847 -2.133 830 HE3 TRP 43 3HE TRP 43 11.555 -7.876 -4.829 831 HZ2 TRP 43 2HZ TRP 43 11.504 -10.706 -0.747 832 HZ3 TRP 43 3HZ TRP 43 9.885 -7.459 -3.074 833 HH2 TRP 43 HH TRP 43 9.820 -8.870 -1.026 834 H ILE 44 H ILE 44 16.710 -9.749 -5.761 835 HA ILE 44 HA ILE 44 18.761 -9.072 -6.477 836 HB ILE 44 HB ILE 44 17.696 -8.994 -9.270 837 1HG1 ILE 44 2HG1 ILE 44 19.066 -11.443 -8.328 838 2HG1 ILE 44 1HG1 ILE 44 17.444 -11.227 -7.734 839 1HG2 ILE 44 1HG2 ILE 44 20.337 -9.026 -7.866 840 2HG2 ILE 44 2HG2 ILE 44 19.879 -8.214 -9.369 841 3HG2 ILE 44 3HG2 ILE 44 20.245 -9.940 -9.377 842 1HD1 ILE 44 1HD1 ILE 44 18.049 -12.304 -10.174 843 2HD1 ILE 44 2HD1 ILE 44 17.761 -10.615 -10.592 844 3HD1 ILE 44 3HD1 ILE 44 16.506 -11.546 -9.775 845 H VAL 45 H VAL 45 16.139 -7.531 -6.298 846 HA VAL 45 HA VAL 45 15.695 -5.278 -7.644 847 HB VAL 45 HB VAL 45 15.518 -4.158 -5.382 848 1HG1 VAL 45 1HG1 VAL 45 13.822 -5.794 -4.545 849 2HG1 VAL 45 2HG1 VAL 45 14.399 -6.935 -5.755 850 3HG1 VAL 45 3HG1 VAL 45 13.651 -5.422 -6.259 851 1HG2 VAL 45 1HG2 VAL 45 16.623 -6.819 -4.467 852 2HG2 VAL 45 2HG2 VAL 45 15.988 -5.558 -3.412 853 3HG2 VAL 45 3HG2 VAL 45 17.458 -5.272 -4.342 854 H ASN 46 H ASN 46 17.247 -4.188 -8.860 855 HA ASN 46 HA ASN 46 19.113 -2.422 -7.511 856 1HB ASN 46 2HB ASN 46 20.442 -4.348 -7.172 857 2HB ASN 46 1HB ASN 46 20.024 -5.019 -8.748 858 1HD2 ASN 46 1HD2 ASN 46 22.409 -5.174 -9.167 859 2HD2 ASN 46 2HD2 ASN 46 23.264 -3.786 -9.638 860 H ILE 47 H ILE 47 18.431 -0.742 -8.885 861 HA ILE 47 HA ILE 47 18.812 -1.183 -11.830 862 HB ILE 47 HB ILE 47 16.486 -0.717 -10.809 863 1HG1 ILE 47 2HG1 ILE 47 17.047 -0.465 -13.217 864 2HG1 ILE 47 1HG1 ILE 47 15.877 0.745 -12.688 865 1HG2 ILE 47 1HG2 ILE 47 15.976 1.491 -10.109 866 2HG2 ILE 47 2HG2 ILE 47 17.489 2.132 -10.751 867 3HG2 ILE 47 3HG2 ILE 47 17.503 1.121 -9.305 868 1HD1 ILE 47 1HD1 ILE 47 18.100 2.136 -12.186 869 2HD1 ILE 47 2HD1 ILE 47 17.366 2.126 -13.789 870 3HD1 ILE 47 3HD1 ILE 47 18.748 1.085 -13.446 871 H THR 48 H THR 48 20.445 0.021 -12.730 872 HA THR 48 HA THR 48 21.143 2.656 -11.531 873 HB THR 48 HB THR 48 23.388 0.815 -12.199 874 HG1 THR 48 1HG THR 48 22.269 0.568 -9.665 875 1HG2 THR 48 1HG2 THR 48 22.999 3.267 -10.856 876 2HG2 THR 48 2HG2 THR 48 24.504 2.358 -11.005 877 3HG2 THR 48 3HG2 THR 48 23.452 2.099 -9.615 878 H SER 49 H SER 49 22.315 4.017 -13.035 879 HA SER 49 HA SER 49 21.754 3.405 -15.859 880 1HB SER 49 2HB SER 49 22.098 5.676 -14.160 881 2HB SER 49 1HB SER 49 23.295 5.789 -15.447 882 HG SER 49 HG SER 49 20.493 5.740 -15.579 883 H GLN 50 H GLN 50 23.790 4.403 -17.292 884 HA GLN 50 HA GLN 50 25.863 2.400 -17.103 885 1HB GLN 50 2HB GLN 50 26.839 3.821 -18.958 886 2HB GLN 50 1HB GLN 50 25.168 3.319 -19.226 887 1HG GLN 50 2HG GLN 50 24.329 5.437 -18.886 888 2HG GLN 50 1HG GLN 50 25.631 5.887 -17.783 889 1HE2 GLN 50 1HE2 GLN 50 27.763 6.431 -18.778 890 2HE2 GLN 50 2HE2 GLN 50 27.832 6.955 -20.391 891 H VAL 51 H VAL 51 26.062 3.380 -14.628 892 HA VAL 51 HA VAL 51 28.079 5.565 -14.579 893 HB VAL 51 HB VAL 51 25.997 5.403 -13.098 894 1HG1 VAL 51 1HG1 VAL 51 27.489 3.632 -11.256 895 2HG1 VAL 51 2HG1 VAL 51 26.832 2.838 -12.688 896 3HG1 VAL 51 3HG1 VAL 51 25.758 3.708 -11.591 897 1HG2 VAL 51 1HG2 VAL 51 27.198 6.896 -11.915 898 2HG2 VAL 51 2HG2 VAL 51 28.701 6.177 -12.496 899 3HG2 VAL 51 3HG2 VAL 51 27.939 5.565 -11.027 900 H GLN 52 H GLN 52 29.140 3.301 -15.756 901 HA GLN 52 HA GLN 52 31.070 1.943 -15.580 902 1HB GLN 52 2HB GLN 52 31.208 3.969 -13.571 903 2HB GLN 52 1HB GLN 52 31.788 2.463 -12.856 904 1HG GLN 52 2HG GLN 52 33.287 2.156 -14.836 905 2HG GLN 52 1HG GLN 52 32.778 3.741 -15.422 906 1HE2 GLN 52 1HE2 GLN 52 35.152 2.208 -13.579 907 2HE2 GLN 52 2HE2 GLN 52 35.698 3.551 -12.695 908 H THR 53 H THR 53 30.139 -0.116 -15.580 909 HA THR 53 HA THR 53 29.545 -1.300 -12.886 910 HB THR 53 HB THR 53 27.683 -2.476 -13.932 911 HG1 THR 53 1HG THR 53 27.337 -1.593 -16.243 912 1HG2 THR 53 1HG2 THR 53 26.914 -0.397 -13.195 913 2HG2 THR 53 2HG2 THR 53 26.433 -0.386 -14.892 914 3HG2 THR 53 3HG2 THR 53 27.876 0.488 -14.380 915 H GLU 54 H GLU 54 29.991 -2.309 -16.299 916 HA GLU 54 HA GLU 54 31.313 -4.036 -17.221 917 1HB GLU 54 2HB GLU 54 32.821 -2.412 -15.600 918 2HB GLU 54 1HB GLU 54 33.162 -4.004 -14.924 919 1HG GLU 54 2HG GLU 54 33.926 -4.838 -17.037 920 2HG GLU 54 1HG GLU 54 33.322 -3.415 -17.887 921 H ARG 55 H ARG 55 32.610 -6.166 -16.312 922 HA ARG 55 HA ARG 55 32.419 -8.257 -15.222 923 1HB ARG 55 2HB ARG 55 32.240 -6.528 -13.284 924 2HB ARG 55 1HB ARG 55 30.514 -6.892 -13.320 925 1HG ARG 55 2HG ARG 55 31.286 -9.384 -13.245 926 2HG ARG 55 1HG ARG 55 32.813 -8.720 -12.663 927 1HD ARG 55 2HD ARG 55 31.489 -9.201 -10.702 928 2HD ARG 55 1HD ARG 55 31.423 -7.441 -10.920 929 HE ARG 55 HE ARG 55 29.298 -8.318 -12.432 930 1HH1 ARG 55 1HH1 ARG 55 29.344 -10.685 -10.504 931 2HH1 ARG 55 2HH1 ARG 55 28.213 -10.158 -9.303 932 1HH2 ARG 55 1HH2 ARG 55 28.268 -6.844 -10.327 933 2HH2 ARG 55 2HH2 ARG 55 27.603 -7.983 -9.203 934 H ASN 56 H ASN 56 31.254 -9.543 -16.631 935 HA ASN 56 HA ASN 56 28.409 -9.960 -16.118 936 1HB ASN 56 2HB ASN 56 29.319 -8.054 -18.089 937 2HB ASN 56 1HB ASN 56 28.471 -9.377 -18.893 938 1HD2 ASN 56 1HD2 ASN 56 26.310 -8.809 -19.150 939 2HD2 ASN 56 2HD2 ASN 56 25.365 -8.013 -17.986 940 H ILE 57 H ILE 57 31.105 -11.395 -16.434 941 HA ILE 57 HA ILE 57 30.282 -13.362 -18.546 942 HB ILE 57 HB ILE 57 32.429 -12.109 -18.848 943 1HG1 ILE 57 2HG1 ILE 57 33.356 -14.860 -18.240 944 2HG1 ILE 57 1HG1 ILE 57 31.936 -14.751 -19.280 945 1HG2 ILE 57 1HG2 ILE 57 34.055 -13.471 -16.965 946 2HG2 ILE 57 2HG2 ILE 57 32.694 -12.800 -16.066 947 3HG2 ILE 57 3HG2 ILE 57 33.716 -11.743 -17.039 948 1HD1 ILE 57 1HD1 ILE 57 33.454 -14.468 -20.949 949 2HD1 ILE 57 2HD1 ILE 57 34.733 -13.991 -19.833 950 3HD1 ILE 57 3HD1 ILE 57 33.534 -12.809 -20.358 951 H ASN 58 H ASN 58 28.869 -13.946 -16.440 952 HA ASN 58 HA ASN 58 30.032 -15.221 -14.187 953 1HB ASN 58 2HB ASN 58 27.761 -16.384 -14.162 954 2HB ASN 58 1HB ASN 58 27.705 -14.624 -14.259 955 1HD2 ASN 58 1HD2 ASN 58 26.871 -13.668 -16.197 956 2HD2 ASN 58 2HD2 ASN 58 26.229 -14.584 -17.473 957 H ARG 59 H ARG 59 30.102 -17.588 -13.755 958 HA ARG 59 HA ARG 59 31.332 -19.045 -15.999 959 1HB ARG 59 2HB ARG 59 31.520 -18.930 -13.185 960 2HB ARG 59 1HB ARG 59 30.914 -20.546 -13.554 961 1HG ARG 59 2HG ARG 59 32.830 -21.163 -14.666 962 2HG ARG 59 1HG ARG 59 33.151 -19.526 -15.238 963 1HD ARG 59 2HD ARG 59 33.307 -19.892 -12.294 964 2HD ARG 59 1HD ARG 59 34.584 -20.679 -13.244 965 HE ARG 59 HE ARG 59 33.948 -17.760 -13.354 966 1HH1 ARG 59 1HH1 ARG 59 36.377 -19.908 -12.700 967 2HH1 ARG 59 2HH1 ARG 59 37.542 -19.229 -13.786 968 1HH2 ARG 59 1HH2 ARG 59 35.266 -17.115 -15.327 969 2HH2 ARG 59 2HH2 ARG 59 36.913 -17.648 -15.274 970 H ALA 60 H ALA 60 29.657 -19.668 -17.428 971 HA ALA 60 HA ALA 60 27.059 -20.557 -16.753 972 1HB ALA 60 1HB ALA 60 28.163 -21.976 -19.018 973 2HB ALA 60 2HB ALA 60 28.743 -20.311 -19.012 974 3HB ALA 60 3HB ALA 60 27.011 -20.641 -19.011 Start of MODEL 8 1 1H MET 1 1HT MET 1 -8.436 7.451 -28.020 2 2H MET 1 2HT MET 1 -9.646 6.623 -27.161 3 3H MET 1 3HT MET 1 -8.184 5.844 -27.542 4 HA MET 1 HA MET 1 -7.053 6.796 -25.840 5 1HB MET 1 2HB MET 1 -8.834 9.127 -26.571 6 2HB MET 1 1HB MET 1 -7.764 9.190 -25.170 7 1HG MET 1 2HG MET 1 -6.020 8.280 -27.029 8 2HG MET 1 1HG MET 1 -7.095 9.220 -28.064 9 1HE MET 1 1HE MET 1 -7.782 12.049 -25.886 10 2HE MET 1 2HE MET 1 -8.097 11.192 -27.394 11 3HE MET 1 3HE MET 1 -7.001 12.571 -27.385 12 H GLY 2 H GLY 2 -9.176 5.000 -25.472 13 1HA GLY 2 2HA GLY 2 -9.828 4.499 -23.049 14 2HA GLY 2 1HA GLY 2 -10.582 6.093 -23.070 15 HA PRO 3 HA PRO 3 -13.265 2.685 -25.121 16 1HB PRO 3 2HB PRO 3 -14.336 1.341 -22.997 17 2HB PRO 3 1HB PRO 3 -12.840 0.818 -23.798 18 1HG PRO 3 2HG PRO 3 -13.201 2.332 -21.258 19 2HG PRO 3 1HG PRO 3 -12.043 1.048 -21.654 20 1HD PRO 3 2HD PRO 3 -11.397 3.698 -21.616 21 2HD PRO 3 1HD PRO 3 -10.567 2.501 -22.635 22 H LEU 4 H LEU 4 -13.775 4.180 -21.941 23 HA LEU 4 HA LEU 4 -16.187 5.588 -22.955 24 1HB LEU 4 2HB LEU 4 -16.329 3.154 -21.658 25 2HB LEU 4 1HB LEU 4 -16.519 4.294 -20.330 26 HG LEU 4 HG LEU 4 -18.238 5.485 -21.864 27 1HD1 LEU 4 1HD1 LEU 4 -19.156 3.153 -23.162 28 2HD1 LEU 4 2HD1 LEU 4 -17.428 3.248 -23.506 29 3HD1 LEU 4 3HD1 LEU 4 -18.486 4.598 -23.917 30 1HD2 LEU 4 1HD2 LEU 4 -18.442 3.377 -19.984 31 2HD2 LEU 4 2HD2 LEU 4 -19.563 2.985 -21.289 32 3HD2 LEU 4 3HD2 LEU 4 -19.699 4.526 -20.443 33 H GLN 5 H GLN 5 -17.064 6.781 -20.698 34 HA GLN 5 HA GLN 5 -15.309 8.853 -20.071 35 1HB GLN 5 2HB GLN 5 -17.821 8.134 -19.377 36 2HB GLN 5 1HB GLN 5 -16.991 7.749 -17.868 37 1HG GLN 5 2HG GLN 5 -15.898 10.162 -18.351 38 2HG GLN 5 1HG GLN 5 -17.451 10.391 -19.155 39 1HE2 GLN 5 1HE2 GLN 5 -16.497 11.606 -16.567 40 2HE2 GLN 5 2HE2 GLN 5 -17.643 11.140 -15.404 41 H TYR 6 H TYR 6 -15.312 5.559 -18.908 42 HA TYR 6 HA TYR 6 -13.912 4.418 -17.390 43 1HB TYR 6 2HB TYR 6 -12.514 5.328 -19.394 44 2HB TYR 6 1HB TYR 6 -11.869 6.475 -18.218 45 HD1 TYR 6 1HD TYR 6 -11.137 5.378 -15.898 46 HD2 TYR 6 2HD TYR 6 -11.429 3.277 -19.636 47 HE1 TYR 6 1HE TYR 6 -9.598 3.634 -15.038 48 HE2 TYR 6 2HE TYR 6 -9.887 1.534 -18.774 49 HH TYR 6 HH TYR 6 -9.298 0.898 -15.830 50 H LYS 7 H LYS 7 -15.086 5.296 -15.467 51 HA LYS 7 HA LYS 7 -13.266 6.746 -13.685 52 1HB LYS 7 2HB LYS 7 -15.343 8.065 -15.253 53 2HB LYS 7 1HB LYS 7 -15.572 8.322 -13.524 54 1HG LYS 7 2HG LYS 7 -12.777 8.577 -14.145 55 2HG LYS 7 1HG LYS 7 -13.706 9.611 -15.231 56 1HD LYS 7 2HD LYS 7 -14.352 9.579 -12.297 57 2HD LYS 7 1HD LYS 7 -12.990 10.537 -12.882 58 1HE LYS 7 2HE LYS 7 -15.215 11.001 -14.633 59 2HE LYS 7 1HE LYS 7 -15.754 11.236 -12.959 60 1HZ LYS 7 1HZ LYS 7 -13.108 12.243 -13.669 61 2HZ LYS 7 2HZ LYS 7 -14.259 12.885 -12.597 62 3HZ LYS 7 3HZ LYS 7 -14.437 13.106 -14.272 63 H ASP 8 H ASP 8 -14.155 4.248 -13.218 64 HA ASP 8 HA ASP 8 -16.372 4.590 -11.223 65 1HB ASP 8 2HB ASP 8 -15.677 2.368 -13.156 66 2HB ASP 8 1HB ASP 8 -16.758 2.106 -11.789 67 H LEU 9 H LEU 9 -14.232 5.133 -9.948 68 HA LEU 9 HA LEU 9 -13.619 2.878 -8.243 69 1HB LEU 9 2HB LEU 9 -11.263 2.617 -8.939 70 2HB LEU 9 1HB LEU 9 -12.346 2.292 -10.292 71 HG LEU 9 HG LEU 9 -11.723 5.114 -10.172 72 1HD1 LEU 9 1HD1 LEU 9 -9.612 3.637 -9.213 73 2HD1 LEU 9 2HD1 LEU 9 -9.455 5.186 -10.044 74 3HD1 LEU 9 3HD1 LEU 9 -9.267 3.680 -10.943 75 1HD2 LEU 9 1HD2 LEU 9 -11.476 4.828 -12.468 76 2HD2 LEU 9 2HD2 LEU 9 -12.481 3.433 -12.074 77 3HD2 LEU 9 3HD2 LEU 9 -10.743 3.233 -12.293 78 H LYS 10 H LYS 10 -10.851 3.998 -7.770 79 HA LYS 10 HA LYS 10 -9.801 5.776 -6.606 80 1HB LYS 10 2HB LYS 10 -11.739 6.964 -8.222 81 2HB LYS 10 1HB LYS 10 -12.112 7.574 -6.610 82 1HG LYS 10 2HG LYS 10 -10.518 9.091 -7.592 83 2HG LYS 10 1HG LYS 10 -9.664 8.158 -6.362 84 1HD LYS 10 2HD LYS 10 -8.900 6.589 -8.165 85 2HD LYS 10 1HD LYS 10 -9.630 7.669 -9.353 86 1HE LYS 10 2HE LYS 10 -8.187 9.528 -8.502 87 2HE LYS 10 1HE LYS 10 -7.391 8.367 -7.422 88 1HZ LYS 10 1HZ LYS 10 -6.369 8.719 -9.724 89 2HZ LYS 10 2HZ LYS 10 -7.687 7.822 -10.312 90 3HZ LYS 10 3HZ LYS 10 -6.603 7.122 -9.207 91 H ILE 11 H ILE 11 -10.762 7.422 -4.647 92 HA ILE 11 HA ILE 11 -11.297 7.247 -2.335 93 HB ILE 11 HB ILE 11 -13.664 7.038 -2.099 94 1HG1 ILE 11 2HG1 ILE 11 -14.092 5.760 -4.760 95 2HG1 ILE 11 1HG1 ILE 11 -13.504 4.703 -3.477 96 1HG2 ILE 11 1HG2 ILE 11 -12.952 8.871 -3.555 97 2HG2 ILE 11 2HG2 ILE 11 -14.504 8.228 -4.093 98 3HG2 ILE 11 3HG2 ILE 11 -13.024 7.797 -4.950 99 1HD1 ILE 11 1HD1 ILE 11 -15.492 6.222 -2.242 100 2HD1 ILE 11 2HD1 ILE 11 -15.649 4.552 -2.792 101 3HD1 ILE 11 3HD1 ILE 11 -16.148 5.877 -3.843 102 H ASP 12 H ASP 12 -10.014 4.763 -3.606 103 HA ASP 12 HA ASP 12 -11.345 2.642 -2.072 104 1HB ASP 12 2HB ASP 12 -8.809 2.514 -3.726 105 2HB ASP 12 1HB ASP 12 -9.879 1.179 -3.303 106 H ILE 13 H ILE 13 -9.273 1.078 -1.190 107 HA ILE 13 HA ILE 13 -8.301 2.556 1.138 108 HB ILE 13 HB ILE 13 -7.721 -0.251 0.133 109 1HG1 ILE 13 2HG1 ILE 13 -10.151 0.223 0.357 110 2HG1 ILE 13 1HG1 ILE 13 -9.595 -0.929 1.573 111 1HG2 ILE 13 1HG2 ILE 13 -6.664 1.216 2.298 112 2HG2 ILE 13 2HG2 ILE 13 -6.529 -0.521 2.027 113 3HG2 ILE 13 3HG2 ILE 13 -7.852 0.119 3.002 114 1HD1 ILE 13 1HD1 ILE 13 -10.937 1.511 2.032 115 2HD1 ILE 13 2HD1 ILE 13 -9.271 1.773 2.547 116 3HD1 ILE 13 3HD1 ILE 13 -10.209 0.451 3.241 117 H LYS 14 H LYS 14 -6.203 3.292 1.475 118 HA LYS 14 HA LYS 14 -4.252 2.889 -0.772 119 1HB LYS 14 2HB LYS 14 -5.239 5.180 -0.462 120 2HB LYS 14 1HB LYS 14 -4.537 5.216 1.156 121 1HG LYS 14 2HG LYS 14 -2.704 6.099 0.167 122 2HG LYS 14 1HG LYS 14 -2.392 4.465 -0.419 123 1HD LYS 14 2HD LYS 14 -3.892 5.025 -2.404 124 2HD LYS 14 1HD LYS 14 -3.827 6.703 -1.863 125 1HE LYS 14 2HE LYS 14 -1.858 6.929 -2.957 126 2HE LYS 14 1HE LYS 14 -1.148 5.730 -1.858 127 1HZ LYS 14 1HZ LYS 14 -2.598 5.213 -4.397 128 2HZ LYS 14 2HZ LYS 14 -2.232 3.996 -3.269 129 3HZ LYS 14 3HZ LYS 14 -0.980 4.845 -4.042 130 H THR 15 H THR 15 -4.428 1.043 1.394 131 HA THR 15 HA THR 15 -1.735 1.390 2.590 132 HB THR 15 HB THR 15 -2.876 0.796 4.832 133 HG1 THR 15 1HG THR 15 -5.087 2.142 3.862 134 1HG2 THR 15 1HG2 THR 15 -1.850 2.995 4.238 135 2HG2 THR 15 2HG2 THR 15 -3.230 3.146 5.326 136 3HG2 THR 15 3HG2 THR 15 -3.415 3.512 3.611 137 H SER 16 H SER 16 -0.825 -0.574 1.925 138 HA SER 16 HA SER 16 -2.349 -2.936 1.395 139 1HB SER 16 2HB SER 16 0.608 -2.551 1.953 140 2HB SER 16 1HB SER 16 -0.103 -3.949 1.168 141 HG SER 16 HG SER 16 0.199 -1.324 0.267 142 HA PRO 17 HA PRO 17 0.829 -4.040 2.701 143 1HB PRO 17 2HB PRO 17 1.974 -5.348 4.750 144 2HB PRO 17 1HB PRO 17 1.826 -3.593 4.743 145 1HG PRO 17 2HG PRO 17 0.566 -5.477 6.474 146 2HG PRO 17 1HG PRO 17 0.421 -3.715 6.484 147 1HD PRO 17 2HD PRO 17 -1.333 -5.728 5.208 148 2HD PRO 17 1HD PRO 17 -1.708 -4.144 5.867 149 HA PRO 18 HA PRO 18 -0.970 -8.447 3.216 150 1HB PRO 18 2HB PRO 18 -2.549 -8.701 0.984 151 2HB PRO 18 1HB PRO 18 -3.120 -8.155 2.585 152 1HG PRO 18 2HG PRO 18 -2.390 -6.513 0.209 153 2HG PRO 18 1HG PRO 18 -3.772 -6.369 1.303 154 1HD PRO 18 2HD PRO 18 -1.609 -4.803 1.561 155 2HD PRO 18 1HD PRO 18 -2.544 -5.354 2.964 156 HA PRO 19 HA PRO 19 1.514 -9.151 -0.714 157 1HB PRO 19 2HB PRO 19 2.757 -7.007 -1.880 158 2HB PRO 19 1HB PRO 19 1.144 -7.557 -2.371 159 1HG PRO 19 2HG PRO 19 1.925 -5.198 -0.806 160 2HG PRO 19 1HG PRO 19 0.482 -5.478 -1.787 161 1HD PRO 19 2HD PRO 19 0.688 -5.604 1.019 162 2HD PRO 19 1HD PRO 19 -0.703 -6.071 0.034 163 H GLU 20 H GLU 20 2.428 -9.665 1.478 164 HA GLU 20 HA GLU 20 4.248 -8.170 2.985 165 1HB GLU 20 2HB GLU 20 5.059 -10.539 3.613 166 2HB GLU 20 1HB GLU 20 3.357 -10.155 3.860 167 1HG GLU 20 2HG GLU 20 2.742 -11.790 2.438 168 2HG GLU 20 1HG GLU 20 3.756 -11.106 1.165 169 H CYS 21 H CYS 21 5.290 -7.398 0.554 170 HA CYS 21 HA CYS 21 7.607 -9.117 -0.033 171 1HB CYS 21 2HB CYS 21 8.105 -6.674 -1.286 172 2HB CYS 21 1HB CYS 21 7.392 -8.092 -2.028 173 HG CYS 21 HG CYS 21 5.542 -6.455 -2.455 174 H ILE 22 H ILE 22 6.877 -6.245 1.846 175 HA ILE 22 HA ILE 22 9.684 -5.617 2.444 176 HB ILE 22 HB ILE 22 7.112 -4.815 3.839 177 1HG1 ILE 22 2HG1 ILE 22 6.628 -3.578 2.065 178 2HG1 ILE 22 1HG1 ILE 22 8.069 -2.631 2.366 179 1HG2 ILE 22 1HG2 ILE 22 8.578 -3.970 5.312 180 2HG2 ILE 22 2HG2 ILE 22 8.904 -2.752 4.080 181 3HG2 ILE 22 3HG2 ILE 22 9.939 -4.172 4.212 182 1HD1 ILE 22 1HD1 ILE 22 8.376 -3.299 0.138 183 2HD1 ILE 22 2HD1 ILE 22 7.672 -4.891 0.416 184 3HD1 ILE 22 3HD1 ILE 22 9.287 -4.523 1.021 185 H ASN 23 H ASN 23 6.934 -6.799 4.401 186 HA ASN 23 HA ASN 23 8.580 -7.414 6.669 187 1HB ASN 23 2HB ASN 23 6.618 -8.619 7.457 188 2HB ASN 23 1HB ASN 23 6.112 -7.123 6.687 189 1HD2 ASN 23 1HD2 ASN 23 4.734 -9.851 7.016 190 2HD2 ASN 23 2HD2 ASN 23 4.252 -10.260 5.445 191 H ASP 24 H ASP 24 7.311 -9.570 4.075 192 HA ASP 24 HA ASP 24 8.598 -11.952 4.987 193 1HB ASP 24 2HB ASP 24 6.869 -11.558 3.099 194 2HB ASP 24 1HB ASP 24 8.246 -11.090 2.101 195 H LEU 25 H LEU 25 9.696 -9.018 3.560 196 HA LEU 25 HA LEU 25 12.278 -10.022 2.686 197 1HB LEU 25 2HB LEU 25 11.635 -8.216 1.436 198 2HB LEU 25 1HB LEU 25 10.752 -7.480 2.741 199 HG LEU 25 HG LEU 25 13.385 -7.369 3.642 200 1HD1 LEU 25 1HD1 LEU 25 14.840 -7.251 1.995 201 2HD1 LEU 25 2HD1 LEU 25 13.825 -6.123 1.099 202 3HD1 LEU 25 3HD1 LEU 25 13.580 -7.859 0.921 203 1HD2 LEU 25 1HD2 LEU 25 11.328 -5.651 3.280 204 2HD2 LEU 25 2HD2 LEU 25 12.472 -5.054 2.076 205 3HD2 LEU 25 3HD2 LEU 25 12.951 -5.165 3.773 206 H LEU 26 H LEU 26 11.215 -7.547 4.863 207 HA LEU 26 HA LEU 26 13.646 -7.357 6.247 208 1HB LEU 26 2HB LEU 26 12.275 -5.471 5.982 209 2HB LEU 26 1HB LEU 26 10.853 -6.344 6.522 210 HG LEU 26 HG LEU 26 11.844 -6.566 8.742 211 1HD1 LEU 26 1HD1 LEU 26 14.091 -6.314 8.814 212 2HD1 LEU 26 2HD1 LEU 26 13.778 -4.587 8.711 213 3HD1 LEU 26 3HD1 LEU 26 14.109 -5.498 7.248 214 1HD2 LEU 26 1HD2 LEU 26 10.775 -4.633 9.248 215 2HD2 LEU 26 2HD2 LEU 26 10.734 -4.274 7.521 216 3HD2 LEU 26 3HD2 LEU 26 12.064 -3.685 8.512 217 H GLN 27 H GLN 27 11.317 -9.715 6.420 218 HA GLN 27 HA GLN 27 11.149 -10.187 9.260 219 1HB GLN 27 2HB GLN 27 10.568 -11.529 6.667 220 2HB GLN 27 1HB GLN 27 10.691 -12.541 8.095 221 1HG GLN 27 2HG GLN 27 9.154 -10.145 8.647 222 2HG GLN 27 1HG GLN 27 8.462 -11.045 7.301 223 1HE2 GLN 27 1HE2 GLN 27 9.425 -13.671 8.340 224 2HE2 GLN 27 2HE2 GLN 27 8.431 -14.040 9.660 225 H ALA 28 H ALA 28 13.647 -10.333 6.963 226 HA ALA 28 HA ALA 28 15.148 -12.294 8.616 227 1HB ALA 28 1HB ALA 28 15.497 -13.501 6.742 228 2HB ALA 28 2HB ALA 28 15.949 -12.063 5.820 229 3HB ALA 28 3HB ALA 28 14.246 -12.502 6.000 230 H VAL 29 H VAL 29 15.210 -9.012 7.266 231 HA VAL 29 HA VAL 29 18.176 -9.067 7.669 232 HB VAL 29 HB VAL 29 17.848 -8.294 5.513 233 1HG1 VAL 29 1HG1 VAL 29 15.361 -6.846 6.433 234 2HG1 VAL 29 2HG1 VAL 29 15.388 -8.405 5.605 235 3HG1 VAL 29 3HG1 VAL 29 15.940 -6.965 4.778 236 1HG2 VAL 29 1HG2 VAL 29 17.456 -5.741 7.100 237 2HG2 VAL 29 2HG2 VAL 29 18.101 -5.864 5.467 238 3HG2 VAL 29 3HG2 VAL 29 19.010 -6.525 6.824 239 H ASP 30 H ASP 30 15.686 -8.608 9.551 240 HA ASP 30 HA ASP 30 15.310 -7.216 11.451 241 1HB ASP 30 2HB ASP 30 18.207 -7.717 10.976 242 2HB ASP 30 1HB ASP 30 17.789 -6.591 12.249 243 H SER 31 H SER 31 14.337 -5.301 10.377 244 HA SER 31 HA SER 31 16.164 -3.008 10.478 245 1HB SER 31 2HB SER 31 16.251 -4.692 8.364 246 2HB SER 31 1HB SER 31 15.030 -3.599 7.783 247 HG SER 31 HG SER 31 17.699 -3.131 8.565 248 H GLN 32 H GLN 32 14.119 -2.966 12.003 249 HA GLN 32 HA GLN 32 11.491 -2.527 11.232 250 1HB GLN 32 2HB GLN 32 13.011 -2.324 13.487 251 2HB GLN 32 1HB GLN 32 12.620 -0.630 13.198 252 1HG GLN 32 2HG GLN 32 10.241 -2.109 12.745 253 2HG GLN 32 1HG GLN 32 10.929 -2.699 14.259 254 1HE2 GLN 32 1HE2 GLN 32 9.277 -0.062 12.753 255 2HE2 GLN 32 2HE2 GLN 32 9.279 0.975 14.090 256 H GLU 33 H GLU 33 14.247 -0.491 10.529 257 HA GLU 33 HA GLU 33 12.801 1.976 10.090 258 1HB GLU 33 2HB GLU 33 15.297 1.030 8.654 259 2HB GLU 33 1HB GLU 33 14.853 2.682 9.086 260 1HG GLU 33 2HG GLU 33 14.866 1.712 11.547 261 2HG GLU 33 1HG GLU 33 15.928 0.498 10.832 262 H VAL 34 H VAL 34 13.376 -0.934 8.250 263 HA VAL 34 HA VAL 34 12.438 0.174 5.722 264 HB VAL 34 HB VAL 34 13.569 -2.313 6.844 265 1HG1 VAL 34 1HG1 VAL 34 11.845 -3.630 6.106 266 2HG1 VAL 34 2HG1 VAL 34 12.667 -3.429 4.558 267 3HG1 VAL 34 3HG1 VAL 34 11.272 -2.426 4.952 268 1HG2 VAL 34 1HG2 VAL 34 13.694 -1.435 3.975 269 2HG2 VAL 34 2HG2 VAL 34 14.958 -2.133 4.985 270 3HG2 VAL 34 3HG2 VAL 34 14.485 -0.460 5.210 271 H ARG 35 H ARG 35 11.096 -1.767 8.364 272 HA ARG 35 HA ARG 35 8.465 -2.055 7.100 273 1HB ARG 35 2HB ARG 35 9.973 -2.938 9.380 274 2HB ARG 35 1HB ARG 35 8.403 -2.346 9.908 275 1HG ARG 35 2HG ARG 35 7.685 -3.807 7.727 276 2HG ARG 35 1HG ARG 35 9.071 -4.735 8.305 277 1HD ARG 35 2HD ARG 35 8.098 -4.948 10.513 278 2HD ARG 35 1HD ARG 35 6.779 -3.848 10.071 279 HE ARG 35 HE ARG 35 5.959 -5.556 8.505 280 1HH1 ARG 35 1HH1 ARG 35 8.925 -6.734 8.638 281 2HH1 ARG 35 2HH1 ARG 35 8.552 -8.304 9.266 282 1HH2 ARG 35 1HH2 ARG 35 5.307 -7.473 10.153 283 2HH2 ARG 35 2HH2 ARG 35 6.508 -8.722 10.124 284 H ASP 36 H ASP 36 9.970 -0.120 9.683 285 HA ASP 36 HA ASP 36 7.760 1.479 10.451 286 1HB ASP 36 2HB ASP 36 10.068 1.361 11.490 287 2HB ASP 36 1HB ASP 36 10.679 2.275 10.113 288 H TYR 37 H TYR 37 9.822 1.378 7.712 289 HA TYR 37 HA TYR 37 9.050 3.893 6.497 290 1HB TYR 37 2HB TYR 37 11.176 3.175 5.960 291 2HB TYR 37 1HB TYR 37 10.722 1.478 5.929 292 HD1 TYR 37 1HD TYR 37 11.024 4.538 3.981 293 HD2 TYR 37 2HD TYR 37 9.346 0.593 4.086 294 HE1 TYR 37 1HE TYR 37 10.533 4.681 1.554 295 HE2 TYR 37 2HE TYR 37 8.838 0.722 1.685 296 HH TYR 37 HH TYR 37 8.655 2.208 -0.092 297 H CYS 38 H CYS 38 8.573 0.434 5.862 298 HA CYS 38 HA CYS 38 6.762 0.534 3.749 299 1HB CYS 38 2HB CYS 38 7.950 -1.406 4.914 300 2HB CYS 38 1HB CYS 38 6.675 -1.337 6.108 301 HG CYS 38 HG CYS 38 6.050 -3.058 4.183 302 H GLU 39 H GLU 39 5.987 0.530 7.254 303 HA GLU 39 HA GLU 39 3.148 1.011 6.795 304 1HB GLU 39 2HB GLU 39 3.260 1.417 9.293 305 2HB GLU 39 1HB GLU 39 3.990 -0.117 8.807 306 1HG GLU 39 2HG GLU 39 5.935 0.532 9.726 307 2HG GLU 39 1HG GLU 39 5.999 1.875 8.577 308 H LYS 40 H LYS 40 5.982 2.908 6.574 309 HA LYS 40 HA LYS 40 4.655 5.425 7.352 310 1HB LYS 40 2HB LYS 40 7.088 5.145 7.751 311 2HB LYS 40 1HB LYS 40 7.333 4.799 6.036 312 1HG LYS 40 2HG LYS 40 6.729 7.000 5.389 313 2HG LYS 40 1HG LYS 40 6.082 7.372 6.984 314 1HD LYS 40 2HD LYS 40 8.129 7.888 7.816 315 2HD LYS 40 1HD LYS 40 8.881 6.495 7.035 316 1HE LYS 40 2HE LYS 40 9.622 7.760 5.301 317 2HE LYS 40 1HE LYS 40 8.035 8.527 5.100 318 1HZ LYS 40 1HZ LYS 40 9.840 10.054 5.887 319 2HZ LYS 40 2HZ LYS 40 9.878 9.166 7.337 320 3HZ LYS 40 3HZ LYS 40 8.469 10.001 6.884 321 H LYS 41 H LYS 41 5.588 3.441 4.707 322 HA LYS 41 HA LYS 41 5.065 5.171 2.504 323 1HB LYS 41 2HB LYS 41 4.862 2.183 2.832 324 2HB LYS 41 1HB LYS 41 5.082 3.032 1.326 325 1HG LYS 41 2HG LYS 41 7.004 2.319 3.401 326 2HG LYS 41 1HG LYS 41 7.243 2.515 1.675 327 1HD LYS 41 2HD LYS 41 6.766 4.925 3.401 328 2HD LYS 41 1HD LYS 41 8.328 4.212 3.268 329 1HE LYS 41 2HE LYS 41 8.439 4.583 0.918 330 2HE LYS 41 1HE LYS 41 6.706 4.909 0.841 331 1HZ LYS 41 1HZ LYS 41 8.060 6.960 0.868 332 2HZ LYS 41 2HZ LYS 41 8.653 6.523 2.399 333 3HZ LYS 41 3HZ LYS 41 7.001 6.856 2.188 334 H GLY 42 H GLY 42 3.427 2.402 3.844 335 1HA GLY 42 2HA GLY 42 1.022 2.915 4.503 336 2HA GLY 42 1HA GLY 42 0.826 3.378 2.833 337 H TRP 43 H TRP 43 2.239 0.645 4.603 338 HA TRP 43 HA TRP 43 0.516 -1.187 2.994 339 1HB TRP 43 2HB TRP 43 3.007 -2.177 4.273 340 2HB TRP 43 1HB TRP 43 2.174 -2.810 2.914 341 HD1 TRP 43 HD TRP 43 3.231 0.814 3.070 342 HE1 TRP 43 1HE TRP 43 4.979 1.217 1.397 343 HE3 TRP 43 3HE TRP 43 4.122 -3.934 1.396 344 HZ2 TRP 43 2HZ TRP 43 6.695 -0.058 -0.342 345 HZ3 TRP 43 3HZ TRP 43 5.878 -4.290 -0.283 346 HH2 TRP 43 HH TRP 43 7.170 -2.369 -1.195 347 H ILE 44 H ILE 44 2.524 -0.623 5.613 348 HA ILE 44 HA ILE 44 2.159 -0.632 7.854 349 HB ILE 44 HB ILE 44 -0.381 -2.132 7.383 350 1HG1 ILE 44 2HG1 ILE 44 -0.501 0.816 7.560 351 2HG1 ILE 44 1HG1 ILE 44 0.134 0.195 6.062 352 1HG2 ILE 44 1HG2 ILE 44 0.920 -0.510 9.535 353 2HG2 ILE 44 2HG2 ILE 44 -0.140 -1.920 9.683 354 3HG2 ILE 44 3HG2 ILE 44 -0.831 -0.325 9.372 355 1HD1 ILE 44 1HD1 ILE 44 -1.860 -0.669 5.415 356 2HD1 ILE 44 2HD1 ILE 44 -2.538 0.430 6.622 357 3HD1 ILE 44 3HD1 ILE 44 -2.226 -1.254 7.037 358 H VAL 45 H VAL 45 2.903 -2.916 5.983 359 HA VAL 45 HA VAL 45 2.561 -5.477 6.629 360 HB VAL 45 HB VAL 45 5.096 -5.645 6.525 361 1HG1 VAL 45 1HG1 VAL 45 3.772 -5.764 4.505 362 2HG1 VAL 45 2HG1 VAL 45 5.181 -4.748 4.198 363 3HG1 VAL 45 3HG1 VAL 45 3.608 -4.008 4.478 364 1HG2 VAL 45 1HG2 VAL 45 5.534 -3.478 7.647 365 2HG2 VAL 45 2HG2 VAL 45 4.843 -2.651 6.253 366 3HG2 VAL 45 3HG2 VAL 45 6.327 -3.586 6.075 367 H ASN 46 H ASN 46 1.771 -5.972 8.730 368 HA ASN 46 HA ASN 46 3.793 -6.320 10.818 369 1HB ASN 46 2HB ASN 46 3.397 -4.005 11.206 370 2HB ASN 46 1HB ASN 46 1.662 -4.178 10.936 371 1HD2 ASN 46 1HD2 ASN 46 1.254 -3.254 13.113 372 2HD2 ASN 46 2HD2 ASN 46 1.496 -4.200 14.501 373 H ILE 47 H ILE 47 3.202 -8.178 11.877 374 HA ILE 47 HA ILE 47 0.289 -8.907 11.927 375 HB ILE 47 HB ILE 47 1.811 -10.279 10.476 376 1HG1 ILE 47 2HG1 ILE 47 1.074 -12.083 12.736 377 2HG1 ILE 47 1HG1 ILE 47 -0.221 -11.113 12.032 378 1HG2 ILE 47 1HG2 ILE 47 3.106 -10.881 13.153 379 2HG2 ILE 47 2HG2 ILE 47 3.864 -10.089 11.772 380 3HG2 ILE 47 3HG2 ILE 47 3.414 -11.791 11.673 381 1HD1 ILE 47 1HD1 ILE 47 -0.280 -12.385 10.172 382 2HD1 ILE 47 2HD1 ILE 47 0.767 -13.523 11.023 383 3HD1 ILE 47 3HD1 ILE 47 1.471 -12.290 9.975 384 H THR 48 H THR 48 2.197 -7.460 13.929 385 HA THR 48 HA THR 48 1.906 -9.351 16.232 386 HB THR 48 HB THR 48 3.410 -6.802 16.473 387 HG1 THR 48 1HG THR 48 4.883 -7.275 15.016 388 1HG2 THR 48 1HG2 THR 48 3.262 -8.843 18.086 389 2HG2 THR 48 2HG2 THR 48 4.837 -8.102 17.805 390 3HG2 THR 48 3HG2 THR 48 4.406 -9.596 16.973 391 H SER 49 H SER 49 0.054 -7.112 14.829 392 HA SER 49 HA SER 49 -0.702 -5.727 17.377 393 1HB SER 49 2HB SER 49 -0.512 -5.016 14.524 394 2HB SER 49 1HB SER 49 -1.992 -4.456 15.298 395 HG SER 49 HG SER 49 0.490 -4.134 16.583 396 H GLN 50 H GLN 50 -1.559 -8.436 15.824 397 HA GLN 50 HA GLN 50 -4.498 -7.965 15.838 398 1HB GLN 50 2HB GLN 50 -4.563 -10.066 14.628 399 2HB GLN 50 1HB GLN 50 -3.265 -9.084 13.943 400 1HG GLN 50 2HG GLN 50 -1.592 -10.302 15.157 401 2HG GLN 50 1HG GLN 50 -2.813 -11.135 16.117 402 1HE2 GLN 50 1HE2 GLN 50 -4.650 -11.931 14.148 403 2HE2 GLN 50 2HE2 GLN 50 -3.896 -12.994 13.059 404 H VAL 51 H VAL 51 -4.961 -10.849 16.381 405 HA VAL 51 HA VAL 51 -5.663 -12.043 18.307 406 HB VAL 51 HB VAL 51 -3.153 -12.439 17.769 407 1HG1 VAL 51 1HG1 VAL 51 -2.990 -10.630 20.182 408 2HG1 VAL 51 2HG1 VAL 51 -2.074 -10.548 18.678 409 3HG1 VAL 51 3HG1 VAL 51 -1.742 -11.826 19.844 410 1HG2 VAL 51 1HG2 VAL 51 -4.889 -13.490 19.673 411 2HG2 VAL 51 2HG2 VAL 51 -3.415 -13.167 20.584 412 3HG2 VAL 51 3HG2 VAL 51 -3.362 -14.204 19.159 413 H GLN 52 H GLN 52 -4.957 -11.869 20.988 414 HA GLN 52 HA GLN 52 -5.006 -9.127 21.964 415 1HB GLN 52 2HB GLN 52 -7.331 -9.177 22.740 416 2HB GLN 52 1HB GLN 52 -7.284 -9.441 20.995 417 1HG GLN 52 2HG GLN 52 -8.168 -11.501 21.199 418 2HG GLN 52 1HG GLN 52 -7.012 -11.936 22.459 419 1HE2 GLN 52 1HE2 GLN 52 -9.262 -9.186 22.716 420 2HE2 GLN 52 2HE2 GLN 52 -10.184 -9.843 23.982 421 H THR 53 H THR 53 -3.199 -10.705 22.907 422 HA THR 53 HA THR 53 -3.894 -11.238 25.670 423 HB THR 53 HB THR 53 -5.018 -13.132 24.555 424 HG1 THR 53 1HG THR 53 -3.856 -14.794 25.668 425 1HG2 THR 53 1HG2 THR 53 -2.940 -14.750 23.663 426 2HG2 THR 53 2HG2 THR 53 -2.513 -13.150 23.056 427 3HG2 THR 53 3HG2 THR 53 -4.072 -13.863 22.642 428 H GLU 54 H GLU 54 -1.947 -12.887 26.500 429 HA GLU 54 HA GLU 54 0.592 -12.676 25.144 430 1HB GLU 54 2HB GLU 54 -0.258 -10.280 26.043 431 2HB GLU 54 1HB GLU 54 0.520 -10.866 27.514 432 1HG GLU 54 2HG GLU 54 2.476 -11.503 25.852 433 2HG GLU 54 1HG GLU 54 1.734 -10.263 24.840 434 H ARG 55 H ARG 55 -0.617 -14.814 26.414 435 HA ARG 55 HA ARG 55 1.139 -15.203 28.809 436 1HB ARG 55 2HB ARG 55 -1.515 -14.710 28.974 437 2HB ARG 55 1HB ARG 55 -1.560 -16.459 28.751 438 1HG ARG 55 2HG ARG 55 0.431 -15.436 30.704 439 2HG ARG 55 1HG ARG 55 -1.264 -15.307 31.175 440 1HD ARG 55 2HD ARG 55 -1.383 -17.812 30.333 441 2HD ARG 55 1HD ARG 55 0.364 -17.773 30.641 442 HE ARG 55 HE ARG 55 -1.093 -16.575 32.832 443 1HH1 ARG 55 1HH2 ARG 55 0.948 -19.056 31.992 444 2HH1 ARG 55 2HH2 ARG 55 0.380 -20.185 33.176 445 1HH2 ARG 55 1HH1 ARG 55 -2.343 -18.245 34.102 446 2HH2 ARG 55 2HH1 ARG 55 -1.484 -19.726 34.372 447 H ASN 56 H ASN 56 2.561 -16.726 27.978 448 HA ASN 56 HA ASN 56 1.606 -19.403 27.398 449 1HB ASN 56 2HB ASN 56 2.081 -17.425 25.234 450 2HB ASN 56 1HB ASN 56 2.765 -19.028 24.965 451 1HD2 ASN 56 1HD2 ASN 56 -0.065 -17.225 24.586 452 2HD2 ASN 56 2HD2 ASN 56 -1.168 -18.508 24.446 453 H ILE 57 H ILE 57 3.426 -18.761 29.256 454 HA ILE 57 HA ILE 57 6.168 -18.644 28.293 455 HB ILE 57 HB ILE 57 5.386 -17.742 30.451 456 1HG1 ILE 57 2HG1 ILE 57 7.127 -18.780 31.904 457 2HG1 ILE 57 1HG1 ILE 57 7.316 -20.070 30.716 458 1HG2 ILE 57 1HG2 ILE 57 5.095 -19.794 32.193 459 2HG2 ILE 57 2HG2 ILE 57 4.434 -20.540 30.738 460 3HG2 ILE 57 3HG2 ILE 57 3.736 -19.043 31.356 461 1HD1 ILE 57 1HD1 ILE 57 8.410 -18.719 29.218 462 2HD1 ILE 57 2HD1 ILE 57 8.836 -17.843 30.688 463 3HD1 ILE 57 3HD1 ILE 57 7.496 -17.286 29.686 464 H ASN 58 H ASN 58 3.937 -21.129 28.221 465 HA ASN 58 HA ASN 58 5.265 -23.424 29.188 466 1HB ASN 58 2HB ASN 58 2.929 -22.902 27.993 467 2HB ASN 58 1HB ASN 58 3.798 -23.513 26.584 468 1HD2 ASN 58 1HD2 ASN 58 1.585 -24.931 27.845 469 2HD2 ASN 58 2HD2 ASN 58 2.205 -26.383 28.468 470 H ARG 59 H ARG 59 6.020 -21.431 26.427 471 HA ARG 59 HA ARG 59 8.487 -22.921 25.937 472 1HB ARG 59 2HB ARG 59 7.747 -23.432 23.538 473 2HB ARG 59 1HB ARG 59 6.987 -24.403 24.801 474 1HG ARG 59 2HG ARG 59 5.043 -22.866 24.799 475 2HG ARG 59 1HG ARG 59 5.797 -21.934 23.504 476 1HD ARG 59 2HD ARG 59 5.916 -24.418 22.408 477 2HD ARG 59 1HD ARG 59 4.435 -24.569 23.376 478 HE ARG 59 HE ARG 59 4.031 -22.150 22.232 479 1HH1 ARG 59 1HH2 ARG 59 5.929 -22.570 20.057 480 2HH1 ARG 59 2HH2 ARG 59 4.998 -23.403 18.857 481 1HH2 ARG 59 1HH1 ARG 59 2.490 -24.328 21.068 482 2HH2 ARG 59 2HH1 ARG 59 3.049 -24.400 19.430 483 H ALA 60 H ALA 60 9.432 -21.994 23.698 484 HA ALA 60 HA ALA 60 9.294 -19.043 23.937 485 1HB ALA 60 1HB ALA 60 11.500 -19.758 23.838 486 2HB ALA 60 2HB ALA 60 11.201 -19.493 22.120 487 3HB ALA 60 3HB ALA 60 11.116 -21.123 22.788 488 1H MET 1 1HT MET 1 36.478 -18.965 -2.283 489 2H MET 1 2HT MET 1 35.711 -20.228 -3.118 490 3H MET 1 3HT MET 1 36.723 -20.572 -1.799 491 HA MET 1 HA MET 1 34.989 -20.464 -0.418 492 1HB MET 1 2HB MET 1 35.831 -17.945 -0.815 493 2HB MET 1 1HB MET 1 34.191 -17.773 -1.441 494 1HG MET 1 2HG MET 1 33.209 -18.313 0.617 495 2HG MET 1 1HG MET 1 34.657 -19.132 1.201 496 1HE MET 1 1HE MET 1 33.022 -15.214 1.160 497 2HE MET 1 2HE MET 1 33.141 -15.796 2.819 498 3HE MET 1 3HE MET 1 32.449 -16.835 1.576 499 H GLY 2 H GLY 2 34.154 -19.132 -3.615 500 1HA GLY 2 2HA GLY 2 32.102 -21.042 -4.123 501 2HA GLY 2 1HA GLY 2 31.349 -19.570 -3.507 502 HA PRO 3 HA PRO 3 33.015 -19.103 -7.997 503 1HB PRO 3 2HB PRO 3 31.376 -20.638 -9.545 504 2HB PRO 3 1HB PRO 3 32.900 -21.259 -8.880 505 1HG PRO 3 2HG PRO 3 30.107 -21.667 -7.923 506 2HG PRO 3 1HG PRO 3 31.453 -22.821 -8.004 507 1HD PRO 3 2HD PRO 3 30.672 -21.574 -5.705 508 2HD PRO 3 1HD PRO 3 32.335 -22.129 -6.004 509 H LEU 4 H LEU 4 29.724 -19.799 -6.944 510 HA LEU 4 HA LEU 4 28.791 -17.148 -7.926 511 1HB LEU 4 2HB LEU 4 28.489 -19.585 -9.308 512 2HB LEU 4 1HB LEU 4 26.935 -19.303 -8.538 513 HG LEU 4 HG LEU 4 27.163 -16.878 -9.447 514 1HD1 LEU 4 1HD1 LEU 4 28.463 -17.103 -11.733 515 2HD1 LEU 4 2HD1 LEU 4 29.345 -18.365 -10.873 516 3HD1 LEU 4 3HD1 LEU 4 29.341 -16.713 -10.255 517 1HD2 LEU 4 1HD2 LEU 4 25.937 -17.487 -11.372 518 2HD2 LEU 4 2HD2 LEU 4 25.670 -18.839 -10.271 519 3HD2 LEU 4 3HD2 LEU 4 26.842 -18.986 -11.581 520 H GLN 5 H GLN 5 26.045 -17.699 -7.454 521 HA GLN 5 HA GLN 5 25.958 -17.677 -4.527 522 1HB GLN 5 2HB GLN 5 24.491 -16.311 -6.018 523 2HB GLN 5 1HB GLN 5 23.771 -17.797 -6.638 524 1HG GLN 5 2HG GLN 5 23.007 -18.381 -4.367 525 2HG GLN 5 1HG GLN 5 23.725 -16.896 -3.743 526 1HE2 GLN 5 1HE2 GLN 5 20.888 -17.458 -3.566 527 2HE2 GLN 5 2HE2 GLN 5 20.076 -16.315 -4.524 528 H TYR 6 H TYR 6 27.131 -20.011 -5.043 529 HA TYR 6 HA TYR 6 25.927 -22.317 -5.827 530 1HB TYR 6 2HB TYR 6 28.105 -21.641 -4.367 531 2HB TYR 6 1HB TYR 6 27.132 -22.405 -3.109 532 HD1 TYR 6 1HD TYR 6 25.974 -24.684 -3.822 533 HD2 TYR 6 2HD TYR 6 29.439 -22.997 -5.720 534 HE1 TYR 6 1HE TYR 6 26.575 -26.918 -4.710 535 HE2 TYR 6 2HE TYR 6 30.041 -25.232 -6.605 536 HH TYR 6 HH TYR 6 27.891 -27.862 -6.573 537 H LYS 7 H LYS 7 24.174 -23.548 -5.220 538 HA LYS 7 HA LYS 7 23.057 -23.908 -2.674 539 1HB LYS 7 2HB LYS 7 22.649 -21.267 -3.742 540 2HB LYS 7 1HB LYS 7 21.087 -22.080 -3.625 541 1HG LYS 7 2HG LYS 7 23.089 -22.057 -1.355 542 2HG LYS 7 1HG LYS 7 21.831 -20.831 -1.531 543 1HD LYS 7 2HD LYS 7 20.698 -23.473 -1.851 544 2HD LYS 7 1HD LYS 7 21.569 -23.365 -0.321 545 1HE LYS 7 2HE LYS 7 20.330 -21.201 0.136 546 2HE LYS 7 1HE LYS 7 19.330 -21.558 -1.286 547 1HZ LYS 7 1HZ LYS 7 18.361 -23.318 -0.288 548 2HZ LYS 7 2HZ LYS 7 18.767 -22.489 1.139 549 3HZ LYS 7 3HZ LYS 7 19.755 -23.751 0.574 550 H ASP 8 H ASP 8 21.281 -22.758 -5.550 551 HA ASP 8 HA ASP 8 20.768 -25.345 -6.682 552 1HB ASP 8 2HB ASP 8 19.531 -24.950 -4.248 553 2HB ASP 8 1HB ASP 8 18.268 -24.474 -5.385 554 H LEU 9 H LEU 9 17.910 -24.658 -7.251 555 HA LEU 9 HA LEU 9 16.741 -23.486 -8.935 556 1HB LEU 9 2HB LEU 9 18.528 -21.215 -8.024 557 2HB LEU 9 1HB LEU 9 16.892 -21.097 -8.673 558 HG LEU 9 HG LEU 9 17.765 -22.174 -5.991 559 1HD1 LEU 9 1HD1 LEU 9 16.735 -19.718 -6.911 560 2HD1 LEU 9 2HD1 LEU 9 16.915 -20.233 -5.234 561 3HD1 LEU 9 3HD1 LEU 9 15.397 -20.516 -6.085 562 1HD2 LEU 9 1HD2 LEU 9 15.277 -22.756 -5.748 563 2HD2 LEU 9 2HD2 LEU 9 16.239 -23.844 -6.751 564 3HD2 LEU 9 3HD2 LEU 9 15.189 -22.646 -7.507 565 H LYS 10 H LYS 10 17.674 -24.596 -10.735 566 HA LYS 10 HA LYS 10 19.586 -22.941 -12.314 567 1HB LYS 10 2HB LYS 10 20.638 -25.278 -12.883 568 2HB LYS 10 1HB LYS 10 21.080 -24.485 -11.375 569 1HG LYS 10 2HG LYS 10 20.576 -26.736 -10.782 570 2HG LYS 10 1HG LYS 10 19.167 -25.805 -10.292 571 1HD LYS 10 2HD LYS 10 17.879 -27.113 -11.585 572 2HD LYS 10 1HD LYS 10 18.767 -26.552 -13.002 573 1HE LYS 10 2HE LYS 10 19.421 -28.724 -13.215 574 2HE LYS 10 1HE LYS 10 20.523 -28.371 -11.870 575 1HZ LYS 10 1HZ LYS 10 17.838 -29.593 -11.785 576 2HZ LYS 10 2HZ LYS 10 18.444 -28.767 -10.428 577 3HZ LYS 10 3HZ LYS 10 19.269 -30.118 -11.042 578 H ILE 11 H ILE 11 16.631 -24.211 -12.207 579 HA ILE 11 HA ILE 11 16.632 -25.043 -15.076 580 HB ILE 11 HB ILE 11 14.342 -26.080 -14.143 581 1HG1 ILE 11 2HG1 ILE 11 16.199 -26.243 -11.751 582 2HG1 ILE 11 1HG1 ILE 11 14.846 -25.116 -11.848 583 1HG2 ILE 11 1HG2 ILE 11 15.838 -27.516 -15.204 584 2HG2 ILE 11 2HG2 ILE 11 15.815 -28.148 -13.557 585 3HG2 ILE 11 3HG2 ILE 11 17.153 -27.132 -14.093 586 1HD1 ILE 11 1HD1 ILE 11 13.248 -26.814 -11.792 587 2HD1 ILE 11 2HD1 ILE 11 14.494 -27.470 -10.729 588 3HD1 ILE 11 3HD1 ILE 11 14.374 -28.029 -12.398 589 H ASP 12 H ASP 12 13.749 -24.497 -13.286 590 HA ASP 12 HA ASP 12 12.590 -22.743 -15.176 591 1HB ASP 12 2HB ASP 12 12.028 -23.088 -12.213 592 2HB ASP 12 1HB ASP 12 10.900 -22.436 -13.402 593 H ILE 13 H ILE 13 11.579 -20.645 -13.458 594 HA ILE 13 HA ILE 13 14.039 -18.946 -13.223 595 HB ILE 13 HB ILE 13 12.519 -17.095 -13.783 596 1HG1 ILE 13 2HG1 ILE 13 10.152 -18.278 -14.588 597 2HG1 ILE 13 1HG1 ILE 13 10.522 -19.137 -13.092 598 1HG2 ILE 13 1HG2 ILE 13 12.165 -17.654 -16.055 599 2HG2 ILE 13 2HG2 ILE 13 11.864 -19.351 -15.679 600 3HG2 ILE 13 3HG2 ILE 13 13.498 -18.698 -15.562 601 1HD1 ILE 13 1HD1 ILE 13 9.433 -16.530 -13.364 602 2HD1 ILE 13 2HD1 ILE 13 11.066 -16.337 -12.727 603 3HD1 ILE 13 3HD1 ILE 13 9.901 -17.350 -11.875 604 H LYS 14 H LYS 14 14.223 -17.607 -11.348 605 HA LYS 14 HA LYS 14 12.113 -17.617 -9.300 606 1HB LYS 14 2HB LYS 14 13.921 -19.738 -9.435 607 2HB LYS 14 1HB LYS 14 14.586 -18.695 -8.177 608 1HG LYS 14 2HG LYS 14 13.102 -19.831 -6.854 609 2HG LYS 14 1HG LYS 14 11.969 -18.635 -7.485 610 1HD LYS 14 2HD LYS 14 10.826 -20.196 -8.650 611 2HD LYS 14 1HD LYS 14 12.308 -20.895 -9.304 612 1HE LYS 14 2HE LYS 14 12.384 -22.525 -7.702 613 2HE LYS 14 1HE LYS 14 11.846 -21.421 -6.422 614 1HZ LYS 14 1HZ LYS 14 10.257 -23.262 -7.505 615 2HZ LYS 14 2HZ LYS 14 9.930 -21.957 -8.540 616 3HZ LYS 14 3HZ LYS 14 9.682 -21.801 -6.866 617 H THR 15 H THR 15 13.655 -15.580 -10.769 618 HA THR 15 HA THR 15 14.838 -14.187 -8.411 619 HB THR 15 HB THR 15 16.644 -13.427 -10.058 620 HG1 THR 15 1HG THR 15 16.201 -15.781 -11.440 621 1HG2 THR 15 1HG2 THR 15 17.057 -15.031 -8.248 622 2HG2 THR 15 2HG2 THR 15 17.952 -15.492 -9.698 623 3HG2 THR 15 3HG2 THR 15 16.469 -16.346 -9.266 624 H SER 16 H SER 16 13.367 -12.488 -8.244 625 HA SER 16 HA SER 16 11.967 -11.338 -10.455 626 1HB SER 16 2HB SER 16 12.574 -10.300 -7.672 627 2HB SER 16 1HB SER 16 11.338 -9.658 -8.737 628 HG SER 16 HG SER 16 11.449 -12.053 -7.338 629 HA PRO 17 HA PRO 17 12.684 -8.659 -8.115 630 1HB PRO 17 2HB PRO 17 14.012 -6.346 -7.841 631 2HB PRO 17 1HB PRO 17 14.723 -7.876 -7.347 632 1HG PRO 17 2HG PRO 17 15.542 -6.131 -9.452 633 2HG PRO 17 1HG PRO 17 16.280 -7.655 -8.946 634 1HD PRO 17 2HD PRO 17 14.324 -7.154 -11.101 635 2HD PRO 17 1HD PRO 17 15.571 -8.383 -10.959 636 HA PRO 18 HA PRO 18 11.469 -5.422 -11.444 637 1HB PRO 18 2HB PRO 18 9.328 -6.624 -12.682 638 2HB PRO 18 1HB PRO 18 11.021 -6.706 -13.242 639 1HG PRO 18 2HG PRO 18 9.487 -8.714 -11.662 640 2HG PRO 18 1HG PRO 18 10.568 -8.943 -13.042 641 1HD PRO 18 2HD PRO 18 11.404 -9.365 -10.527 642 2HD PRO 18 1HD PRO 18 12.481 -8.710 -11.776 643 HA PRO 19 HA PRO 19 7.475 -5.317 -8.878 644 1HB PRO 19 2HB PRO 19 7.315 -7.021 -6.742 645 2HB PRO 19 1HB PRO 19 6.633 -7.426 -8.330 646 1HG PRO 19 2HG PRO 19 9.156 -8.344 -7.066 647 2HG PRO 19 1HG PRO 19 8.034 -9.217 -8.119 648 1HD PRO 19 2HD PRO 19 10.417 -8.152 -8.945 649 2HD PRO 19 1HD PRO 19 9.048 -8.484 -10.011 650 H GLU 20 H GLU 20 9.310 -3.697 -8.605 651 HA GLU 20 HA GLU 20 11.283 -3.678 -6.619 652 1HB GLU 20 2HB GLU 20 10.916 -1.129 -6.845 653 2HB GLU 20 1HB GLU 20 11.305 -2.041 -8.302 654 1HG GLU 20 2HG GLU 20 9.328 -1.500 -9.248 655 2HG GLU 20 1HG GLU 20 8.440 -2.021 -7.814 656 H CYS 21 H CYS 21 9.360 -4.806 -4.999 657 HA CYS 21 HA CYS 21 8.111 -2.657 -3.420 658 1HB CYS 21 2HB CYS 21 7.938 -4.966 -1.866 659 2HB CYS 21 1HB CYS 21 6.696 -4.340 -2.930 660 HG CYS 21 HG CYS 21 6.951 -6.496 -4.120 661 H ILE 22 H ILE 22 10.990 -4.670 -3.306 662 HA ILE 22 HA ILE 22 11.744 -3.831 -0.591 663 HB ILE 22 HB ILE 22 13.396 -5.030 -2.834 664 1HG1 ILE 22 2HG1 ILE 22 12.265 -6.918 -2.547 665 2HG1 ILE 22 1HG1 ILE 22 12.902 -7.014 -0.918 666 1HG2 ILE 22 1HG2 ILE 22 14.560 -5.926 -0.632 667 2HG2 ILE 22 2HG2 ILE 22 13.835 -4.480 0.060 668 3HG2 ILE 22 3HG2 ILE 22 14.954 -4.342 -1.297 669 1HD1 ILE 22 1HD1 ILE 22 10.593 -7.157 -0.548 670 2HD1 ILE 22 2HD1 ILE 22 10.212 -6.016 -1.836 671 3HD1 ILE 22 3HD1 ILE 22 10.893 -5.438 -0.316 672 H ASN 23 H ASN 23 13.101 -3.233 -3.849 673 HA ASN 23 HA ASN 23 14.931 -1.227 -2.918 674 1HB ASN 23 2HB ASN 23 15.197 -0.719 -5.284 675 2HB ASN 23 1HB ASN 23 15.085 -2.462 -5.074 676 1HD2 ASN 23 1HD2 ASN 23 14.354 -0.676 -7.427 677 2HD2 ASN 23 2HD2 ASN 23 12.741 -1.062 -7.774 678 H ASP 24 H ASP 24 11.710 -0.869 -4.496 679 HA ASP 24 HA ASP 24 11.595 1.978 -4.359 680 1HB ASP 24 2HB ASP 24 10.039 0.243 -5.488 681 2HB ASP 24 1HB ASP 24 9.294 0.057 -3.900 682 H LEU 25 H LEU 25 11.419 -0.553 -2.033 683 HA LEU 25 HA LEU 25 10.220 1.013 0.098 684 1HB LEU 25 2HB LEU 25 9.796 -1.216 0.382 685 2HB LEU 25 1HB LEU 25 11.271 -1.712 -0.392 686 HG LEU 25 HG LEU 25 12.157 -0.433 1.938 687 1HD1 LEU 25 1HD1 LEU 25 10.666 -0.583 3.546 688 2HD1 LEU 25 2HD1 LEU 25 10.452 -2.306 3.225 689 3HD1 LEU 25 3HD1 LEU 25 9.473 -1.119 2.360 690 1HD2 LEU 25 1HD2 LEU 25 12.588 -2.776 0.670 691 2HD2 LEU 25 2HD2 LEU 25 11.721 -3.344 2.098 692 3HD2 LEU 25 3HD2 LEU 25 13.206 -2.404 2.278 693 H LEU 26 H LEU 26 13.210 -0.703 -0.290 694 HA LEU 26 HA LEU 26 14.546 0.618 1.786 695 1HB LEU 26 2HB LEU 26 15.053 -1.611 1.227 696 2HB LEU 26 1HB LEU 26 15.238 -1.214 -0.469 697 HG LEU 26 HG LEU 26 17.172 0.158 0.064 698 1HD1 LEU 26 1HD1 LEU 26 17.293 0.868 2.208 699 2HD1 LEU 26 2HD1 LEU 26 17.870 -0.749 2.583 700 3HD1 LEU 26 3HD1 LEU 26 16.161 -0.377 2.743 701 1HD2 LEU 26 1HD2 LEU 26 18.424 -1.706 -0.248 702 2HD2 LEU 26 2HD2 LEU 26 16.962 -2.647 0.051 703 3HD2 LEU 26 3HD2 LEU 26 18.053 -2.273 1.377 704 H GLN 27 H GLN 27 13.772 1.734 -1.251 705 HA GLN 27 HA GLN 27 16.177 3.126 -2.008 706 1HB GLN 27 2HB GLN 27 13.261 3.083 -2.624 707 2HB GLN 27 1HB GLN 27 14.184 4.492 -3.116 708 1HG GLN 27 2HG GLN 27 15.617 2.042 -3.719 709 2HG GLN 27 1HG GLN 27 14.026 2.053 -4.476 710 1HE2 GLN 27 1HE2 GLN 27 13.953 5.004 -4.753 711 2HE2 GLN 27 2HE2 GLN 27 15.043 5.393 -5.991 712 H ALA 28 H ALA 28 13.974 3.385 0.576 713 HA ALA 28 HA ALA 28 14.687 6.241 1.003 714 1HB ALA 28 1HB ALA 28 12.482 6.680 1.174 715 2HB ALA 28 2HB ALA 28 12.226 5.311 2.260 716 3HB ALA 28 3HB ALA 28 12.220 5.066 0.509 717 H VAL 29 H VAL 29 14.781 3.004 2.472 718 HA VAL 29 HA VAL 29 15.112 4.387 5.106 719 HB VAL 29 HB VAL 29 13.448 2.804 5.425 720 1HG1 VAL 29 1HG1 VAL 29 14.899 0.953 3.524 721 2HG1 VAL 29 2HG1 VAL 29 13.493 1.942 3.121 722 3HG1 VAL 29 3HG1 VAL 29 13.345 0.636 4.280 723 1HG2 VAL 29 1HG2 VAL 29 14.397 0.838 6.545 724 2HG2 VAL 29 2HG2 VAL 29 15.331 2.276 6.951 725 3HG2 VAL 29 3HG2 VAL 29 15.952 1.129 5.767 726 H ASP 30 H ASP 30 17.024 3.705 2.697 727 HA ASP 30 HA ASP 30 19.322 3.089 2.553 728 1HB ASP 30 2HB ASP 30 18.696 4.503 5.099 729 2HB ASP 30 1HB ASP 30 20.313 3.857 4.920 730 H SER 31 H SER 31 19.134 0.696 2.538 731 HA SER 31 HA SER 31 20.152 -0.446 5.035 732 1HB SER 31 2HB SER 31 17.533 0.203 4.851 733 2HB SER 31 1HB SER 31 17.449 -1.420 4.235 734 HG SER 31 HG SER 31 18.358 -0.440 6.717 735 H GLN 32 H GLN 32 21.564 -0.746 2.938 736 HA GLN 32 HA GLN 32 21.040 -2.449 0.812 737 1HB GLN 32 2HB GLN 32 23.190 -1.196 1.942 738 2HB GLN 32 1HB GLN 32 23.594 -2.885 2.239 739 1HG GLN 32 2HG GLN 32 22.599 -2.727 -0.416 740 2HG GLN 32 1HG GLN 32 23.764 -1.417 -0.223 741 1HE2 GLN 32 1HE2 GLN 32 23.400 -4.848 -0.536 742 2HE2 GLN 32 2HE2 GLN 32 25.037 -5.241 -0.382 743 H GLU 33 H GLU 33 21.199 -3.308 4.199 744 HA GLU 33 HA GLU 33 21.780 -6.121 3.872 745 1HB GLU 33 2HB GLU 33 20.049 -4.877 6.022 746 2HB GLU 33 1HB GLU 33 21.169 -6.231 6.170 747 1HG GLU 33 2HG GLU 33 22.923 -4.372 5.376 748 2HG GLU 33 1HG GLU 33 21.739 -3.302 6.126 749 H VAL 34 H VAL 34 18.899 -4.133 3.621 750 HA VAL 34 HA VAL 34 17.066 -6.396 3.554 751 HB VAL 34 HB VAL 34 17.029 -3.456 3.563 752 1HG1 VAL 34 1HG1 VAL 34 15.010 -3.095 2.324 753 2HG1 VAL 34 2HG1 VAL 34 14.788 -4.820 2.047 754 3HG1 VAL 34 3HG1 VAL 34 16.103 -3.962 1.245 755 1HG2 VAL 34 1HG2 VAL 34 14.922 -5.516 4.288 756 2HG2 VAL 34 2HG2 VAL 34 15.002 -3.856 4.855 757 3HG2 VAL 34 3HG2 VAL 34 16.228 -5.013 5.360 758 H ARG 35 H ARG 35 18.694 -4.319 1.193 759 HA ARG 35 HA ARG 35 17.453 -5.617 -1.122 760 1HB ARG 35 2HB ARG 35 19.179 -3.427 -0.424 761 2HB ARG 35 1HB ARG 35 19.901 -4.355 -1.735 762 1HG ARG 35 2HG ARG 35 17.316 -4.227 -2.574 763 2HG ARG 35 1HG ARG 35 17.460 -2.685 -1.728 764 1HD ARG 35 2HD ARG 35 19.408 -2.073 -3.040 765 2HD ARG 35 1HD ARG 35 19.427 -3.675 -3.801 766 HE ARG 35 HE ARG 35 17.333 -3.106 -4.933 767 1HH1 ARG 35 1HH1 ARG 35 17.089 -0.969 -2.516 768 2HH1 ARG 35 2HH1 ARG 35 16.939 0.463 -3.479 769 1HH2 ARG 35 1HH2 ARG 35 17.878 -1.101 -6.428 770 2HH2 ARG 35 2HH2 ARG 35 17.385 0.388 -5.693 771 H ASP 36 H ASP 36 20.580 -5.677 0.585 772 HA ASP 36 HA ASP 36 21.942 -7.616 -0.971 773 1HB ASP 36 2HB ASP 36 22.840 -6.204 0.924 774 2HB ASP 36 1HB ASP 36 21.941 -7.221 2.046 775 H TYR 37 H TYR 37 19.383 -7.729 1.308 776 HA TYR 37 HA TYR 37 19.300 -10.595 1.735 777 1HB TYR 37 2HB TYR 37 18.489 -9.342 3.490 778 2HB TYR 37 1HB TYR 37 17.803 -8.107 2.447 779 HD1 TYR 37 1HD TYR 37 17.194 -11.247 4.173 780 HD2 TYR 37 2HD TYR 37 15.773 -8.596 1.118 781 HE1 TYR 37 1HE TYR 37 15.022 -12.446 4.143 782 HE2 TYR 37 2HE TYR 37 13.622 -9.781 1.061 783 HH TYR 37 HH TYR 37 12.519 -11.714 3.400 784 H CYS 38 H CYS 38 17.345 -8.136 0.082 785 HA CYS 38 HA CYS 38 15.454 -9.733 -1.204 786 1HB CYS 38 2HB CYS 38 15.766 -7.203 -1.018 787 2HB CYS 38 1HB CYS 38 16.881 -7.342 -2.357 788 HG CYS 38 HG CYS 38 14.337 -6.839 -3.131 789 H GLU 39 H GLU 39 18.659 -8.734 -2.468 790 HA GLU 39 HA GLU 39 18.486 -10.462 -4.805 791 1HB GLU 39 2HB GLU 39 20.950 -9.849 -4.893 792 2HB GLU 39 1HB GLU 39 19.886 -8.445 -4.752 793 1HG GLU 39 2HG GLU 39 20.937 -7.859 -2.850 794 2HG GLU 39 1HG GLU 39 20.399 -9.376 -2.119 795 H LYS 40 H LYS 40 18.982 -10.988 -1.465 796 HA LYS 40 HA LYS 40 20.706 -13.347 -1.842 797 1HB LYS 40 2HB LYS 40 20.935 -11.971 0.208 798 2HB LYS 40 1HB LYS 40 19.222 -12.212 0.565 799 1HG LYS 40 2HG LYS 40 19.503 -14.522 0.964 800 2HG LYS 40 1HG LYS 40 21.112 -14.534 0.246 801 1HD LYS 40 2HD LYS 40 22.091 -13.819 2.164 802 2HD LYS 40 1HD LYS 40 20.825 -12.623 2.453 803 1HE LYS 40 2HE LYS 40 19.716 -14.004 3.877 804 2HE LYS 40 1HE LYS 40 19.873 -15.383 2.771 805 1HZ LYS 40 1HZ LYS 40 21.180 -15.723 4.789 806 2HZ LYS 40 2HZ LYS 40 22.044 -14.291 4.484 807 3HZ LYS 40 3HZ LYS 40 22.183 -15.614 3.426 808 H LYS 41 H LYS 41 17.485 -12.280 -1.329 809 HA LYS 41 HA LYS 41 16.155 -14.748 -0.812 810 1HB LYS 41 2HB LYS 41 15.265 -12.207 -2.168 811 2HB LYS 41 1HB LYS 41 14.222 -13.382 -1.412 812 1HG LYS 41 2HG LYS 41 15.831 -11.243 -0.250 813 2HG LYS 41 1HG LYS 41 14.320 -11.938 0.308 814 1HD LYS 41 2HD LYS 41 16.858 -13.527 0.516 815 2HD LYS 41 1HD LYS 41 16.449 -12.335 1.691 816 1HE LYS 41 2HE LYS 41 14.434 -13.449 2.306 817 2HE LYS 41 1HE LYS 41 14.502 -14.465 0.863 818 1HZ LYS 41 1HZ LYS 41 15.343 -15.708 2.726 819 2HZ LYS 41 2HZ LYS 41 16.435 -14.467 3.119 820 3HZ LYS 41 3HZ LYS 41 16.630 -15.354 1.682 821 H GLY 42 H GLY 42 16.281 -12.600 -3.549 822 1HA GLY 42 2HA GLY 42 17.097 -13.756 -5.664 823 2HA GLY 42 1HA GLY 42 15.743 -14.827 -5.411 824 H TRP 43 H TRP 43 16.316 -11.325 -5.416 825 HA TRP 43 HA TRP 43 14.120 -11.049 -7.414 826 1HB TRP 43 2HB TRP 43 14.857 -8.755 -5.686 827 2HB TRP 43 1HB TRP 43 13.371 -9.071 -6.478 828 HD1 TRP 43 HD TRP 43 14.952 -11.619 -4.186 829 HE1 TRP 43 1HE TRP 43 13.564 -11.859 -2.176 830 HE3 TRP 43 3HE TRP 43 11.535 -7.882 -4.884 831 HZ2 TRP 43 2HZ TRP 43 11.449 -10.729 -0.815 832 HZ3 TRP 43 3HZ TRP 43 9.838 -7.481 -3.150 833 HH2 TRP 43 HH TRP 43 9.753 -8.904 -1.109 834 H ILE 44 H ILE 44 16.739 -9.772 -5.753 835 HA ILE 44 HA ILE 44 18.783 -9.054 -6.442 836 HB ILE 44 HB ILE 44 17.753 -8.997 -9.248 837 1HG1 ILE 44 2HG1 ILE 44 19.130 -11.435 -8.298 838 2HG1 ILE 44 1HG1 ILE 44 17.495 -11.235 -7.723 839 1HG2 ILE 44 1HG2 ILE 44 20.381 -9.024 -7.818 840 2HG2 ILE 44 2HG2 ILE 44 19.933 -8.207 -9.323 841 3HG2 ILE 44 3HG2 ILE 44 20.304 -9.932 -9.333 842 1HD1 ILE 44 1HD1 ILE 44 16.581 -11.522 -9.787 843 2HD1 ILE 44 2HD1 ILE 44 18.119 -12.310 -10.151 844 3HD1 ILE 44 3HD1 ILE 44 17.871 -10.618 -10.581 845 H VAL 45 H VAL 45 16.114 -7.575 -6.337 846 HA VAL 45 HA VAL 45 15.577 -5.373 -7.668 847 HB VAL 45 HB VAL 45 15.532 -4.194 -5.401 848 1HG1 VAL 45 1HG1 VAL 45 13.611 -5.394 -6.289 849 2HG1 VAL 45 2HG1 VAL 45 13.765 -5.716 -4.559 850 3HG1 VAL 45 3HG1 VAL 45 14.294 -6.923 -5.733 851 1HG2 VAL 45 1HG2 VAL 45 17.443 -5.400 -4.416 852 2HG2 VAL 45 2HG2 VAL 45 16.530 -6.905 -4.523 853 3HG2 VAL 45 3HG2 VAL 45 15.983 -5.616 -3.453 854 H ASN 46 H ASN 46 17.235 -4.607 -9.050 855 HA ASN 46 HA ASN 46 18.819 -2.415 -8.141 856 1HB ASN 46 2HB ASN 46 20.152 -3.971 -6.933 857 2HB ASN 46 1HB ASN 46 20.101 -5.150 -8.244 858 1HD2 ASN 46 1HD2 ASN 46 22.546 -5.094 -8.101 859 2HD2 ASN 46 2HD2 ASN 46 23.380 -3.843 -8.888 860 H ILE 47 H ILE 47 17.769 -1.768 -10.216 861 HA ILE 47 HA ILE 47 19.129 -2.909 -12.632 862 HB ILE 47 HB ILE 47 16.529 -2.920 -12.138 863 1HG1 ILE 47 2HG1 ILE 47 17.654 -3.656 -14.236 864 2HG1 ILE 47 1HG1 ILE 47 16.109 -2.864 -14.543 865 1HG2 ILE 47 1HG2 ILE 47 16.872 -0.184 -13.399 866 2HG2 ILE 47 2HG2 ILE 47 16.488 -0.442 -11.696 867 3HG2 ILE 47 3HG2 ILE 47 15.357 -0.964 -12.945 868 1HD1 ILE 47 1HD1 ILE 47 18.784 -2.070 -15.379 869 2HD1 ILE 47 2HD1 ILE 47 17.957 -0.770 -14.522 870 3HD1 ILE 47 3HD1 ILE 47 17.219 -1.495 -15.950 871 H THR 48 H THR 48 20.618 -1.556 -13.564 872 HA THR 48 HA THR 48 20.148 1.385 -13.473 873 HB THR 48 HB THR 48 21.490 0.922 -11.520 874 HG1 THR 48 1HG THR 48 23.548 1.852 -12.267 875 1HG2 THR 48 1HG2 THR 48 23.423 -0.472 -11.525 876 2HG2 THR 48 2HG2 THR 48 23.463 -0.531 -13.286 877 3HG2 THR 48 3HG2 THR 48 22.187 -1.369 -12.405 878 H SER 49 H SER 49 19.725 0.778 -15.826 879 HA SER 49 HA SER 49 22.017 -0.098 -17.437 880 1HB SER 49 2HB SER 49 19.729 -0.713 -18.024 881 2HB SER 49 1HB SER 49 19.255 0.982 -18.082 882 HG SER 49 HG SER 49 21.368 -0.015 -19.666 883 H GLN 50 H GLN 50 21.176 1.869 -19.597 884 HA GLN 50 HA GLN 50 22.135 3.878 -20.426 885 1HB GLN 50 2HB GLN 50 20.274 4.266 -18.430 886 2HB GLN 50 1HB GLN 50 21.639 5.221 -17.848 887 1HG GLN 50 2HG GLN 50 21.490 6.728 -19.562 888 2HG GLN 50 1HG GLN 50 20.995 5.503 -20.731 889 1HE2 GLN 50 1HE2 GLN 50 19.836 7.977 -18.594 890 2HE2 GLN 50 2HE2 GLN 50 18.178 7.696 -18.823 891 H VAL 51 H VAL 51 23.253 5.922 -18.523 892 HA VAL 51 HA VAL 51 25.396 6.517 -17.729 893 HB VAL 51 HB VAL 51 24.787 3.765 -16.670 894 1HG1 VAL 51 1HG1 VAL 51 27.290 5.395 -16.135 895 2HG1 VAL 51 2HG1 VAL 51 27.216 3.779 -16.838 896 3HG1 VAL 51 3HG1 VAL 51 26.768 4.029 -15.150 897 1HG2 VAL 51 1HG2 VAL 51 24.096 4.896 -14.796 898 2HG2 VAL 51 2HG2 VAL 51 23.883 6.205 -15.957 899 3HG2 VAL 51 3HG2 VAL 51 25.336 6.138 -14.961 900 H GLN 52 H GLN 52 27.778 5.879 -17.873 901 HA GLN 52 HA GLN 52 28.470 5.106 -20.541 902 1HB GLN 52 2HB GLN 52 30.771 5.191 -19.606 903 2HB GLN 52 1HB GLN 52 29.807 6.574 -19.087 904 1HG GLN 52 2HG GLN 52 29.198 4.893 -17.095 905 2HG GLN 52 1HG GLN 52 30.785 4.247 -17.508 906 1HE2 GLN 52 1HE2 GLN 52 29.178 7.396 -16.795 907 2HE2 GLN 52 2HE2 GLN 52 30.538 8.089 -16.055 908 H THR 53 H THR 53 29.530 3.158 -21.260 909 HA THR 53 HA THR 53 29.174 0.796 -19.442 910 HB THR 53 HB THR 53 28.858 -0.288 -21.864 911 HG1 THR 53 1HG THR 53 29.256 1.860 -22.779 912 1HG2 THR 53 1HG2 THR 53 26.375 1.024 -21.349 913 2HG2 THR 53 2HG2 THR 53 27.143 0.677 -19.799 914 3HG2 THR 53 3HG2 THR 53 26.838 -0.628 -20.946 915 H GLU 54 H GLU 54 31.246 0.167 -18.913 916 HA GLU 54 HA GLU 54 33.447 -0.644 -19.258 917 1HB GLU 54 2HB GLU 54 31.994 -1.440 -21.391 918 2HB GLU 54 1HB GLU 54 33.136 -0.375 -22.211 919 1HG GLU 54 2HG GLU 54 34.875 -1.795 -21.884 920 2HG GLU 54 1HG GLU 54 34.385 -2.155 -20.227 921 H ARG 55 H ARG 55 35.309 0.573 -19.123 922 HA ARG 55 HA ARG 55 35.401 3.148 -20.665 923 1HB ARG 55 2HB ARG 55 36.672 2.555 -17.981 924 2HB ARG 55 1HB ARG 55 36.399 4.134 -18.719 925 1HG ARG 55 2HG ARG 55 33.949 3.761 -18.572 926 2HG ARG 55 1HG ARG 55 34.247 2.215 -17.775 927 1HD ARG 55 2HD ARG 55 35.755 3.806 -16.192 928 2HD ARG 55 1HD ARG 55 34.518 4.975 -16.694 929 HE ARG 55 HE ARG 55 33.301 2.454 -15.996 930 1HH1 ARG 55 1HH2 ARG 55 33.635 5.674 -15.143 931 2HH1 ARG 55 2HH2 ARG 55 33.267 5.457 -13.464 932 1HH2 ARG 55 1HH1 ARG 55 33.306 1.994 -13.628 933 2HH2 ARG 55 2HH1 ARG 55 33.080 3.375 -12.607 934 H ASN 56 H ASN 56 37.893 3.926 -20.538 935 HA ASN 56 HA ASN 56 39.724 1.617 -20.994 936 1HB ASN 56 2HB ASN 56 39.102 3.866 -22.936 937 2HB ASN 56 1HB ASN 56 40.391 2.683 -23.162 938 1HD2 ASN 56 1HD2 ASN 56 36.828 2.885 -22.701 939 2HD2 ASN 56 2HD2 ASN 56 36.485 1.470 -23.574 940 H ILE 57 H ILE 57 41.188 2.158 -19.376 941 HA ILE 57 HA ILE 57 42.924 3.372 -18.325 942 HB ILE 57 HB ILE 57 42.687 5.205 -20.721 943 1HG1 ILE 57 2HG1 ILE 57 43.935 2.447 -20.522 944 2HG1 ILE 57 1HG1 ILE 57 42.635 2.948 -21.604 945 1HG2 ILE 57 1HG2 ILE 57 44.312 5.969 -19.143 946 2HG2 ILE 57 2HG2 ILE 57 45.223 5.152 -20.412 947 3HG2 ILE 57 3HG2 ILE 57 44.923 4.337 -18.877 948 1HD1 ILE 57 1HD1 ILE 57 44.331 4.706 -22.483 949 2HD1 ILE 57 2HD1 ILE 57 44.548 3.027 -22.980 950 3HD1 ILE 57 3HD1 ILE 57 45.551 3.703 -21.698 951 H ASN 58 H ASN 58 41.362 4.070 -16.659 952 HA ASN 58 HA ASN 58 40.450 6.910 -16.988 953 1HB ASN 58 2HB ASN 58 38.755 6.248 -15.274 954 2HB ASN 58 1HB ASN 58 38.659 5.257 -16.730 955 1HD2 ASN 58 1HD2 ASN 58 37.895 4.533 -13.894 956 2HD2 ASN 58 2HD2 ASN 58 38.802 3.143 -13.534 957 H ARG 59 H ARG 59 42.580 7.683 -16.236 958 HA ARG 59 HA ARG 59 43.306 6.986 -13.434 959 1HB ARG 59 2HB ARG 59 44.655 8.481 -15.699 960 2HB ARG 59 1HB ARG 59 45.363 8.332 -14.090 961 1HG ARG 59 2HG ARG 59 46.230 6.364 -14.763 962 2HG ARG 59 1HG ARG 59 44.585 5.728 -14.758 963 1HD ARG 59 2HD ARG 59 44.791 5.423 -16.997 964 2HD ARG 59 1HD ARG 59 44.829 7.190 -17.169 965 HE ARG 59 HE ARG 59 47.302 5.584 -16.636 966 1HH1 ARG 59 1HH2 ARG 59 46.842 8.720 -16.657 967 2HH1 ARG 59 2HH2 ARG 59 47.640 9.099 -18.147 968 1HH2 ARG 59 1HH1 ARG 59 47.776 5.801 -19.217 969 2HH2 ARG 59 2HH1 ARG 59 48.168 7.446 -19.599 970 H ALA 60 H ALA 60 43.797 8.783 -11.933 971 HA ALA 60 HA ALA 60 43.104 11.519 -12.460 972 1HB ALA 60 1HB ALA 60 40.855 11.017 -12.666 973 2HB ALA 60 2HB ALA 60 40.934 11.194 -10.913 974 3HB ALA 60 3HB ALA 60 40.978 9.587 -11.639 Start of MODEL 9 1 1H MET 1 1HT MET 1 -34.043 -13.314 3.331 2 2H MET 1 2HT MET 1 -34.640 -11.971 2.477 3 3H MET 1 3HT MET 1 -33.383 -11.775 3.604 4 HA MET 1 HA MET 1 -33.184 -13.322 1.066 5 1HB MET 1 2HB MET 1 -33.053 -10.518 1.767 6 2HB MET 1 1HB MET 1 -31.479 -11.064 1.184 7 1HG MET 1 2HG MET 1 -32.451 -10.603 -0.851 8 2HG MET 1 1HG MET 1 -33.030 -12.257 -0.655 9 1HE MET 1 1HE MET 1 -35.110 -11.425 -2.506 10 2HE MET 1 2HE MET 1 -34.030 -10.035 -2.451 11 3HE MET 1 3HE MET 1 -35.766 -9.800 -2.264 12 H GLY 2 H GLY 2 -32.486 -14.537 3.497 13 1HA GLY 2 2HA GLY 2 -30.428 -15.856 3.819 14 2HA GLY 2 1HA GLY 2 -29.502 -14.427 3.356 15 HA PRO 3 HA PRO 3 -29.749 -14.559 7.977 16 1HB PRO 3 2HB PRO 3 -27.065 -14.296 8.400 17 2HB PRO 3 1HB PRO 3 -27.829 -15.877 8.134 18 1HG PRO 3 2HG PRO 3 -26.318 -14.158 6.226 19 2HG PRO 3 1HG PRO 3 -26.285 -15.921 6.429 20 1HD PRO 3 2HD PRO 3 -27.668 -14.670 4.442 21 2HD PRO 3 1HD PRO 3 -28.150 -16.237 5.131 22 H LEU 4 H LEU 4 -27.703 -12.681 5.790 23 HA LEU 4 HA LEU 4 -28.676 -10.133 6.906 24 1HB LEU 4 2HB LEU 4 -26.475 -11.421 8.010 25 2HB LEU 4 1HB LEU 4 -25.744 -10.291 6.875 26 HG LEU 4 HG LEU 4 -27.825 -8.878 8.179 27 1HD1 LEU 4 1HD1 LEU 4 -27.867 -10.478 9.976 28 2HD1 LEU 4 2HD1 LEU 4 -26.969 -9.076 10.558 29 3HD1 LEU 4 3HD1 LEU 4 -26.106 -10.527 10.049 30 1HD2 LEU 4 1HD2 LEU 4 -26.128 -7.416 7.905 31 2HD2 LEU 4 2HD2 LEU 4 -24.966 -8.730 7.707 32 3HD2 LEU 4 3HD2 LEU 4 -25.361 -8.136 9.321 33 H GLN 5 H GLN 5 -26.627 -8.529 5.776 34 HA GLN 5 HA GLN 5 -27.338 -8.470 3.002 35 1HB GLN 5 2HB GLN 5 -25.377 -7.193 4.847 36 2HB GLN 5 1HB GLN 5 -25.017 -7.082 3.124 37 1HG GLN 5 2HG GLN 5 -26.830 -5.744 2.690 38 2HG GLN 5 1HG GLN 5 -27.819 -6.504 3.937 39 1HE2 GLN 5 1HE2 GLN 5 -27.815 -5.565 6.041 40 2HE2 GLN 5 2HE2 GLN 5 -26.933 -4.167 6.433 41 H TYR 6 H TYR 6 -25.042 -10.326 4.788 42 HA TYR 6 HA TYR 6 -23.273 -11.751 4.119 43 1HB TYR 6 2HB TYR 6 -25.564 -12.712 3.411 44 2HB TYR 6 1HB TYR 6 -25.120 -12.224 1.774 45 HD1 TYR 6 1HD TYR 6 -22.998 -13.119 0.746 46 HD2 TYR 6 2HD TYR 6 -24.607 -14.652 4.425 47 HE1 TYR 6 1HE TYR 6 -21.601 -15.154 0.508 48 HE2 TYR 6 2HE TYR 6 -23.208 -16.686 4.186 49 HH TYR 6 HH TYR 6 -22.116 -17.948 2.233 50 H LYS 7 H LYS 7 -21.767 -9.960 3.541 51 HA LYS 7 HA LYS 7 -20.842 -10.174 0.789 52 1HB LYS 7 2HB LYS 7 -22.761 -8.675 0.498 53 2HB LYS 7 1HB LYS 7 -22.150 -7.612 1.765 54 1HG LYS 7 2HG LYS 7 -20.006 -7.454 0.324 55 2HG LYS 7 1HG LYS 7 -20.997 -8.115 -0.977 56 1HD LYS 7 2HD LYS 7 -21.708 -5.641 0.625 57 2HD LYS 7 1HD LYS 7 -20.947 -5.615 -0.966 58 1HE LYS 7 2HE LYS 7 -22.930 -7.039 -1.775 59 2HE LYS 7 1HE LYS 7 -23.717 -6.600 -0.246 60 1HZ LYS 7 1HZ LYS 7 -23.186 -4.254 -0.759 61 2HZ LYS 7 2HZ LYS 7 -24.261 -4.947 -1.876 62 3HZ LYS 7 3HZ LYS 7 -22.626 -4.734 -2.286 63 H ASP 8 H ASP 8 -20.463 -7.098 2.375 64 HA ASP 8 HA ASP 8 -18.599 -6.120 3.448 65 1HB ASP 8 2HB ASP 8 -19.273 -8.154 4.921 66 2HB ASP 8 1HB ASP 8 -17.856 -8.940 4.224 67 H LEU 9 H LEU 9 -16.200 -6.017 3.295 68 HA LEU 9 HA LEU 9 -14.961 -7.718 1.183 69 1HB LEU 9 2HB LEU 9 -14.284 -5.722 -0.058 70 2HB LEU 9 1HB LEU 9 -16.035 -5.691 0.158 71 HG LEU 9 HG LEU 9 -15.079 -4.441 2.448 72 1HD1 LEU 9 1HD1 LEU 9 -13.223 -4.060 0.164 73 2HD1 LEU 9 2HD1 LEU 9 -12.924 -3.904 1.895 74 3HD1 LEU 9 3HD1 LEU 9 -13.710 -2.594 1.014 75 1HD2 LEU 9 1HD2 LEU 9 -16.820 -3.228 1.663 76 2HD2 LEU 9 2HD2 LEU 9 -16.540 -3.772 0.008 77 3HD2 LEU 9 3HD2 LEU 9 -15.649 -2.388 0.644 78 H LYS 10 H LYS 10 -12.612 -6.000 1.017 79 HA LYS 10 HA LYS 10 -11.586 -5.350 3.626 80 1HB LYS 10 2HB LYS 10 -10.097 -7.401 3.770 81 2HB LYS 10 1HB LYS 10 -11.816 -7.709 4.011 82 1HG LYS 10 2HG LYS 10 -11.858 -9.105 2.252 83 2HG LYS 10 1HG LYS 10 -11.213 -7.843 1.201 84 1HD LYS 10 2HD LYS 10 -8.972 -8.527 2.588 85 2HD LYS 10 1HD LYS 10 -9.811 -10.078 2.541 86 1HE LYS 10 2HE LYS 10 -9.926 -8.706 -0.041 87 2HE LYS 10 1HE LYS 10 -8.260 -9.032 0.477 88 1HZ LYS 10 1HZ LYS 10 -8.838 -11.305 0.929 89 2HZ LYS 10 2HZ LYS 10 -9.289 -10.944 -0.669 90 3HZ LYS 10 3HZ LYS 10 -10.467 -11.021 0.553 91 H ILE 11 H ILE 11 -11.467 -4.488 0.715 92 HA ILE 11 HA ILE 11 -8.492 -4.236 0.568 93 HB ILE 11 HB ILE 11 -8.711 -4.624 -1.884 94 1HG1 ILE 11 2HG1 ILE 11 -11.572 -5.390 -1.230 95 2HG1 ILE 11 1HG1 ILE 11 -11.114 -3.857 -1.975 96 1HG2 ILE 11 1HG2 ILE 11 -8.858 -6.503 0.172 97 2HG2 ILE 11 2HG2 ILE 11 -8.369 -6.788 -1.498 98 3HG2 ILE 11 3HG2 ILE 11 -10.048 -7.027 -1.018 99 1HD1 ILE 11 1HD1 ILE 11 -9.775 -5.651 -3.556 100 2HD1 ILE 11 2HD1 ILE 11 -11.361 -4.980 -3.935 101 3HD1 ILE 11 3HD1 ILE 11 -11.233 -6.556 -3.154 102 H ASP 12 H ASP 12 -9.334 -2.978 -2.176 103 HA ASP 12 HA ASP 12 -9.838 -0.879 -3.001 104 1HB ASP 12 2HB ASP 12 -11.743 -1.549 -1.066 105 2HB ASP 12 1HB ASP 12 -11.262 0.099 -0.657 106 H ILE 13 H ILE 13 -9.469 -0.434 0.540 107 HA ILE 13 HA ILE 13 -8.197 2.063 0.535 108 HB ILE 13 HB ILE 13 -7.189 1.160 2.708 109 1HG1 ILE 13 2HG1 ILE 13 -8.877 -1.274 2.227 110 2HG1 ILE 13 1HG1 ILE 13 -7.234 -1.237 1.584 111 1HG2 ILE 13 1HG2 ILE 13 -10.050 1.246 1.917 112 2HG2 ILE 13 2HG2 ILE 13 -9.205 2.137 3.184 113 3HG2 ILE 13 3HG2 ILE 13 -9.697 0.465 3.459 114 1HD1 ILE 13 1HD1 ILE 13 -6.586 -0.438 3.990 115 2HD1 ILE 13 2HD1 ILE 13 -6.906 -2.150 3.715 116 3HD1 ILE 13 3HD1 ILE 13 -8.143 -1.129 4.448 117 H LYS 14 H LYS 14 -6.175 2.764 -0.049 118 HA LYS 14 HA LYS 14 -4.378 1.156 -1.571 119 1HB LYS 14 2HB LYS 14 -4.127 3.776 -0.076 120 2HB LYS 14 1HB LYS 14 -2.857 3.155 -1.133 121 1HG LYS 14 2HG LYS 14 -5.703 3.439 -2.094 122 2HG LYS 14 1HG LYS 14 -4.562 4.783 -2.179 123 1HD LYS 14 2HD LYS 14 -3.326 2.364 -3.167 124 2HD LYS 14 1HD LYS 14 -4.834 2.671 -4.029 125 1HE LYS 14 2HE LYS 14 -3.545 5.187 -3.769 126 2HE LYS 14 1HE LYS 14 -2.312 4.034 -4.317 127 1HZ LYS 14 1HZ LYS 14 -3.339 4.538 -6.293 128 2HZ LYS 14 2HZ LYS 14 -4.865 4.761 -5.580 129 3HZ LYS 14 3HZ LYS 14 -4.254 3.192 -5.810 130 H THR 15 H THR 15 -4.143 2.291 1.815 131 HA THR 15 HA THR 15 -1.697 1.311 2.607 132 HB THR 15 HB THR 15 -2.880 0.916 4.813 133 HG1 THR 15 1HG THR 15 -4.909 0.446 4.527 134 1HG2 THR 15 1HG2 THR 15 -3.383 3.269 5.097 135 2HG2 THR 15 2HG2 THR 15 -3.588 3.470 3.356 136 3HG2 THR 15 3HG2 THR 15 -1.992 3.117 4.021 137 H SER 16 H SER 16 -0.873 -0.660 1.862 138 HA SER 16 HA SER 16 -2.432 -3.017 1.433 139 1HB SER 16 2HB SER 16 0.535 -2.573 1.875 140 2HB SER 16 1HB SER 16 -0.165 -4.053 1.246 141 HG SER 16 HG SER 16 -0.780 -3.017 -0.551 142 HA PRO 17 HA PRO 17 0.821 -4.048 2.731 143 1HB PRO 17 2HB PRO 17 2.002 -5.285 4.810 144 2HB PRO 17 1HB PRO 17 1.832 -3.533 4.761 145 1HG PRO 17 2HG PRO 17 0.615 -5.387 6.550 146 2HG PRO 17 1HG PRO 17 0.436 -3.631 6.510 147 1HD PRO 17 2HD PRO 17 -1.290 -5.709 5.317 148 2HD PRO 17 1HD PRO 17 -1.690 -4.114 5.932 149 HA PRO 18 HA PRO 18 -0.837 -8.495 3.463 150 1HB PRO 18 2HB PRO 18 -2.476 -8.893 1.292 151 2HB PRO 18 1HB PRO 18 -3.014 -8.326 2.895 152 1HG PRO 18 2HG PRO 18 -2.461 -6.731 0.444 153 2HG PRO 18 1HG PRO 18 -3.788 -6.604 1.604 154 1HD PRO 18 2HD PRO 18 -1.670 -4.945 1.692 155 2HD PRO 18 1HD PRO 18 -2.526 -5.468 3.155 156 HA PRO 19 HA PRO 19 1.492 -9.288 -0.601 157 1HB PRO 19 2HB PRO 19 2.681 -7.136 -1.801 158 2HB PRO 19 1HB PRO 19 1.062 -7.701 -2.260 159 1HG PRO 19 2HG PRO 19 1.850 -5.393 -0.572 160 2HG PRO 19 1HG PRO 19 0.497 -5.561 -1.700 161 1HD PRO 19 2HD PRO 19 0.286 -5.744 1.028 162 2HD PRO 19 1HD PRO 19 -0.865 -6.442 -0.117 163 H GLU 20 H GLU 20 2.454 -9.746 1.607 164 HA GLU 20 HA GLU 20 4.270 -8.174 3.036 165 1HB GLU 20 2HB GLU 20 5.153 -10.505 3.706 166 2HB GLU 20 1HB GLU 20 3.446 -10.164 3.973 167 1HG GLU 20 2HG GLU 20 3.661 -11.148 1.321 168 2HG GLU 20 1HG GLU 20 4.642 -12.208 2.331 169 H CYS 21 H CYS 21 5.273 -7.392 0.603 170 HA CYS 21 HA CYS 21 7.598 -9.092 -0.020 171 1HB CYS 21 2HB CYS 21 8.065 -6.640 -1.272 172 2HB CYS 21 1HB CYS 21 7.363 -8.064 -2.012 173 HG CYS 21 HG CYS 21 5.144 -6.947 -2.083 174 H ILE 22 H ILE 22 6.881 -6.199 1.844 175 HA ILE 22 HA ILE 22 9.697 -5.573 2.409 176 HB ILE 22 HB ILE 22 7.149 -4.750 3.837 177 1HG1 ILE 22 2HG1 ILE 22 6.613 -3.558 2.042 178 2HG1 ILE 22 1HG1 ILE 22 8.042 -2.580 2.310 179 1HG2 ILE 22 1HG2 ILE 22 9.999 -4.017 4.047 180 2HG2 ILE 22 2HG2 ILE 22 8.720 -3.968 5.261 181 3HG2 ILE 22 3HG2 ILE 22 8.862 -2.672 4.072 182 1HD1 ILE 22 1HD1 ILE 22 9.269 -4.478 0.972 183 2HD1 ILE 22 2HD1 ILE 22 8.335 -3.270 0.090 184 3HD1 ILE 22 3HD1 ILE 22 7.650 -4.867 0.390 185 H ASN 23 H ASN 23 6.962 -6.736 4.407 186 HA ASN 23 HA ASN 23 8.624 -7.314 6.679 187 1HB ASN 23 2HB ASN 23 6.663 -8.471 7.514 188 2HB ASN 23 1HB ASN 23 6.145 -7.010 6.684 189 1HD2 ASN 23 1HD2 ASN 23 4.914 -9.864 7.109 190 2HD2 ASN 23 2HD2 ASN 23 4.382 -10.279 5.554 191 H ASP 24 H ASP 24 7.339 -9.497 4.118 192 HA ASP 24 HA ASP 24 8.604 -11.875 5.074 193 1HB ASP 24 2HB ASP 24 6.878 -11.490 3.177 194 2HB ASP 24 1HB ASP 24 8.266 -11.067 2.173 195 H LEU 25 H LEU 25 9.720 -8.969 3.616 196 HA LEU 25 HA LEU 25 12.297 -9.997 2.758 197 1HB LEU 25 2HB LEU 25 11.678 -8.214 1.476 198 2HB LEU 25 1HB LEU 25 10.764 -7.465 2.751 199 HG LEU 25 HG LEU 25 13.394 -7.324 3.686 200 1HD1 LEU 25 1HD1 LEU 25 14.849 -7.222 2.044 201 2HD1 LEU 25 2HD1 LEU 25 13.845 -6.062 1.172 202 3HD1 LEU 25 3HD1 LEU 25 13.586 -7.791 0.951 203 1HD2 LEU 25 1HD2 LEU 25 11.337 -5.631 3.369 204 2HD2 LEU 25 2HD2 LEU 25 12.408 -5.043 2.095 205 3HD2 LEU 25 3HD2 LEU 25 12.975 -5.112 3.765 206 H LEU 26 H LEU 26 11.235 -7.487 4.908 207 HA LEU 26 HA LEU 26 13.676 -7.265 6.279 208 1HB LEU 26 2HB LEU 26 12.266 -5.394 6.036 209 2HB LEU 26 1HB LEU 26 10.862 -6.295 6.583 210 HG LEU 26 HG LEU 26 11.907 -6.523 8.791 211 1HD1 LEU 26 1HD1 LEU 26 14.103 -5.368 7.277 212 2HD1 LEU 26 2HD1 LEU 26 14.137 -6.164 8.852 213 3HD1 LEU 26 3HD1 LEU 26 13.751 -4.454 8.731 214 1HD2 LEU 26 1HD2 LEU 26 10.606 -4.330 7.681 215 2HD2 LEU 26 2HD2 LEU 26 11.991 -3.619 8.501 216 3HD2 LEU 26 3HD2 LEU 26 10.850 -4.612 9.404 217 H GLN 27 H GLN 27 11.328 -9.624 6.484 218 HA GLN 27 HA GLN 27 11.185 -10.098 9.314 219 1HB GLN 27 2HB GLN 27 10.621 -11.450 6.723 220 2HB GLN 27 1HB GLN 27 10.757 -12.463 8.151 221 1HG GLN 27 2HG GLN 27 9.199 -10.078 8.700 222 2HG GLN 27 1HG GLN 27 8.509 -10.996 7.364 223 1HE2 GLN 27 1HE2 GLN 27 9.501 -13.600 8.403 224 2HE2 GLN 27 2HE2 GLN 27 8.535 -13.975 9.742 225 H ALA 28 H ALA 28 13.697 -10.225 7.035 226 HA ALA 28 HA ALA 28 15.186 -12.218 8.653 227 1HB ALA 28 1HB ALA 28 16.225 -12.037 6.027 228 2HB ALA 28 2HB ALA 28 14.463 -12.043 5.884 229 3HB ALA 28 3HB ALA 28 15.283 -13.360 6.723 230 H VAL 29 H VAL 29 15.302 -8.877 7.343 231 HA VAL 29 HA VAL 29 18.235 -8.946 7.970 232 HB VAL 29 HB VAL 29 18.057 -8.210 5.782 233 1HG1 VAL 29 1HG1 VAL 29 15.697 -8.276 5.494 234 2HG1 VAL 29 2HG1 VAL 29 16.196 -6.650 5.046 235 3HG1 VAL 29 3HG1 VAL 29 15.453 -6.936 6.616 236 1HG2 VAL 29 1HG2 VAL 29 19.078 -6.412 7.277 237 2HG2 VAL 29 2HG2 VAL 29 17.533 -5.571 7.160 238 3HG2 VAL 29 3HG2 VAL 29 18.489 -5.863 5.708 239 H ASP 30 H ASP 30 15.701 -8.479 9.751 240 HA ASP 30 HA ASP 30 15.216 -7.032 11.588 241 1HB ASP 30 2HB ASP 30 18.132 -7.524 11.265 242 2HB ASP 30 1HB ASP 30 17.662 -6.336 12.461 243 H SER 31 H SER 31 14.260 -5.157 10.442 244 HA SER 31 HA SER 31 16.050 -2.837 10.560 245 1HB SER 31 2HB SER 31 16.214 -4.555 8.465 246 2HB SER 31 1HB SER 31 15.018 -3.466 7.836 247 HG SER 31 HG SER 31 17.659 -2.989 8.708 248 H GLN 32 H GLN 32 13.958 -2.799 12.020 249 HA GLN 32 HA GLN 32 11.349 -2.442 11.155 250 1HB GLN 32 2HB GLN 32 12.790 -2.112 13.449 251 2HB GLN 32 1HB GLN 32 12.379 -0.439 13.076 252 1HG GLN 32 2HG GLN 32 10.149 -0.767 13.469 253 2HG GLN 32 1HG GLN 32 10.169 -2.389 12.779 254 1HE2 GLN 32 1HE2 GLN 32 10.642 -4.175 14.173 255 2HE2 GLN 32 2HE2 GLN 32 10.742 -4.001 15.855 256 H GLU 33 H GLU 33 14.085 -0.352 10.530 257 HA GLU 33 HA GLU 33 12.652 2.062 9.939 258 1HB GLU 33 2HB GLU 33 15.167 0.953 8.665 259 2HB GLU 33 1HB GLU 33 14.708 2.651 8.797 260 1HG GLU 33 2HG GLU 33 14.576 1.919 11.407 261 2HG GLU 33 1HG GLU 33 15.858 0.844 10.844 262 H VAL 34 H VAL 34 13.247 -0.907 8.154 263 HA VAL 34 HA VAL 34 12.282 0.145 5.602 264 HB VAL 34 HB VAL 34 13.545 -2.249 6.725 265 1HG1 VAL 34 1HG1 VAL 34 11.108 -2.608 5.005 266 2HG1 VAL 34 2HG1 VAL 34 11.677 -3.585 6.354 267 3HG1 VAL 34 3HG1 VAL 34 12.485 -3.687 4.794 268 1HG2 VAL 34 1HG2 VAL 34 13.340 -0.798 4.111 269 2HG2 VAL 34 2HG2 VAL 34 13.981 -2.437 4.110 270 3HG2 VAL 34 3HG2 VAL 34 14.770 -1.184 5.068 271 H ARG 35 H ARG 35 10.955 -1.787 8.290 272 HA ARG 35 HA ARG 35 8.322 -2.110 7.042 273 1HB ARG 35 2HB ARG 35 9.836 -2.955 9.331 274 2HB ARG 35 1HB ARG 35 8.265 -2.364 9.854 275 1HG ARG 35 2HG ARG 35 7.553 -3.855 7.689 276 2HG ARG 35 1HG ARG 35 8.935 -4.775 8.287 277 1HD ARG 35 2HD ARG 35 7.954 -4.971 10.484 278 2HD ARG 35 1HD ARG 35 6.653 -3.850 10.042 279 HE ARG 35 HE ARG 35 5.954 -5.569 8.322 280 1HH1 ARG 35 1HH2 ARG 35 8.603 -6.714 10.045 281 2HH1 ARG 35 2HH2 ARG 35 7.913 -8.259 10.420 282 1HH2 ARG 35 1HH1 ARG 35 4.769 -7.441 9.200 283 2HH2 ARG 35 2HH1 ARG 35 5.738 -8.671 9.940 284 H ASP 36 H ASP 36 9.769 -0.157 9.654 285 HA ASP 36 HA ASP 36 7.515 1.401 10.368 286 1HB ASP 36 2HB ASP 36 9.902 1.257 11.377 287 2HB ASP 36 1HB ASP 36 10.370 2.398 10.122 288 H TYR 37 H TYR 37 9.643 1.342 7.681 289 HA TYR 37 HA TYR 37 8.884 3.867 6.481 290 1HB TYR 37 2HB TYR 37 11.020 3.152 5.952 291 2HB TYR 37 1HB TYR 37 10.567 1.454 5.917 292 HD1 TYR 37 1HD TYR 37 9.209 0.567 4.044 293 HD2 TYR 37 2HD TYR 37 10.895 4.511 3.971 294 HE1 TYR 37 1HE TYR 37 8.722 0.708 1.642 295 HE2 TYR 37 2HE TYR 37 10.441 4.655 1.535 296 HH TYR 37 HH TYR 37 9.959 3.340 -0.328 297 H CYS 38 H CYS 38 8.426 0.417 5.817 298 HA CYS 38 HA CYS 38 6.646 0.506 3.677 299 1HB CYS 38 2HB CYS 38 7.840 -1.411 4.869 300 2HB CYS 38 1HB CYS 38 6.552 -1.353 6.047 301 HG CYS 38 HG CYS 38 6.060 -2.028 3.045 302 H GLU 39 H GLU 39 5.834 0.489 7.170 303 HA GLU 39 HA GLU 39 3.000 0.958 6.690 304 1HB GLU 39 2HB GLU 39 3.085 1.337 9.189 305 2HB GLU 39 1HB GLU 39 3.862 -0.174 8.703 306 1HG GLU 39 2HG GLU 39 5.760 0.536 9.686 307 2HG GLU 39 1HG GLU 39 5.836 1.833 8.487 308 H LYS 40 H LYS 40 5.825 2.870 6.510 309 HA LYS 40 HA LYS 40 4.495 5.382 7.289 310 1HB LYS 40 2HB LYS 40 6.909 5.115 7.717 311 2HB LYS 40 1HB LYS 40 7.183 4.719 6.019 312 1HG LYS 40 2HG LYS 40 6.605 6.912 5.306 313 2HG LYS 40 1HG LYS 40 5.973 7.340 6.895 314 1HD LYS 40 2HD LYS 40 8.019 7.985 7.576 315 2HD LYS 40 1HD LYS 40 8.677 6.401 7.161 316 1HE LYS 40 2HE LYS 40 9.900 7.673 5.664 317 2HE LYS 40 1HE LYS 40 8.446 7.449 4.673 318 1HZ LYS 40 1HZ LYS 40 7.875 9.510 6.428 319 2HZ LYS 40 2HZ LYS 40 8.152 9.638 4.757 320 3HZ LYS 40 3HZ LYS 40 9.437 9.834 5.852 321 H LYS 41 H LYS 41 5.453 3.423 4.637 322 HA LYS 41 HA LYS 41 4.961 5.164 2.438 323 1HB LYS 41 2HB LYS 41 4.743 2.177 2.752 324 2HB LYS 41 1HB LYS 41 4.988 3.032 1.252 325 1HG LYS 41 2HG LYS 41 6.877 2.299 3.347 326 2HG LYS 41 1HG LYS 41 7.140 2.508 1.627 327 1HD LYS 41 2HD LYS 41 6.648 4.908 3.361 328 2HD LYS 41 1HD LYS 41 8.212 4.191 3.242 329 1HE LYS 41 2HE LYS 41 8.351 4.576 0.898 330 2HE LYS 41 1HE LYS 41 6.618 4.911 0.805 331 1HZ LYS 41 1HZ LYS 41 8.677 6.530 2.199 332 2HZ LYS 41 2HZ LYS 41 7.006 6.777 2.373 333 3HZ LYS 41 3HZ LYS 41 7.747 6.996 0.860 334 H GLY 42 H GLY 42 3.305 2.405 3.761 335 1HA GLY 42 2HA GLY 42 0.881 2.917 4.368 336 2HA GLY 42 1HA GLY 42 0.720 3.343 2.683 337 H TRP 43 H TRP 43 2.095 0.678 4.566 338 HA TRP 43 HA TRP 43 0.446 -1.223 2.967 339 1HB TRP 43 2HB TRP 43 2.966 -2.122 4.263 340 2HB TRP 43 1HB TRP 43 2.143 -2.810 2.924 341 HD1 TRP 43 HD TRP 43 3.122 0.834 2.994 342 HE1 TRP 43 1HE TRP 43 4.858 1.231 1.304 343 HE3 TRP 43 3HE TRP 43 4.099 -3.926 1.411 344 HZ2 TRP 43 2HZ TRP 43 6.585 -0.040 -0.416 345 HZ3 TRP 43 3HZ TRP 43 5.851 -4.281 -0.267 346 HH2 TRP 43 HH TRP 43 7.101 -2.356 -1.225 347 H ILE 44 H ILE 44 2.441 -0.579 5.584 348 HA ILE 44 HA ILE 44 2.044 -0.532 7.830 349 HB ILE 44 HB ILE 44 -0.443 -2.129 7.346 350 1HG1 ILE 44 2HG1 ILE 44 -0.632 0.806 7.568 351 2HG1 ILE 44 1HG1 ILE 44 0.058 0.230 6.073 352 1HG2 ILE 44 1HG2 ILE 44 -0.297 -1.939 9.642 353 2HG2 ILE 44 2HG2 ILE 44 -0.932 -0.319 9.344 354 3HG2 ILE 44 3HG2 ILE 44 0.808 -0.562 9.547 355 1HD1 ILE 44 1HD1 ILE 44 -2.644 0.384 6.598 356 2HD1 ILE 44 2HD1 ILE 44 -2.283 -1.311 6.925 357 3HD1 ILE 44 3HD1 ILE 44 -1.910 -0.619 5.346 358 H VAL 45 H VAL 45 2.904 -2.824 6.024 359 HA VAL 45 HA VAL 45 2.648 -5.377 6.764 360 HB VAL 45 HB VAL 45 5.178 -5.472 6.622 361 1HG1 VAL 45 1HG1 VAL 45 3.647 -3.901 4.553 362 2HG1 VAL 45 2HG1 VAL 45 3.805 -5.655 4.628 363 3HG1 VAL 45 3HG1 VAL 45 5.214 -4.656 4.274 364 1HG2 VAL 45 1HG2 VAL 45 4.845 -2.492 6.283 365 2HG2 VAL 45 2HG2 VAL 45 6.349 -3.394 6.109 366 3HG2 VAL 45 3HG2 VAL 45 5.576 -3.268 7.686 367 H ASN 46 H ASN 46 1.935 -5.892 8.873 368 HA ASN 46 HA ASN 46 3.980 -5.997 10.967 369 1HB ASN 46 2HB ASN 46 3.358 -3.717 11.280 370 2HB ASN 46 1HB ASN 46 1.647 -4.073 11.037 371 1HD2 ASN 46 1HD2 ASN 46 1.082 -3.194 13.156 372 2HD2 ASN 46 2HD2 ASN 46 1.462 -4.028 14.583 373 H ILE 47 H ILE 47 3.252 -7.296 12.795 374 HA ILE 47 HA ILE 47 1.237 -9.293 12.086 375 HB ILE 47 HB ILE 47 3.424 -9.693 13.274 376 1HG1 ILE 47 2HG1 ILE 47 1.203 -10.510 15.128 377 2HG1 ILE 47 1HG1 ILE 47 1.209 -11.110 13.469 378 1HG2 ILE 47 1HG2 ILE 47 3.189 -7.610 14.703 379 2HG2 ILE 47 2HG2 ILE 47 3.665 -9.062 15.583 380 3HG2 ILE 47 3HG2 ILE 47 1.998 -8.490 15.661 381 1HD1 ILE 47 1HD1 ILE 47 2.959 -12.500 13.856 382 2HD1 ILE 47 2HD1 ILE 47 2.581 -12.263 15.562 383 3HD1 ILE 47 3HD1 ILE 47 3.830 -11.285 14.791 384 H THR 48 H THR 48 -0.801 -9.560 13.074 385 HA THR 48 HA THR 48 -1.776 -7.218 14.660 386 HB THR 48 HB THR 48 -2.825 -7.835 12.461 387 HG1 THR 48 1HG THR 48 -4.740 -7.331 13.239 388 1HG2 THR 48 1HG2 THR 48 -3.278 -9.990 12.012 389 2HG2 THR 48 2HG2 THR 48 -4.379 -10.057 13.387 390 3HG2 THR 48 3HG2 THR 48 -2.672 -10.439 13.607 391 H SER 49 H SER 49 -3.853 -8.131 16.028 392 HA SER 49 HA SER 49 -2.668 -10.010 17.982 393 1HB SER 49 2HB SER 49 -3.661 -8.082 18.927 394 2HB SER 49 1HB SER 49 -5.046 -8.156 17.842 395 HG SER 49 HG SER 49 -5.128 -8.981 20.193 396 H GLN 50 H GLN 50 -5.849 -9.723 16.329 397 HA GLN 50 HA GLN 50 -6.848 -12.280 16.978 398 1HB GLN 50 2HB GLN 50 -7.649 -10.093 15.539 399 2HB GLN 50 1HB GLN 50 -7.396 -11.270 14.252 400 1HG GLN 50 2HG GLN 50 -9.380 -12.196 14.765 401 2HG GLN 50 1HG GLN 50 -8.717 -12.653 16.335 402 1HE2 GLN 50 1HE2 GLN 50 -8.667 -10.618 17.946 403 2HE2 GLN 50 2HE2 GLN 50 -10.090 -9.692 17.965 404 H VAL 51 H VAL 51 -5.442 -14.036 16.744 405 HA VAL 51 HA VAL 51 -4.452 -14.573 13.963 406 HB VAL 51 HB VAL 51 -3.111 -15.007 16.649 407 1HG1 VAL 51 1HG1 VAL 51 -2.163 -16.767 15.549 408 2HG1 VAL 51 2HG1 VAL 51 -1.205 -15.510 14.766 409 3HG1 VAL 51 3HG1 VAL 51 -2.636 -16.157 13.963 410 1HG2 VAL 51 1HG2 VAL 51 -3.130 -12.845 14.746 411 2HG2 VAL 51 2HG2 VAL 51 -1.516 -13.555 14.803 412 3HG2 VAL 51 3HG2 VAL 51 -2.267 -12.952 16.281 413 H GLN 52 H GLN 52 -6.811 -15.515 15.804 414 HA GLN 52 HA GLN 52 -7.936 -17.557 16.200 415 1HB GLN 52 2HB GLN 52 -6.075 -18.341 13.931 416 2HB GLN 52 1HB GLN 52 -7.545 -19.201 14.392 417 1HG GLN 52 2HG GLN 52 -7.910 -16.307 13.935 418 2HG GLN 52 1HG GLN 52 -7.455 -17.226 12.500 419 1HE2 GLN 52 1HE2 GLN 52 -8.907 -19.003 11.827 420 2HE2 GLN 52 2HE2 GLN 52 -10.518 -19.046 12.361 421 H THR 53 H THR 53 -7.480 -19.966 16.736 422 HA THR 53 HA THR 53 -4.721 -20.534 17.643 423 HB THR 53 HB THR 53 -5.591 -20.872 19.993 424 HG1 THR 53 1HG THR 53 -7.828 -19.520 18.892 425 1HG2 THR 53 1HG2 THR 53 -5.313 -18.615 20.579 426 2HG2 THR 53 2HG2 THR 53 -6.114 -18.040 19.117 427 3HG2 THR 53 3HG2 THR 53 -4.491 -18.723 19.022 428 H GLU 54 H GLU 54 -6.706 -21.738 15.767 429 HA GLU 54 HA GLU 54 -7.547 -23.875 15.218 430 1HB GLU 54 2HB GLU 54 -5.180 -24.382 15.580 431 2HB GLU 54 1HB GLU 54 -5.451 -24.531 17.315 432 1HG GLU 54 2HG GLU 54 -5.791 -26.733 16.917 433 2HG GLU 54 1HG GLU 54 -7.344 -26.246 16.236 434 H ARG 55 H ARG 55 -6.815 -24.818 18.542 435 HA ARG 55 HA ARG 55 -9.766 -24.984 19.069 436 1HB ARG 55 2HB ARG 55 -8.486 -27.135 18.675 437 2HB ARG 55 1HB ARG 55 -7.553 -26.769 20.127 438 1HG ARG 55 2HG ARG 55 -9.393 -27.044 21.542 439 2HG ARG 55 1HG ARG 55 -10.555 -26.750 20.248 440 1HD ARG 55 2HD ARG 55 -10.477 -28.931 19.501 441 2HD ARG 55 1HD ARG 55 -8.769 -29.127 19.943 442 HE ARG 55 HE ARG 55 -10.322 -28.717 22.318 443 1HH1 ARG 55 1HH1 ARG 55 -10.903 -30.916 19.857 444 2HH1 ARG 55 2HH1 ARG 55 -10.696 -32.334 20.831 445 1HH2 ARG 55 1HH2 ARG 55 -9.522 -30.592 23.589 446 2HH2 ARG 55 2HH2 ARG 55 -9.915 -32.150 22.943 447 H ASN 56 H ASN 56 -6.579 -24.168 20.336 448 HA ASN 56 HA ASN 56 -5.954 -22.964 22.272 449 1HB ASN 56 2HB ASN 56 -7.838 -21.596 21.060 450 2HB ASN 56 1HB ASN 56 -8.834 -22.099 22.427 451 1HD2 ASN 56 1HD2 ASN 56 -8.927 -19.953 23.375 452 2HD2 ASN 56 2HD2 ASN 56 -7.561 -19.222 24.069 453 H ILE 57 H ILE 57 -7.398 -25.713 22.448 454 HA ILE 57 HA ILE 57 -8.183 -27.135 24.172 455 HB ILE 57 HB ILE 57 -6.502 -25.044 25.578 456 1HG1 ILE 57 2HG1 ILE 57 -5.750 -27.918 25.223 457 2HG1 ILE 57 1HG1 ILE 57 -5.685 -26.868 23.808 458 1HG2 ILE 57 1HG2 ILE 57 -7.493 -27.690 26.682 459 2HG2 ILE 57 2HG2 ILE 57 -8.108 -26.108 27.163 460 3HG2 ILE 57 3HG2 ILE 57 -6.434 -26.545 27.505 461 1HD1 ILE 57 1HD1 ILE 57 -3.610 -26.336 24.574 462 2HD1 ILE 57 2HD1 ILE 57 -3.967 -26.899 26.207 463 3HD1 ILE 57 3HD1 ILE 57 -4.484 -25.292 25.696 464 H ASN 58 H ASN 58 -10.446 -26.774 24.166 465 HA ASN 58 HA ASN 58 -11.446 -24.594 25.971 466 1HB ASN 58 2HB ASN 58 -13.465 -24.692 24.581 467 2HB ASN 58 1HB ASN 58 -12.048 -24.505 23.545 468 1HD2 ASN 58 1HD2 ASN 58 -11.389 -26.347 22.239 469 2HD2 ASN 58 2HD2 ASN 58 -12.396 -27.696 22.029 470 H ARG 59 H ARG 59 -13.261 -25.171 27.368 471 HA ARG 59 HA ARG 59 -13.082 -27.919 28.398 472 1HB ARG 59 2HB ARG 59 -14.847 -25.584 29.199 473 2HB ARG 59 1HB ARG 59 -14.468 -26.999 30.181 474 1HG ARG 59 2HG ARG 59 -11.983 -26.278 29.817 475 2HG ARG 59 1HG ARG 59 -12.678 -24.710 29.402 476 1HD ARG 59 2HD ARG 59 -14.047 -25.093 31.653 477 2HD ARG 59 1HD ARG 59 -12.660 -26.131 32.042 478 HE ARG 59 HE ARG 59 -12.493 -23.219 31.410 479 1HH1 ARG 59 1HH2 ARG 59 -10.444 -25.783 31.100 480 2HH1 ARG 59 2HH2 ARG 59 -9.277 -25.256 32.265 481 1HH2 ARG 59 1HH1 ARG 59 -11.270 -22.697 33.494 482 2HH2 ARG 59 2HH1 ARG 59 -9.745 -23.508 33.621 483 H ALA 60 H ALA 60 -15.689 -28.387 29.238 484 HA ALA 60 HA ALA 60 -17.401 -28.311 26.799 485 1HB ALA 60 1HB ALA 60 -15.911 -30.574 27.888 486 2HB ALA 60 2HB ALA 60 -16.746 -30.433 26.342 487 3HB ALA 60 3HB ALA 60 -17.639 -30.915 27.785 488 1H MET 1 1HT MET 1 24.021 -25.219 -27.983 489 2H MET 1 2HT MET 1 23.472 -24.784 -26.436 490 3H MET 1 3HT MET 1 23.428 -23.655 -27.705 491 HA MET 1 HA MET 1 21.256 -24.288 -27.791 492 1HB MET 1 2HB MET 1 23.014 -26.163 -29.357 493 2HB MET 1 1HB MET 1 21.260 -26.337 -29.442 494 1HG MET 1 2HG MET 1 21.001 -24.073 -30.230 495 2HG MET 1 1HG MET 1 22.705 -23.722 -29.940 496 1HE MET 1 1HE MET 1 20.122 -24.639 -32.490 497 2HE MET 1 2HE MET 1 20.287 -26.171 -31.635 498 3HE MET 1 3HE MET 1 20.756 -26.061 -33.329 499 H GLY 2 H GLY 2 19.596 -25.649 -26.969 500 1HA GLY 2 2HA GLY 2 18.719 -27.112 -25.339 501 2HA GLY 2 1HA GLY 2 19.733 -28.304 -26.155 502 HA PRO 3 HA PRO 3 22.291 -26.484 -22.497 503 1HB PRO 3 2HB PRO 3 20.857 -25.140 -20.605 504 2HB PRO 3 1HB PRO 3 21.551 -24.323 -22.021 505 1HG PRO 3 2HG PRO 3 18.755 -25.238 -21.543 506 2HG PRO 3 1HG PRO 3 19.338 -23.741 -22.296 507 1HD PRO 3 2HD PRO 3 18.421 -25.870 -23.723 508 2HD PRO 3 1HD PRO 3 19.641 -24.735 -24.343 509 H LEU 4 H LEU 4 18.903 -27.204 -21.742 510 HA LEU 4 HA LEU 4 19.679 -29.626 -20.217 511 1HB LEU 4 2HB LEU 4 19.340 -27.119 -19.021 512 2HB LEU 4 1HB LEU 4 17.799 -27.921 -18.767 513 HG LEU 4 HG LEU 4 19.358 -28.400 -16.910 514 1HD1 LEU 4 1HD1 LEU 4 17.693 -30.126 -18.000 515 2HD1 LEU 4 2HD1 LEU 4 18.838 -30.668 -16.774 516 3HD1 LEU 4 3HD1 LEU 4 19.175 -30.952 -18.481 517 1HD2 LEU 4 1HD2 LEU 4 21.385 -28.251 -18.533 518 2HD2 LEU 4 2HD2 LEU 4 21.045 -29.947 -18.875 519 3HD2 LEU 4 3HD2 LEU 4 21.452 -29.444 -17.235 520 H GLN 5 H GLN 5 18.263 -29.530 -22.652 521 HA GLN 5 HA GLN 5 16.258 -30.414 -23.566 522 1HB GLN 5 2HB GLN 5 15.235 -30.585 -20.721 523 2HB GLN 5 1HB GLN 5 14.836 -31.619 -22.088 524 1HG GLN 5 2HG GLN 5 17.685 -31.688 -21.638 525 2HG GLN 5 1HG GLN 5 16.835 -32.065 -20.139 526 1HE2 GLN 5 1HE2 GLN 5 17.940 -33.428 -23.040 527 2HE2 GLN 5 2HE2 GLN 5 16.987 -34.833 -23.033 528 H TYR 6 H TYR 6 15.578 -28.387 -20.685 529 HA TYR 6 HA TYR 6 14.507 -26.302 -20.539 530 1HB TYR 6 2HB TYR 6 15.592 -26.268 -22.974 531 2HB TYR 6 1HB TYR 6 13.903 -26.358 -23.472 532 HD1 TYR 6 1HD TYR 6 12.255 -24.669 -22.431 533 HD2 TYR 6 2HD TYR 6 16.525 -24.217 -22.282 534 HE1 TYR 6 1HE TYR 6 11.982 -22.251 -21.956 535 HE2 TYR 6 2HE TYR 6 16.251 -21.797 -21.808 536 HH TYR 6 HH TYR 6 14.570 -20.041 -22.136 537 H LYS 7 H LYS 7 12.494 -26.358 -19.638 538 HA LYS 7 HA LYS 7 10.096 -26.877 -21.151 539 1HB LYS 7 2HB LYS 7 11.563 -29.130 -20.231 540 2HB LYS 7 1HB LYS 7 10.127 -29.013 -19.213 541 1HG LYS 7 2HG LYS 7 10.058 -28.899 -22.241 542 2HG LYS 7 1HG LYS 7 9.783 -30.370 -21.308 543 1HD LYS 7 2HD LYS 7 8.123 -28.481 -20.096 544 2HD LYS 7 1HD LYS 7 7.967 -28.148 -21.822 545 1HE LYS 7 2HE LYS 7 7.390 -30.485 -22.267 546 2HE LYS 7 1HE LYS 7 7.644 -30.896 -20.558 547 1HZ LYS 7 1HZ LYS 7 5.278 -30.199 -21.451 548 2HZ LYS 7 2HZ LYS 7 5.892 -28.637 -21.183 549 3HZ LYS 7 3HZ LYS 7 5.806 -29.749 -19.902 550 H ASP 8 H ASP 8 8.172 -26.622 -19.784 551 HA ASP 8 HA ASP 8 7.021 -25.530 -18.027 552 1HB ASP 8 2HB ASP 8 8.141 -27.766 -17.138 553 2HB ASP 8 1HB ASP 8 9.118 -26.643 -16.191 554 H LEU 9 H LEU 9 7.523 -23.329 -18.471 555 HA LEU 9 HA LEU 9 10.031 -22.187 -17.359 556 1HB LEU 9 2HB LEU 9 9.419 -20.277 -18.708 557 2HB LEU 9 1HB LEU 9 9.091 -21.717 -19.675 558 HG LEU 9 HG LEU 9 6.741 -21.329 -18.224 559 1HD1 LEU 9 1HD1 LEU 9 6.185 -18.939 -18.814 560 2HD1 LEU 9 2HD1 LEU 9 7.893 -18.693 -19.181 561 3HD1 LEU 9 3HD1 LEU 9 7.393 -19.106 -17.540 562 1HD2 LEU 9 1HD2 LEU 9 7.253 -21.944 -20.701 563 2HD2 LEU 9 2HD2 LEU 9 7.181 -20.205 -20.989 564 3HD2 LEU 9 3HD2 LEU 9 5.769 -21.053 -20.357 565 H LYS 10 H LYS 10 7.406 -23.098 -15.858 566 HA LYS 10 HA LYS 10 6.442 -20.607 -14.657 567 1HB LYS 10 2HB LYS 10 5.210 -22.832 -15.117 568 2HB LYS 10 1HB LYS 10 6.030 -23.433 -13.675 569 1HG LYS 10 2HG LYS 10 4.995 -21.783 -12.284 570 2HG LYS 10 1HG LYS 10 4.404 -20.882 -13.682 571 1HD LYS 10 2HD LYS 10 2.544 -22.141 -13.775 572 2HD LYS 10 1HD LYS 10 3.501 -23.621 -13.823 573 1HE LYS 10 2HE LYS 10 2.068 -23.667 -11.833 574 2HE LYS 10 1HE LYS 10 3.753 -23.456 -11.313 575 1HZ LYS 10 1HZ LYS 10 1.811 -21.255 -11.787 576 2HZ LYS 10 2HZ LYS 10 3.422 -21.071 -11.278 577 3HZ LYS 10 3HZ LYS 10 2.287 -21.824 -10.262 578 H ILE 11 H ILE 11 9.319 -22.081 -14.327 579 HA ILE 11 HA ILE 11 9.626 -21.136 -11.531 580 HB ILE 11 HB ILE 11 10.950 -23.424 -11.254 581 1HG1 ILE 11 2HG1 ILE 11 9.739 -25.257 -12.465 582 2HG1 ILE 11 1HG1 ILE 11 8.934 -24.028 -13.439 583 1HG2 ILE 11 1HG2 ILE 11 8.014 -22.913 -11.066 584 2HG2 ILE 11 2HG2 ILE 11 9.219 -23.010 -9.783 585 3HG2 ILE 11 3HG2 ILE 11 8.688 -24.475 -10.607 586 1HD1 ILE 11 1HD1 ILE 11 11.946 -24.236 -13.237 587 2HD1 ILE 11 2HD1 ILE 11 11.004 -23.307 -14.405 588 3HD1 ILE 11 3HD1 ILE 11 11.014 -25.070 -14.481 589 H ASP 12 H ASP 12 12.275 -22.900 -11.968 590 HA ASP 12 HA ASP 12 14.475 -22.319 -12.458 591 1HB ASP 12 2HB ASP 12 13.724 -23.044 -14.624 592 2HB ASP 12 1HB ASP 12 12.892 -21.523 -14.911 593 H ILE 13 H ILE 13 13.398 -19.725 -14.501 594 HA ILE 13 HA ILE 13 14.996 -17.766 -13.095 595 HB ILE 13 HB ILE 13 12.929 -17.657 -15.306 596 1HG1 ILE 13 2HG1 ILE 13 14.931 -18.851 -15.938 597 2HG1 ILE 13 1HG1 ILE 13 15.028 -17.246 -16.664 598 1HG2 ILE 13 1HG2 ILE 13 12.869 -15.428 -14.913 599 2HG2 ILE 13 2HG2 ILE 13 14.519 -15.401 -15.533 600 3HG2 ILE 13 3HG2 ILE 13 14.232 -15.506 -13.796 601 1HD1 ILE 13 1HD1 ILE 13 17.101 -17.227 -15.708 602 2HD1 ILE 13 2HD1 ILE 13 16.668 -18.445 -14.508 603 3HD1 ILE 13 3HD1 ILE 13 16.204 -16.762 -14.262 604 H LYS 14 H LYS 14 13.723 -18.256 -10.942 605 HA LYS 14 HA LYS 14 11.132 -16.829 -10.768 606 1HB LYS 14 2HB LYS 14 10.842 -18.137 -8.905 607 2HB LYS 14 1HB LYS 14 12.163 -19.071 -9.597 608 1HG LYS 14 2HG LYS 14 13.025 -18.735 -7.484 609 2HG LYS 14 1HG LYS 14 13.629 -17.270 -8.259 610 1HD LYS 14 2HD LYS 14 11.382 -16.205 -7.525 611 2HD LYS 14 1HD LYS 14 11.249 -17.584 -6.434 612 1HE LYS 14 2HE LYS 14 13.874 -16.708 -6.061 613 2HE LYS 14 1HE LYS 14 12.929 -15.210 -6.185 614 1HZ LYS 14 1HZ LYS 14 12.419 -15.680 -4.051 615 2HZ LYS 14 2HZ LYS 14 12.776 -17.334 -4.204 616 3HZ LYS 14 3HZ LYS 14 11.283 -16.731 -4.746 617 H THR 15 H THR 15 14.445 -16.167 -10.488 618 HA THR 15 HA THR 15 14.637 -14.262 -8.401 619 HB THR 15 HB THR 15 16.530 -13.456 -9.924 620 HG1 THR 15 1HG THR 15 15.648 -14.048 -11.887 621 1HG2 THR 15 1HG2 THR 15 17.823 -15.490 -9.544 622 2HG2 THR 15 2HG2 THR 15 16.337 -16.418 -9.338 623 3HG2 THR 15 3HG2 THR 15 16.777 -15.184 -8.157 624 H SER 16 H SER 16 13.271 -12.469 -8.222 625 HA SER 16 HA SER 16 11.914 -11.266 -10.439 626 1HB SER 16 2HB SER 16 12.517 -10.280 -7.637 627 2HB SER 16 1HB SER 16 11.342 -9.556 -8.718 628 HG SER 16 HG SER 16 10.106 -11.320 -8.582 629 HA PRO 17 HA PRO 17 12.702 -8.617 -8.064 630 1HB PRO 17 2HB PRO 17 14.110 -6.342 -7.790 631 2HB PRO 17 1HB PRO 17 14.767 -7.895 -7.286 632 1HG PRO 17 2HG PRO 17 15.657 -6.182 -9.385 633 2HG PRO 17 1HG PRO 17 16.333 -7.735 -8.882 634 1HD PRO 17 2HD PRO 17 14.399 -7.148 -11.040 635 2HD PRO 17 1HD PRO 17 15.605 -8.419 -10.907 636 HA PRO 18 HA PRO 18 11.613 -5.304 -11.369 637 1HB PRO 18 2HB PRO 18 9.457 -6.421 -12.663 638 2HB PRO 18 1HB PRO 18 11.156 -6.538 -13.199 639 1HG PRO 18 2HG PRO 18 9.539 -8.532 -11.695 640 2HG PRO 18 1HG PRO 18 10.647 -8.764 -13.051 641 1HD PRO 18 2HD PRO 18 11.399 -9.257 -10.516 642 2HD PRO 18 1HD PRO 18 12.530 -8.630 -11.730 643 HA PRO 19 HA PRO 19 7.546 -5.155 -8.887 644 1HB PRO 19 2HB PRO 19 7.328 -6.894 -6.783 645 2HB PRO 19 1HB PRO 19 6.662 -7.260 -8.388 646 1HG PRO 19 2HG PRO 19 9.177 -8.214 -7.123 647 2HG PRO 19 1HG PRO 19 8.035 -9.081 -8.160 648 1HD PRO 19 2HD PRO 19 10.408 -8.080 -9.037 649 2HD PRO 19 1HD PRO 19 8.996 -8.313 -10.077 650 H GLU 20 H GLU 20 9.381 -3.568 -8.559 651 HA GLU 20 HA GLU 20 11.342 -3.615 -6.566 652 1HB GLU 20 2HB GLU 20 11.016 -1.059 -6.744 653 2HB GLU 20 1HB GLU 20 11.400 -1.948 -8.216 654 1HG GLU 20 2HG GLU 20 8.566 -1.997 -7.925 655 2HG GLU 20 1HG GLU 20 9.087 -0.338 -7.641 656 H CYS 21 H CYS 21 9.424 -4.740 -4.944 657 HA CYS 21 HA CYS 21 8.199 -2.586 -3.353 658 1HB CYS 21 2HB CYS 21 7.993 -4.893 -1.802 659 2HB CYS 21 1HB CYS 21 6.762 -4.256 -2.874 660 HG CYS 21 HG CYS 21 7.096 -6.189 -4.380 661 H ILE 22 H ILE 22 11.055 -4.627 -3.251 662 HA ILE 22 HA ILE 22 11.827 -3.800 -0.537 663 HB ILE 22 HB ILE 22 13.452 -5.020 -2.791 664 1HG1 ILE 22 2HG1 ILE 22 12.306 -6.899 -2.503 665 2HG1 ILE 22 1HG1 ILE 22 12.933 -7.001 -0.871 666 1HG2 ILE 22 1HG2 ILE 22 13.954 -4.381 0.052 667 2HG2 ILE 22 2HG2 ILE 22 15.076 -4.467 -1.308 668 3HG2 ILE 22 3HG2 ILE 22 14.539 -5.945 -0.508 669 1HD1 ILE 22 1HD1 ILE 22 10.931 -5.391 -0.295 670 2HD1 ILE 22 2HD1 ILE 22 10.621 -7.112 -0.503 671 3HD1 ILE 22 3HD1 ILE 22 10.258 -5.989 -1.811 672 H ASN 23 H ASN 23 13.208 -3.236 -3.787 673 HA ASN 23 HA ASN 23 15.052 -1.240 -2.877 674 1HB ASN 23 2HB ASN 23 15.325 -0.754 -5.236 675 2HB ASN 23 1HB ASN 23 15.145 -2.495 -5.040 676 1HD2 ASN 23 1HD2 ASN 23 14.379 -0.444 -7.280 677 2HD2 ASN 23 2HD2 ASN 23 12.779 -0.860 -7.647 678 H ASP 24 H ASP 24 11.810 -0.860 -4.410 679 HA ASP 24 HA ASP 24 11.742 1.993 -4.274 680 1HB ASP 24 2HB ASP 24 10.151 0.320 -5.420 681 2HB ASP 24 1HB ASP 24 9.420 0.095 -3.831 682 H LEU 25 H LEU 25 11.587 -0.520 -1.940 683 HA LEU 25 HA LEU 25 10.396 1.082 0.177 684 1HB LEU 25 2HB LEU 25 9.897 -1.131 0.453 685 2HB LEU 25 1HB LEU 25 11.365 -1.676 -0.299 686 HG LEU 25 HG LEU 25 12.261 -0.419 2.031 687 1HD1 LEU 25 1HD1 LEU 25 10.723 -0.490 3.609 688 2HD1 LEU 25 2HD1 LEU 25 10.468 -2.209 3.310 689 3HD1 LEU 25 3HD1 LEU 25 9.540 -1.012 2.408 690 1HD2 LEU 25 1HD2 LEU 25 12.645 -2.771 0.793 691 2HD2 LEU 25 2HD2 LEU 25 11.690 -3.316 2.173 692 3HD2 LEU 25 3HD2 LEU 25 13.199 -2.439 2.431 693 H LEU 26 H LEU 26 13.357 -0.701 -0.224 694 HA LEU 26 HA LEU 26 14.709 0.603 1.870 695 1HB LEU 26 2HB LEU 26 15.253 -1.617 1.342 696 2HB LEU 26 1HB LEU 26 15.347 -1.264 -0.370 697 HG LEU 26 HG LEU 26 17.303 0.120 0.003 698 1HD1 LEU 26 1HD1 LEU 26 16.396 -0.194 2.721 699 2HD1 LEU 26 2HD1 LEU 26 17.625 0.899 2.084 700 3HD1 LEU 26 3HD1 LEU 26 18.064 -0.733 2.573 701 1HD2 LEU 26 1HD2 LEU 26 17.173 -2.614 -0.070 702 2HD2 LEU 26 2HD2 LEU 26 18.093 -2.356 1.405 703 3HD2 LEU 26 3HD2 LEU 26 18.680 -1.703 -0.122 704 H GLN 27 H GLN 27 13.952 1.654 -1.213 705 HA GLN 27 HA GLN 27 16.332 3.084 -1.967 706 1HB GLN 27 2HB GLN 27 13.426 2.955 -2.603 707 2HB GLN 27 1HB GLN 27 14.290 4.409 -3.078 708 1HG GLN 27 2HG GLN 27 15.817 2.014 -3.672 709 2HG GLN 27 1HG GLN 27 14.245 1.986 -4.461 710 1HE2 GLN 27 1HE2 GLN 27 14.126 4.965 -4.690 711 2HE2 GLN 27 2HE2 GLN 27 15.221 5.382 -5.913 712 H ALA 28 H ALA 28 14.020 3.336 0.524 713 HA ALA 28 HA ALA 28 14.535 6.229 0.936 714 1HB ALA 28 1HB ALA 28 12.395 6.217 2.031 715 2HB ALA 28 2HB ALA 28 12.381 4.455 2.090 716 3HB ALA 28 3HB ALA 28 12.215 5.285 0.542 717 H VAL 29 H VAL 29 14.870 2.974 2.473 718 HA VAL 29 HA VAL 29 16.012 4.447 4.835 719 HB VAL 29 HB VAL 29 14.054 3.296 5.552 720 1HG1 VAL 29 1HG1 VAL 29 13.380 1.998 3.733 721 2HG1 VAL 29 2HG1 VAL 29 13.874 0.772 4.900 722 3HG1 VAL 29 3HG1 VAL 29 14.956 1.219 3.583 723 1HG2 VAL 29 1HG2 VAL 29 15.860 2.743 7.043 724 2HG2 VAL 29 2HG2 VAL 29 16.475 1.516 5.938 725 3HG2 VAL 29 3HG2 VAL 29 14.946 1.259 6.774 726 H ASP 30 H ASP 30 18.044 4.529 4.047 727 HA ASP 30 HA ASP 30 19.737 2.971 2.667 728 1HB ASP 30 2HB ASP 30 19.849 4.310 5.322 729 2HB ASP 30 1HB ASP 30 21.241 3.391 4.812 730 H SER 31 H SER 31 19.388 0.629 2.607 731 HA SER 31 HA SER 31 20.367 -0.683 5.044 732 1HB SER 31 2HB SER 31 17.818 0.137 4.948 733 2HB SER 31 1HB SER 31 17.594 -1.436 4.248 734 HG SER 31 HG SER 31 18.772 -0.666 6.709 735 H GLN 32 H GLN 32 21.720 -0.975 2.874 736 HA GLN 32 HA GLN 32 21.031 -2.647 0.756 737 1HB GLN 32 2HB GLN 32 23.277 -1.475 1.729 738 2HB GLN 32 1HB GLN 32 23.621 -3.158 2.127 739 1HG GLN 32 2HG GLN 32 23.832 -3.769 -0.066 740 2HG GLN 32 1HG GLN 32 22.546 -2.685 -0.593 741 1HE2 GLN 32 1HE2 GLN 32 23.104 -0.494 -1.140 742 2HE2 GLN 32 2HE2 GLN 32 24.714 0.000 -1.312 743 H GLU 33 H GLU 33 21.341 -3.483 4.140 744 HA GLU 33 HA GLU 33 21.768 -6.307 3.851 745 1HB GLU 33 2HB GLU 33 20.240 -4.696 5.923 746 2HB GLU 33 1HB GLU 33 20.820 -6.346 6.140 747 1HG GLU 33 2HG GLU 33 23.102 -5.054 5.311 748 2HG GLU 33 1HG GLU 33 22.307 -3.811 6.280 749 H VAL 34 H VAL 34 19.007 -4.204 3.512 750 HA VAL 34 HA VAL 34 17.014 -6.344 3.468 751 HB VAL 34 HB VAL 34 17.219 -3.394 3.364 752 1HG1 VAL 34 1HG1 VAL 34 15.155 -4.845 1.698 753 2HG1 VAL 34 2HG1 VAL 34 16.193 -3.501 1.226 754 3HG1 VAL 34 3HG1 VAL 34 14.867 -3.234 2.356 755 1HG2 VAL 34 1HG2 VAL 34 14.979 -5.227 4.269 756 2HG2 VAL 34 2HG2 VAL 34 15.247 -3.553 4.754 757 3HG2 VAL 34 3HG2 VAL 34 16.372 -4.805 5.265 758 H ARG 35 H ARG 35 18.712 -4.317 1.068 759 HA ARG 35 HA ARG 35 17.449 -5.617 -1.234 760 1HB ARG 35 2HB ARG 35 19.219 -3.455 -0.559 761 2HB ARG 35 1HB ARG 35 19.917 -4.407 -1.864 762 1HG ARG 35 2HG ARG 35 17.351 -4.244 -2.716 763 2HG ARG 35 1HG ARG 35 17.494 -2.706 -1.860 764 1HD ARG 35 2HD ARG 35 19.454 -2.098 -3.154 765 2HD ARG 35 1HD ARG 35 19.472 -3.695 -3.922 766 HE ARG 35 HE ARG 35 17.119 -3.063 -4.769 767 1HH1 ARG 35 1HH2 ARG 35 18.550 -0.436 -3.271 768 2HH1 ARG 35 2HH2 ARG 35 18.378 0.652 -4.608 769 1HH2 ARG 35 1HH1 ARG 35 17.320 -1.806 -6.814 770 2HH2 ARG 35 2HH1 ARG 35 17.681 -0.124 -6.615 771 H ASP 36 H ASP 36 20.598 -5.726 0.437 772 HA ASP 36 HA ASP 36 21.880 -7.697 -1.151 773 1HB ASP 36 2HB ASP 36 22.744 -6.220 0.808 774 2HB ASP 36 1HB ASP 36 22.057 -7.447 1.865 775 H TYR 37 H TYR 37 19.392 -7.733 1.208 776 HA TYR 37 HA TYR 37 19.282 -10.590 1.675 777 1HB TYR 37 2HB TYR 37 18.522 -9.308 3.436 778 2HB TYR 37 1HB TYR 37 17.816 -8.082 2.391 779 HD1 TYR 37 1HD TYR 37 15.757 -8.567 1.127 780 HD2 TYR 37 2HD TYR 37 17.250 -11.218 4.147 781 HE1 TYR 37 1HE TYR 37 13.608 -9.758 1.115 782 HE2 TYR 37 2HE TYR 37 15.079 -12.415 4.170 783 HH TYR 37 HH TYR 37 12.910 -12.301 3.500 784 H CYS 38 H CYS 38 17.331 -8.126 0.047 785 HA CYS 38 HA CYS 38 15.389 -9.699 -1.189 786 1HB CYS 38 2HB CYS 38 15.730 -7.177 -1.027 787 2HB CYS 38 1HB CYS 38 16.846 -7.334 -2.361 788 HG CYS 38 HG CYS 38 13.820 -8.041 -2.601 789 H GLU 39 H GLU 39 18.595 -8.775 -2.503 790 HA GLU 39 HA GLU 39 18.327 -10.501 -4.835 791 1HB GLU 39 2HB GLU 39 20.772 -9.896 -5.024 792 2HB GLU 39 1HB GLU 39 19.739 -8.482 -4.798 793 1HG GLU 39 2HG GLU 39 20.946 -7.956 -2.970 794 2HG GLU 39 1HG GLU 39 20.331 -9.429 -2.208 795 H LYS 40 H LYS 40 18.923 -11.012 -1.509 796 HA LYS 40 HA LYS 40 20.618 -13.387 -1.917 797 1HB LYS 40 2HB LYS 40 20.911 -12.011 0.113 798 2HB LYS 40 1HB LYS 40 19.200 -12.201 0.504 799 1HG LYS 40 2HG LYS 40 19.437 -14.509 0.954 800 2HG LYS 40 1HG LYS 40 21.029 -14.575 0.197 801 1HD LYS 40 2HD LYS 40 22.015 -14.031 2.147 802 2HD LYS 40 1HD LYS 40 21.035 -12.566 2.248 803 1HE LYS 40 2HE LYS 40 20.229 -13.629 4.138 804 2HE LYS 40 1HE LYS 40 19.165 -14.400 2.946 805 1HZ LYS 40 1HZ LYS 40 21.774 -15.605 3.110 806 2HZ LYS 40 2HZ LYS 40 20.240 -16.336 3.124 807 3HZ LYS 40 3HZ LYS 40 20.902 -15.719 4.561 808 H LYS 41 H LYS 41 17.419 -12.295 -1.319 809 HA LYS 41 HA LYS 41 16.067 -14.741 -0.776 810 1HB LYS 41 2HB LYS 41 15.194 -12.200 -2.139 811 2HB LYS 41 1HB LYS 41 14.145 -13.361 -1.371 812 1HG LYS 41 2HG LYS 41 15.763 -11.225 -0.231 813 2HG LYS 41 1HG LYS 41 14.271 -11.936 0.358 814 1HD LYS 41 2HD LYS 41 16.821 -13.508 0.513 815 2HD LYS 41 1HD LYS 41 16.440 -12.312 1.693 816 1HE LYS 41 2HE LYS 41 14.435 -13.424 2.350 817 2HE LYS 41 1HE LYS 41 14.491 -14.460 0.921 818 1HZ LYS 41 1HZ LYS 41 16.130 -14.561 3.350 819 2HZ LYS 41 2HZ LYS 41 16.858 -15.003 1.879 820 3HZ LYS 41 3HZ LYS 41 15.485 -15.836 2.436 821 H GLY 42 H GLY 42 16.204 -12.622 -3.536 822 1HA GLY 42 2HA GLY 42 16.983 -13.829 -5.645 823 2HA GLY 42 1HA GLY 42 15.602 -14.860 -5.368 824 H TRP 43 H TRP 43 16.239 -11.374 -5.384 825 HA TRP 43 HA TRP 43 14.048 -11.052 -7.382 826 1HB TRP 43 2HB TRP 43 14.864 -8.787 -5.641 827 2HB TRP 43 1HB TRP 43 13.365 -9.049 -6.434 828 HD1 TRP 43 HD TRP 43 14.869 -11.668 -4.171 829 HE1 TRP 43 1HE TRP 43 13.485 -11.883 -2.159 830 HE3 TRP 43 3HE TRP 43 11.548 -7.843 -4.826 831 HZ2 TRP 43 2HZ TRP 43 11.413 -10.718 -0.778 832 HZ3 TRP 43 3HZ TRP 43 9.871 -7.417 -3.083 833 HH2 TRP 43 HH TRP 43 9.758 -8.850 -1.052 834 H ILE 44 H ILE 44 16.703 -9.836 -5.735 835 HA ILE 44 HA ILE 44 18.781 -9.224 -6.434 836 HB ILE 44 HB ILE 44 17.722 -9.066 -9.226 837 1HG1 ILE 44 2HG1 ILE 44 19.041 -11.553 -8.338 838 2HG1 ILE 44 1HG1 ILE 44 17.437 -11.304 -7.706 839 1HG2 ILE 44 1HG2 ILE 44 19.913 -8.363 -9.379 840 2HG2 ILE 44 2HG2 ILE 44 20.262 -10.092 -9.311 841 3HG2 ILE 44 3HG2 ILE 44 20.356 -9.112 -7.842 842 1HD1 ILE 44 1HD1 ILE 44 17.990 -12.335 -10.198 843 2HD1 ILE 44 2HD1 ILE 44 17.683 -10.635 -10.550 844 3HD1 ILE 44 3HD1 ILE 44 16.456 -11.599 -9.728 845 H VAL 45 H VAL 45 16.206 -7.600 -6.248 846 HA VAL 45 HA VAL 45 15.875 -5.302 -7.559 847 HB VAL 45 HB VAL 45 15.721 -4.227 -5.270 848 1HG1 VAL 45 1HG1 VAL 45 14.460 -6.929 -5.724 849 2HG1 VAL 45 2HG1 VAL 45 13.811 -5.371 -6.234 850 3HG1 VAL 45 3HG1 VAL 45 13.912 -5.768 -4.517 851 1HG2 VAL 45 1HG2 VAL 45 16.595 -6.972 -4.375 852 2HG2 VAL 45 2HG2 VAL 45 16.120 -5.636 -3.329 853 3HG2 VAL 45 3HG2 VAL 45 17.600 -5.529 -4.279 854 H ASN 46 H ASN 46 17.718 -4.636 -8.791 855 HA ASN 46 HA ASN 46 19.365 -2.585 -7.740 856 1HB ASN 46 2HB ASN 46 20.433 -4.164 -6.326 857 2HB ASN 46 1HB ASN 46 20.427 -5.408 -7.575 858 1HD2 ASN 46 1HD2 ASN 46 22.734 -5.715 -7.583 859 2HD2 ASN 46 2HD2 ASN 46 23.804 -4.517 -8.128 860 H ILE 47 H ILE 47 19.101 -1.656 -9.819 861 HA ILE 47 HA ILE 47 20.491 -3.090 -12.061 862 HB ILE 47 HB ILE 47 18.084 -3.241 -12.333 863 1HG1 ILE 47 2HG1 ILE 47 18.796 -0.913 -14.097 864 2HG1 ILE 47 1HG1 ILE 47 19.675 -2.433 -14.270 865 1HG2 ILE 47 1HG2 ILE 47 17.178 -1.581 -10.945 866 2HG2 ILE 47 2HG2 ILE 47 16.857 -0.944 -12.558 867 3HG2 ILE 47 3HG2 ILE 47 18.212 -0.320 -11.616 868 1HD1 ILE 47 1HD1 ILE 47 17.962 -3.023 -15.643 869 2HD1 ILE 47 2HD1 ILE 47 16.893 -1.780 -14.995 870 3HD1 ILE 47 3HD1 ILE 47 17.081 -3.312 -14.144 871 H THR 48 H THR 48 22.264 -1.569 -11.075 872 HA THR 48 HA THR 48 22.095 1.067 -12.491 873 HB THR 48 HB THR 48 21.677 1.189 -10.005 874 HG1 THR 48 1HG THR 48 24.159 2.336 -10.722 875 1HG2 THR 48 1HG2 THR 48 23.388 0.625 -8.456 876 2HG2 THR 48 2HG2 THR 48 24.589 0.442 -9.733 877 3HG2 THR 48 3HG2 THR 48 23.296 -0.746 -9.560 878 H SER 49 H SER 49 23.322 -1.155 -13.650 879 HA SER 49 HA SER 49 26.197 -0.356 -13.528 880 1HB SER 49 2HB SER 49 25.980 -2.271 -12.066 881 2HB SER 49 1HB SER 49 25.003 -3.130 -13.253 882 HG SER 49 HG SER 49 27.277 -3.721 -13.183 883 H GLN 50 H GLN 50 23.802 -0.141 -15.474 884 HA GLN 50 HA GLN 50 25.299 -1.147 -17.851 885 1HB GLN 50 2HB GLN 50 23.188 -2.078 -18.728 886 2HB GLN 50 1HB GLN 50 23.596 -2.809 -17.175 887 1HG GLN 50 2HG GLN 50 22.038 -1.391 -16.012 888 2HG GLN 50 1HG GLN 50 21.754 -0.428 -17.460 889 1HE2 GLN 50 1HE2 GLN 50 20.765 -1.682 -19.368 890 2HE2 GLN 50 2HE2 GLN 50 19.678 -2.936 -19.009 891 H VAL 51 H VAL 51 25.310 1.522 -17.083 892 HA VAL 51 HA VAL 51 23.411 2.766 -19.046 893 HB VAL 51 HB VAL 51 22.763 3.291 -16.770 894 1HG1 VAL 51 1HG1 VAL 51 24.345 4.298 -15.179 895 2HG1 VAL 51 2HG1 VAL 51 25.638 4.175 -16.372 896 3HG1 VAL 51 3HG1 VAL 51 24.916 2.713 -15.699 897 1HG2 VAL 51 1HG2 VAL 51 23.526 5.829 -16.755 898 2HG2 VAL 51 2HG2 VAL 51 22.425 5.234 -17.997 899 3HG2 VAL 51 3HG2 VAL 51 24.140 5.428 -18.358 900 H GLN 52 H GLN 52 25.324 2.351 -20.541 901 HA GLN 52 HA GLN 52 27.261 3.108 -21.669 902 1HB GLN 52 2HB GLN 52 26.362 5.691 -20.350 903 2HB GLN 52 1HB GLN 52 27.298 5.543 -21.839 904 1HG GLN 52 2HG GLN 52 25.455 5.106 -23.084 905 2HG GLN 52 1HG GLN 52 24.805 3.994 -21.881 906 1HE2 GLN 52 1HE2 GLN 52 24.112 6.888 -23.367 907 2HE2 GLN 52 2HE2 GLN 52 23.179 7.614 -22.149 908 H THR 53 H THR 53 28.733 1.914 -20.219 909 HA THR 53 HA THR 53 30.280 3.750 -18.423 910 HB THR 53 HB THR 53 30.556 1.585 -17.024 911 HG1 THR 53 1HG THR 53 28.362 0.430 -17.486 912 1HG2 THR 53 1HG2 THR 53 27.779 2.780 -17.228 913 2HG2 THR 53 2HG2 THR 53 29.134 3.557 -16.407 914 3HG2 THR 53 3HG2 THR 53 28.504 2.023 -15.810 915 H GLU 54 H GLU 54 30.869 3.036 -21.187 916 HA GLU 54 HA GLU 54 32.699 2.270 -22.473 917 1HB GLU 54 2HB GLU 54 33.796 3.626 -20.666 918 2HB GLU 54 1HB GLU 54 33.976 2.146 -19.723 919 1HG GLU 54 2HG GLU 54 35.008 1.390 -22.156 920 2HG GLU 54 1HG GLU 54 35.511 3.079 -22.054 921 H ARG 55 H ARG 55 31.866 0.225 -23.131 922 HA ARG 55 HA ARG 55 32.540 -2.111 -21.376 923 1HB ARG 55 2HB ARG 55 30.800 -3.225 -22.865 924 2HB ARG 55 1HB ARG 55 30.186 -1.911 -21.859 925 1HG ARG 55 2HG ARG 55 31.226 -1.109 -24.517 926 2HG ARG 55 1HG ARG 55 29.745 -2.067 -24.533 927 1HD ARG 55 2HD ARG 55 29.893 0.177 -22.561 928 2HD ARG 55 1HD ARG 55 29.652 0.593 -24.270 929 HE ARG 55 HE ARG 55 27.959 -1.604 -23.306 930 1HH1 ARG 55 1HH1 ARG 55 27.655 0.709 -25.450 931 2HH1 ARG 55 2HH1 ARG 55 26.269 1.510 -24.790 932 1HH2 ARG 55 1HH2 ARG 55 26.460 -0.110 -21.730 933 2HH2 ARG 55 2HH2 ARG 55 25.593 1.047 -22.685 934 H ASN 56 H ASN 56 33.347 -4.055 -22.552 935 HA ASN 56 HA ASN 56 34.463 -3.583 -25.261 936 1HB ASN 56 2HB ASN 56 36.134 -2.670 -23.736 937 2HB ASN 56 1HB ASN 56 36.093 -4.141 -22.763 938 1HD2 ASN 56 1HD2 ASN 56 36.549 -3.285 -26.250 939 2HD2 ASN 56 2HD2 ASN 56 37.822 -4.379 -26.497 940 H ILE 57 H ILE 57 32.444 -5.400 -24.596 941 HA ILE 57 HA ILE 57 33.367 -8.018 -23.856 942 HB ILE 57 HB ILE 57 31.182 -8.694 -24.687 943 1HG1 ILE 57 2HG1 ILE 57 30.202 -6.237 -25.779 944 2HG1 ILE 57 1HG1 ILE 57 31.704 -6.646 -26.611 945 1HG2 ILE 57 1HG2 ILE 57 30.413 -5.981 -23.844 946 2HG2 ILE 57 2HG2 ILE 57 31.597 -6.748 -22.788 947 3HG2 ILE 57 3HG2 ILE 57 30.051 -7.537 -23.096 948 1HD1 ILE 57 1HD1 ILE 57 30.325 -7.958 -27.878 949 2HD1 ILE 57 2HD1 ILE 57 29.096 -8.059 -26.616 950 3HD1 ILE 57 3HD1 ILE 57 30.526 -9.090 -26.539 951 H ASN 58 H ASN 58 33.780 -6.181 -26.735 952 HA ASN 58 HA ASN 58 34.756 -6.737 -28.816 953 1HB ASN 58 2HB ASN 58 35.963 -8.213 -26.741 954 2HB ASN 58 1HB ASN 58 35.692 -9.373 -28.042 955 1HD2 ASN 58 1HD2 ASN 58 37.365 -9.432 -29.542 956 2HD2 ASN 58 2HD2 ASN 58 38.395 -8.133 -29.910 957 H ARG 59 H ARG 59 34.904 -8.945 -30.320 958 HA ARG 59 HA ARG 59 32.783 -10.857 -30.127 959 1HB ARG 59 2HB ARG 59 31.815 -8.347 -30.513 960 2HB ARG 59 1HB ARG 59 32.034 -8.854 -32.190 961 1HG ARG 59 2HG ARG 59 30.896 -11.089 -31.031 962 2HG ARG 59 1HG ARG 59 30.070 -9.763 -30.209 963 1HD ARG 59 2HD ARG 59 29.511 -8.754 -32.410 964 2HD ARG 59 1HD ARG 59 30.293 -10.128 -33.219 965 HE ARG 59 HE ARG 59 28.627 -11.514 -31.708 966 1HH1 ARG 59 1HH2 ARG 59 27.300 -8.780 -31.062 967 2HH1 ARG 59 2HH2 ARG 59 25.938 -8.845 -32.130 968 1HH2 ARG 59 1HH1 ARG 59 27.201 -11.471 -34.010 969 2HH2 ARG 59 2HH1 ARG 59 25.881 -10.369 -33.800 970 H ALA 60 H ALA 60 34.268 -12.298 -31.086 971 HA ALA 60 HA ALA 60 35.556 -13.283 -32.812 972 1HB ALA 60 1HB ALA 60 33.032 -12.288 -33.750 973 2HB ALA 60 2HB ALA 60 33.936 -13.687 -34.330 974 3HB ALA 60 3HB ALA 60 34.221 -12.097 -35.039 Start of MODEL 10 1 1H MET 1 1HT MET 1 -14.205 29.574 0.380 2 2H MET 1 2HT MET 1 -15.141 30.986 0.243 3 3H MET 1 3HT MET 1 -14.376 30.334 -1.127 4 HA MET 1 HA MET 1 -16.746 29.313 0.323 5 1HB MET 1 2HB MET 1 -16.927 30.960 -1.531 6 2HB MET 1 1HB MET 1 -16.035 29.858 -2.580 7 1HG MET 1 2HG MET 1 -17.795 28.153 -2.289 8 2HG MET 1 1HG MET 1 -18.690 29.256 -1.242 9 1HE MET 1 1HE MET 1 -20.494 31.147 -2.376 10 2HE MET 1 2HE MET 1 -20.606 29.412 -2.096 11 3HE MET 1 3HE MET 1 -21.159 30.087 -3.626 12 H GLY 2 H GLY 2 -16.106 27.245 1.027 13 1HA GLY 2 2HA GLY 2 -15.440 25.323 -1.137 14 2HA GLY 2 1HA GLY 2 -14.390 25.371 0.280 15 HA PRO 3 HA PRO 3 -18.503 23.064 1.086 16 1HB PRO 3 2HB PRO 3 -18.185 20.658 -0.163 17 2HB PRO 3 1HB PRO 3 -18.958 22.046 -0.957 18 1HG PRO 3 2HG PRO 3 -16.199 20.982 -1.263 19 2HG PRO 3 1HG PRO 3 -17.285 21.672 -2.481 20 1HD PRO 3 2HD PRO 3 -15.196 23.030 -1.326 21 2HD PRO 3 1HD PRO 3 -16.626 23.812 -2.034 22 H LEU 4 H LEU 4 -15.230 21.839 0.658 23 HA LEU 4 HA LEU 4 -15.141 20.881 3.452 24 1HB LEU 4 2HB LEU 4 -16.047 19.198 1.499 25 2HB LEU 4 1HB LEU 4 -14.315 18.885 1.418 26 HG LEU 4 HG LEU 4 -15.328 17.349 3.020 27 1HD1 LEU 4 1HD1 LEU 4 -13.638 19.586 4.143 28 2HD1 LEU 4 2HD1 LEU 4 -13.131 17.968 3.656 29 3HD1 LEU 4 3HD1 LEU 4 -14.085 18.188 5.122 30 1HD2 LEU 4 1HD2 LEU 4 -16.550 18.141 4.957 31 2HD2 LEU 4 2HD2 LEU 4 -17.287 18.856 3.523 32 3HD2 LEU 4 3HD2 LEU 4 -16.216 19.821 4.537 33 H GLN 5 H GLN 5 -13.730 22.946 1.947 34 HA GLN 5 HA GLN 5 -11.484 23.698 1.780 35 1HB GLN 5 2HB GLN 5 -11.477 21.905 3.788 36 2HB GLN 5 1HB GLN 5 -10.487 21.009 2.634 37 1HG GLN 5 2HG GLN 5 -8.735 22.446 2.833 38 2HG GLN 5 1HG GLN 5 -9.783 23.865 2.892 39 1HE2 GLN 5 1HE2 GLN 5 -10.007 21.039 5.076 40 2HE2 GLN 5 2HE2 GLN 5 -9.612 21.896 6.486 41 H TYR 6 H TYR 6 -12.983 21.420 0.004 42 HA TYR 6 HA TYR 6 -12.465 20.132 -1.910 43 1HB TYR 6 2HB TYR 6 -12.341 22.850 -2.193 44 2HB TYR 6 1HB TYR 6 -10.779 22.367 -2.855 45 HD1 TYR 6 1HD TYR 6 -10.636 21.547 -5.049 46 HD2 TYR 6 2HD TYR 6 -14.424 21.518 -3.022 47 HE1 TYR 6 1HE TYR 6 -11.744 20.792 -7.133 48 HE2 TYR 6 2HE TYR 6 -15.534 20.766 -5.108 49 HH TYR 6 HH TYR 6 -15.205 20.703 -7.446 50 H LYS 7 H LYS 7 -10.221 20.309 -3.614 51 HA LYS 7 HA LYS 7 -8.157 19.197 -3.899 52 1HB LYS 7 2HB LYS 7 -7.583 20.588 -1.266 53 2HB LYS 7 1HB LYS 7 -6.429 20.200 -2.544 54 1HG LYS 7 2HG LYS 7 -7.890 21.671 -4.072 55 2HG LYS 7 1HG LYS 7 -8.636 22.261 -2.586 56 1HD LYS 7 2HD LYS 7 -6.645 23.234 -1.818 57 2HD LYS 7 1HD LYS 7 -5.640 22.233 -2.867 58 1HE LYS 7 2HE LYS 7 -6.635 23.436 -4.854 59 2HE LYS 7 1HE LYS 7 -7.425 24.541 -3.711 60 1HZ LYS 7 1HZ LYS 7 -4.548 24.123 -4.193 61 2HZ LYS 7 2HZ LYS 7 -5.077 24.663 -2.672 62 3HZ LYS 7 3HZ LYS 7 -5.407 25.579 -4.064 63 H ASP 8 H ASP 8 -10.034 17.463 -2.797 64 HA ASP 8 HA ASP 8 -8.657 16.141 -0.497 65 1HB ASP 8 2HB ASP 8 -11.278 16.815 -0.969 66 2HB ASP 8 1HB ASP 8 -11.249 15.125 -1.478 67 H LEU 9 H LEU 9 -7.152 14.687 -1.259 68 HA LEU 9 HA LEU 9 -8.047 12.449 -2.926 69 1HB LEU 9 2HB LEU 9 -6.289 12.987 -4.684 70 2HB LEU 9 1HB LEU 9 -7.659 14.098 -4.651 71 HG LEU 9 HG LEU 9 -5.707 15.035 -2.784 72 1HD1 LEU 9 1HD1 LEU 9 -4.459 15.120 -5.474 73 2HD1 LEU 9 2HD1 LEU 9 -4.374 13.569 -4.640 74 3HD1 LEU 9 3HD1 LEU 9 -3.703 15.014 -3.884 75 1HD2 LEU 9 1HD2 LEU 9 -6.994 16.720 -3.665 76 2HD2 LEU 9 2HD2 LEU 9 -7.115 15.943 -5.243 77 3HD2 LEU 9 3HD2 LEU 9 -5.654 16.827 -4.806 78 H LYS 10 H LYS 10 -6.559 10.689 -2.774 79 HA LYS 10 HA LYS 10 -4.771 9.443 -1.851 80 1HB LYS 10 2HB LYS 10 -3.775 11.771 -2.925 81 2HB LYS 10 1HB LYS 10 -3.179 11.860 -1.266 82 1HG LYS 10 2HG LYS 10 -2.087 9.728 -1.456 83 2HG LYS 10 1HG LYS 10 -2.870 9.398 -3.002 84 1HD LYS 10 2HD LYS 10 -1.480 10.819 -4.170 85 2HD LYS 10 1HD LYS 10 -1.243 11.891 -2.789 86 1HE LYS 10 2HE LYS 10 0.263 10.296 -1.734 87 2HE LYS 10 1HE LYS 10 -0.064 9.099 -3.003 88 1HZ LYS 10 1HZ LYS 10 1.250 11.741 -3.291 89 2HZ LYS 10 2HZ LYS 10 0.645 10.873 -4.620 90 3HZ LYS 10 3HZ LYS 10 1.888 10.216 -3.668 91 H ILE 11 H ILE 11 -2.959 10.555 0.199 92 HA ILE 11 HA ILE 11 -2.978 10.212 2.580 93 HB ILE 11 HB ILE 11 -4.133 12.393 3.473 94 1HG1 ILE 11 2HG1 ILE 11 -3.855 13.226 0.597 95 2HG1 ILE 11 1HG1 ILE 11 -5.374 12.523 1.157 96 1HG2 ILE 11 1HG2 ILE 11 -2.144 13.582 2.944 97 2HG2 ILE 11 2HG2 ILE 11 -1.885 12.627 1.483 98 3HG2 ILE 11 3HG2 ILE 11 -1.701 11.880 3.071 99 1HD1 ILE 11 1HD1 ILE 11 -4.898 15.151 1.328 100 2HD1 ILE 11 2HD1 ILE 11 -4.166 14.650 2.852 101 3HD1 ILE 11 3HD1 ILE 11 -5.863 14.292 2.530 102 H ASP 12 H ASP 12 -5.180 8.637 1.545 103 HA ASP 12 HA ASP 12 -6.987 9.034 3.864 104 1HB ASP 12 2HB ASP 12 -7.708 9.973 1.499 105 2HB ASP 12 1HB ASP 12 -8.117 8.292 1.180 106 H ILE 13 H ILE 13 -6.933 6.862 1.024 107 HA ILE 13 HA ILE 13 -6.842 4.523 2.905 108 HB ILE 13 HB ILE 13 -8.050 3.360 1.061 109 1HG1 ILE 13 2HG1 ILE 13 -8.230 6.067 -0.276 110 2HG1 ILE 13 1HG1 ILE 13 -6.984 4.895 -0.708 111 1HG2 ILE 13 1HG2 ILE 13 -9.736 4.127 2.377 112 2HG2 ILE 13 2HG2 ILE 13 -10.004 5.284 1.074 113 3HG2 ILE 13 3HG2 ILE 13 -9.045 5.746 2.479 114 1HD1 ILE 13 1HD1 ILE 13 -9.734 3.811 -0.582 115 2HD1 ILE 13 2HD1 ILE 13 -8.463 3.520 -1.768 116 3HD1 ILE 13 3HD1 ILE 13 -9.448 4.979 -1.873 117 H LYS 14 H LYS 14 -6.397 2.812 0.451 118 HA LYS 14 HA LYS 14 -4.599 2.025 -0.877 119 1HB LYS 14 2HB LYS 14 -4.622 4.660 -1.246 120 2HB LYS 14 1HB LYS 14 -3.111 4.568 -0.342 121 1HG LYS 14 2HG LYS 14 -2.231 4.180 -2.420 122 2HG LYS 14 1HG LYS 14 -2.727 2.524 -2.070 123 1HD LYS 14 2HD LYS 14 -4.956 4.050 -3.120 124 2HD LYS 14 1HD LYS 14 -3.582 4.122 -4.224 125 1HE LYS 14 2HE LYS 14 -3.432 1.535 -3.814 126 2HE LYS 14 1HE LYS 14 -5.118 1.707 -3.284 127 1HZ LYS 14 1HZ LYS 14 -4.990 1.339 -5.680 128 2HZ LYS 14 2HZ LYS 14 -4.002 2.709 -5.853 129 3HZ LYS 14 3HZ LYS 14 -5.612 2.879 -5.338 130 H THR 15 H THR 15 -4.646 1.247 1.803 131 HA THR 15 HA THR 15 -1.758 1.393 2.611 132 HB THR 15 HB THR 15 -2.872 0.806 4.892 133 HG1 THR 15 1HG THR 15 -4.931 0.416 3.948 134 1HG2 THR 15 1HG2 THR 15 -2.703 3.030 5.428 135 2HG2 THR 15 2HG2 THR 15 -3.646 3.544 4.029 136 3HG2 THR 15 3HG2 THR 15 -1.952 3.093 3.833 137 H SER 16 H SER 16 -0.840 -0.567 1.956 138 HA SER 16 HA SER 16 -2.340 -2.959 1.513 139 1HB SER 16 2HB SER 16 0.623 -2.518 1.986 140 2HB SER 16 1HB SER 16 -0.084 -3.947 1.260 141 HG SER 16 HG SER 16 -0.698 -1.406 0.248 142 HA PRO 17 HA PRO 17 0.876 -4.026 2.758 143 1HB PRO 17 2HB PRO 17 2.071 -5.296 4.810 144 2HB PRO 17 1HB PRO 17 1.919 -3.540 4.777 145 1HG PRO 17 2HG PRO 17 0.705 -5.395 6.568 146 2HG PRO 17 1HG PRO 17 0.550 -3.634 6.546 147 1HD PRO 17 2HD PRO 17 -1.215 -5.682 5.343 148 2HD PRO 17 1HD PRO 17 -1.594 -4.093 5.987 149 HA PRO 18 HA PRO 18 -0.875 -8.439 3.362 150 1HB PRO 18 2HB PRO 18 -2.537 -8.731 1.201 151 2HB PRO 18 1HB PRO 18 -3.053 -8.161 2.812 152 1HG PRO 18 2HG PRO 18 -2.431 -6.559 0.380 153 2HG PRO 18 1HG PRO 18 -3.762 -6.399 1.534 154 1HD PRO 18 2HD PRO 18 -1.583 -4.826 1.656 155 2HD PRO 18 1HD PRO 18 -2.474 -5.329 3.104 156 HA PRO 19 HA PRO 19 1.447 -9.137 -0.685 157 1HB PRO 19 2HB PRO 19 2.652 -6.984 -1.872 158 2HB PRO 19 1HB PRO 19 1.020 -7.522 -2.313 159 1HG PRO 19 2HG PRO 19 1.867 -5.191 -0.730 160 2HG PRO 19 1HG PRO 19 0.404 -5.439 -1.688 161 1HD PRO 19 2HD PRO 19 0.641 -5.605 1.102 162 2HD PRO 19 1HD PRO 19 -0.756 -6.086 0.133 163 H GLU 20 H GLU 20 2.358 -9.591 1.546 164 HA GLU 20 HA GLU 20 4.232 -8.136 2.996 165 1HB GLU 20 2HB GLU 20 5.045 -10.540 3.578 166 2HB GLU 20 1HB GLU 20 3.375 -10.098 3.922 167 1HG GLU 20 2HG GLU 20 2.537 -11.381 2.171 168 2HG GLU 20 1HG GLU 20 4.038 -11.290 1.249 169 H CYS 21 H CYS 21 5.269 -7.363 0.560 170 HA CYS 21 HA CYS 21 7.565 -9.109 -0.044 171 1HB CYS 21 2HB CYS 21 8.090 -6.670 -1.292 172 2HB CYS 21 1HB CYS 21 7.364 -8.079 -2.037 173 HG CYS 21 HG CYS 21 4.987 -7.035 -1.490 174 H ILE 22 H ILE 22 6.872 -6.231 1.836 175 HA ILE 22 HA ILE 22 9.689 -5.624 2.409 176 HB ILE 22 HB ILE 22 7.129 -4.811 3.826 177 1HG1 ILE 22 2HG1 ILE 22 6.644 -3.576 2.047 178 2HG1 ILE 22 1HG1 ILE 22 8.081 -2.626 2.355 179 1HG2 ILE 22 1HG2 ILE 22 8.850 -2.754 4.135 180 2HG2 ILE 22 2HG2 ILE 22 9.983 -4.104 4.095 181 3HG2 ILE 22 3HG2 ILE 22 8.686 -4.075 5.293 182 1HD1 ILE 22 1HD1 ILE 22 9.311 -4.502 1.001 183 2HD1 ILE 22 2HD1 ILE 22 8.387 -3.286 0.122 184 3HD1 ILE 22 3HD1 ILE 22 7.700 -4.886 0.397 185 H ASN 23 H ASN 23 6.955 -6.798 4.398 186 HA ASN 23 HA ASN 23 8.621 -7.466 6.644 187 1HB ASN 23 2HB ASN 23 6.671 -8.639 7.444 188 2HB ASN 23 1HB ASN 23 6.129 -7.169 6.639 189 1HD2 ASN 23 1HD2 ASN 23 4.954 -10.070 7.004 190 2HD2 ASN 23 2HD2 ASN 23 4.421 -10.450 5.438 191 H ASP 24 H ASP 24 7.308 -9.590 4.023 192 HA ASP 24 HA ASP 24 8.596 -11.977 4.863 193 1HB ASP 24 2HB ASP 24 6.897 -11.569 2.977 194 2HB ASP 24 1HB ASP 24 8.263 -11.016 2.006 195 H LEU 25 H LEU 25 9.723 -9.013 3.531 196 HA LEU 25 HA LEU 25 12.308 -10.019 2.687 197 1HB LEU 25 2HB LEU 25 11.693 -8.227 1.420 198 2HB LEU 25 1HB LEU 25 10.761 -7.501 2.693 199 HG LEU 25 HG LEU 25 13.391 -7.352 3.645 200 1HD1 LEU 25 1HD1 LEU 25 13.829 -6.003 1.168 201 2HD1 LEU 25 2HD1 LEU 25 13.572 -7.726 0.885 202 3HD1 LEU 25 3HD1 LEU 25 14.838 -7.191 1.994 203 1HD2 LEU 25 1HD2 LEU 25 11.624 -5.345 2.256 204 2HD2 LEU 25 2HD2 LEU 25 13.135 -4.917 3.061 205 3HD2 LEU 25 3HD2 LEU 25 11.808 -5.613 3.992 206 H LEU 26 H LEU 26 11.214 -7.557 4.876 207 HA LEU 26 HA LEU 26 13.661 -7.329 6.235 208 1HB LEU 26 2HB LEU 26 12.275 -5.456 5.997 209 2HB LEU 26 1HB LEU 26 10.858 -6.343 6.531 210 HG LEU 26 HG LEU 26 11.849 -6.574 8.752 211 1HD1 LEU 26 1HD1 LEU 26 14.103 -5.482 7.266 212 2HD1 LEU 26 2HD1 LEU 26 14.092 -6.329 8.815 213 3HD1 LEU 26 3HD1 LEU 26 13.772 -4.603 8.747 214 1HD2 LEU 26 1HD2 LEU 26 12.057 -3.670 8.409 215 2HD2 LEU 26 2HD2 LEU 26 10.901 -4.598 9.362 216 3HD2 LEU 26 3HD2 LEU 26 10.634 -4.354 7.636 217 H GLN 27 H GLN 27 11.201 -9.652 6.600 218 HA GLN 27 HA GLN 27 11.258 -9.951 9.450 219 1HB GLN 27 2HB GLN 27 10.585 -11.676 7.056 220 2HB GLN 27 1HB GLN 27 10.429 -12.268 8.701 221 1HG GLN 27 2HG GLN 27 9.241 -9.613 8.153 222 2HG GLN 27 1HG GLN 27 8.430 -10.990 7.418 223 1HE2 GLN 27 1HE2 GLN 27 7.663 -9.185 9.767 224 2HE2 GLN 27 2HE2 GLN 27 7.325 -10.261 11.030 225 H ALA 28 H ALA 28 13.573 -10.337 6.999 226 HA ALA 28 HA ALA 28 15.102 -12.328 8.587 227 1HB ALA 28 1HB ALA 28 14.206 -12.351 5.956 228 2HB ALA 28 2HB ALA 28 15.440 -13.412 6.639 229 3HB ALA 28 3HB ALA 28 15.914 -11.923 5.818 230 H VAL 29 H VAL 29 15.234 -8.997 7.250 231 HA VAL 29 HA VAL 29 18.178 -9.091 7.803 232 HB VAL 29 HB VAL 29 17.925 -8.273 5.644 233 1HG1 VAL 29 1HG1 VAL 29 15.408 -6.891 6.597 234 2HG1 VAL 29 2HG1 VAL 29 15.507 -8.309 5.549 235 3HG1 VAL 29 3HG1 VAL 29 16.069 -6.747 4.970 236 1HG2 VAL 29 1HG2 VAL 29 18.389 -5.930 5.659 237 2HG2 VAL 29 2HG2 VAL 29 19.028 -6.558 7.175 238 3HG2 VAL 29 3HG2 VAL 29 17.494 -5.690 7.154 239 H ASP 30 H ASP 30 15.632 -8.620 9.615 240 HA ASP 30 HA ASP 30 15.219 -7.241 11.516 241 1HB ASP 30 2HB ASP 30 18.130 -7.758 11.141 242 2HB ASP 30 1HB ASP 30 17.671 -6.635 12.401 243 H SER 31 H SER 31 14.291 -5.332 10.409 244 HA SER 31 HA SER 31 16.120 -3.038 10.555 245 1HB SER 31 2HB SER 31 16.214 -4.725 8.427 246 2HB SER 31 1HB SER 31 15.035 -3.595 7.843 247 HG SER 31 HG SER 31 17.692 -3.180 8.711 248 H GLN 32 H GLN 32 13.984 -3.010 12.032 249 HA GLN 32 HA GLN 32 11.406 -2.600 11.104 250 1HB GLN 32 2HB GLN 32 12.595 -2.448 13.471 251 2HB GLN 32 1HB GLN 32 12.536 -0.718 13.141 252 1HG GLN 32 2HG GLN 32 10.317 -0.630 13.516 253 2HG GLN 32 1HG GLN 32 10.026 -2.023 12.472 254 1HE2 GLN 32 1HE2 GLN 32 8.553 -3.025 13.985 255 2HE2 GLN 32 2HE2 GLN 32 9.107 -3.698 15.436 256 H GLU 33 H GLU 33 14.177 -0.559 10.525 257 HA GLU 33 HA GLU 33 12.803 1.899 9.994 258 1HB GLU 33 2HB GLU 33 15.259 0.835 8.585 259 2HB GLU 33 1HB GLU 33 14.871 2.512 8.971 260 1HG GLU 33 2HG GLU 33 14.837 1.608 11.454 261 2HG GLU 33 1HG GLU 33 15.854 0.333 10.780 262 H VAL 34 H VAL 34 13.310 -1.055 8.132 263 HA VAL 34 HA VAL 34 12.317 0.087 5.628 264 HB VAL 34 HB VAL 34 13.556 -2.374 6.629 265 1HG1 VAL 34 1HG1 VAL 34 11.060 -2.622 4.962 266 2HG1 VAL 34 2HG1 VAL 34 11.624 -3.640 6.281 267 3HG1 VAL 34 3HG1 VAL 34 12.399 -3.740 4.705 268 1HG2 VAL 34 1HG2 VAL 34 13.213 -0.973 3.974 269 2HG2 VAL 34 2HG2 VAL 34 14.031 -2.525 4.085 270 3HG2 VAL 34 3HG2 VAL 34 14.672 -1.129 4.952 271 H ARG 35 H ARG 35 10.986 -1.924 8.263 272 HA ARG 35 HA ARG 35 8.327 -2.117 7.047 273 1HB ARG 35 2HB ARG 35 9.835 -3.041 9.326 274 2HB ARG 35 1HB ARG 35 8.241 -2.487 9.826 275 1HG ARG 35 2HG ARG 35 7.543 -3.886 7.636 276 2HG ARG 35 1HG ARG 35 8.982 -4.790 8.100 277 1HD ARG 35 2HD ARG 35 8.112 -5.194 10.311 278 2HD ARG 35 1HD ARG 35 6.746 -4.107 10.007 279 HE ARG 35 HE ARG 35 6.566 -5.904 7.930 280 1HH1 ARG 35 1HH2 ARG 35 7.380 -6.590 11.193 281 2HH1 ARG 35 2HH2 ARG 35 6.268 -7.907 11.336 282 1HH2 ARG 35 1HH1 ARG 35 4.890 -7.458 8.193 283 2HH2 ARG 35 2HH1 ARG 35 4.864 -8.398 9.647 284 H ASP 36 H ASP 36 9.902 -0.220 9.619 285 HA ASP 36 HA ASP 36 7.688 1.365 10.429 286 1HB ASP 36 2HB ASP 36 10.048 1.182 11.429 287 2HB ASP 36 1HB ASP 36 10.583 2.240 10.127 288 H TYR 37 H TYR 37 9.784 1.332 7.707 289 HA TYR 37 HA TYR 37 9.034 3.880 6.546 290 1HB TYR 37 2HB TYR 37 11.155 3.163 5.991 291 2HB TYR 37 1HB TYR 37 10.698 1.467 5.947 292 HD1 TYR 37 1HD TYR 37 9.322 0.599 4.083 293 HD2 TYR 37 2HD TYR 37 11.012 4.540 4.023 294 HE1 TYR 37 1HE TYR 37 8.825 0.754 1.684 295 HE2 TYR 37 2HE TYR 37 10.536 4.699 1.594 296 HH TYR 37 HH TYR 37 8.500 2.502 -0.023 297 H CYS 38 H CYS 38 8.544 0.442 5.864 298 HA CYS 38 HA CYS 38 6.750 0.572 3.730 299 1HB CYS 38 2HB CYS 38 7.953 -1.363 4.887 300 2HB CYS 38 1HB CYS 38 6.655 -1.335 6.059 301 HG CYS 38 HG CYS 38 6.176 -3.017 4.005 302 H GLU 39 H GLU 39 5.982 0.528 7.233 303 HA GLU 39 HA GLU 39 3.138 0.983 6.782 304 1HB GLU 39 2HB GLU 39 3.239 1.345 9.279 305 2HB GLU 39 1HB GLU 39 4.026 -0.156 8.780 306 1HG GLU 39 2HG GLU 39 5.918 0.564 9.764 307 2HG GLU 39 1HG GLU 39 5.985 1.864 8.569 308 H LYS 40 H LYS 40 5.949 2.908 6.563 309 HA LYS 40 HA LYS 40 4.615 5.412 7.366 310 1HB LYS 40 2HB LYS 40 7.070 5.022 7.718 311 2HB LYS 40 1HB LYS 40 7.264 4.861 5.972 312 1HG LYS 40 2HG LYS 40 6.926 7.103 5.579 313 2HG LYS 40 1HG LYS 40 5.917 7.311 7.012 314 1HD LYS 40 2HD LYS 40 7.699 7.777 8.329 315 2HD LYS 40 1HD LYS 40 8.640 6.453 7.635 316 1HE LYS 40 2HE LYS 40 9.734 8.582 7.094 317 2HE LYS 40 1HE LYS 40 9.050 7.896 5.607 318 1HZ LYS 40 1HZ LYS 40 8.330 10.142 5.723 319 2HZ LYS 40 2HZ LYS 40 7.855 9.983 7.347 320 3HZ LYS 40 3HZ LYS 40 6.990 9.183 6.122 321 H LYS 41 H LYS 41 5.638 3.503 4.696 322 HA LYS 41 HA LYS 41 5.068 5.204 2.492 323 1HB LYS 41 2HB LYS 41 4.870 2.212 2.831 324 2HB LYS 41 1HB LYS 41 5.070 3.058 1.319 325 1HG LYS 41 2HG LYS 41 7.024 2.343 3.362 326 2HG LYS 41 1HG LYS 41 7.240 2.557 1.634 327 1HD LYS 41 2HD LYS 41 6.762 4.958 3.362 328 2HD LYS 41 1HD LYS 41 8.323 4.237 3.269 329 1HE LYS 41 2HE LYS 41 8.472 4.591 0.904 330 2HE LYS 41 1HE LYS 41 6.751 4.979 0.814 331 1HZ LYS 41 1HZ LYS 41 8.003 7.019 0.877 332 2HZ LYS 41 2HZ LYS 41 8.844 6.515 2.264 333 3HZ LYS 41 3HZ LYS 41 7.180 6.846 2.349 334 H GLY 42 H GLY 42 3.434 2.435 3.846 335 1HA GLY 42 2HA GLY 42 1.031 2.959 4.514 336 2HA GLY 42 1HA GLY 42 0.831 3.404 2.840 337 H TRP 43 H TRP 43 2.284 0.681 4.600 338 HA TRP 43 HA TRP 43 0.532 -1.156 3.029 339 1HB TRP 43 2HB TRP 43 3.048 -2.140 4.268 340 2HB TRP 43 1HB TRP 43 2.194 -2.774 2.921 341 HD1 TRP 43 HD TRP 43 3.233 0.853 3.045 342 HE1 TRP 43 1HE TRP 43 4.977 1.251 1.373 343 HE3 TRP 43 3HE TRP 43 4.137 -3.900 1.394 344 HZ2 TRP 43 2HZ TRP 43 6.690 -0.022 -0.370 345 HZ3 TRP 43 3HZ TRP 43 5.892 -4.259 -0.288 346 HH2 TRP 43 HH TRP 43 7.175 -2.336 -1.211 347 H ILE 44 H ILE 44 2.554 -0.564 5.633 348 HA ILE 44 HA ILE 44 2.170 -0.527 7.868 349 HB ILE 44 HB ILE 44 -0.309 -2.138 7.412 350 1HG1 ILE 44 2HG1 ILE 44 -0.494 0.813 7.587 351 2HG1 ILE 44 1HG1 ILE 44 0.128 0.191 6.086 352 1HG2 ILE 44 1HG2 ILE 44 -0.070 -1.928 9.711 353 2HG2 ILE 44 2HG2 ILE 44 -0.834 -0.368 9.404 354 3HG2 ILE 44 3HG2 ILE 44 0.925 -0.474 9.570 355 1HD1 ILE 44 1HD1 ILE 44 -2.539 0.394 6.674 356 2HD1 ILE 44 2HD1 ILE 44 -2.201 -1.280 7.111 357 3HD1 ILE 44 3HD1 ILE 44 -1.862 -0.712 5.475 358 H VAL 45 H VAL 45 3.020 -2.839 6.048 359 HA VAL 45 HA VAL 45 2.776 -5.388 6.887 360 HB VAL 45 HB VAL 45 5.294 -5.501 6.620 361 1HG1 VAL 45 1HG1 VAL 45 3.868 -5.740 4.680 362 2HG1 VAL 45 2HG1 VAL 45 5.242 -4.723 4.252 363 3HG1 VAL 45 3HG1 VAL 45 3.675 -3.992 4.574 364 1HG2 VAL 45 1HG2 VAL 45 4.963 -2.528 6.227 365 2HG2 VAL 45 2HG2 VAL 45 6.448 -3.441 5.979 366 3HG2 VAL 45 3HG2 VAL 45 5.774 -3.280 7.597 367 H ASN 46 H ASN 46 2.098 -5.637 9.110 368 HA ASN 46 HA ASN 46 4.336 -5.480 11.065 369 1HB ASN 46 2HB ASN 46 3.333 -3.356 11.363 370 2HB ASN 46 1HB ASN 46 1.705 -4.001 11.155 371 1HD2 ASN 46 1HD2 ASN 46 1.072 -3.116 13.275 372 2HD2 ASN 46 2HD2 ASN 46 1.588 -3.861 14.711 373 H ILE 47 H ILE 47 4.150 -7.020 12.716 374 HA ILE 47 HA ILE 47 2.393 -9.278 12.265 375 HB ILE 47 HB ILE 47 4.627 -9.531 13.183 376 1HG1 ILE 47 2HG1 ILE 47 4.122 -10.797 15.248 377 2HG1 ILE 47 1HG1 ILE 47 2.536 -10.026 15.330 378 1HG2 ILE 47 1HG2 ILE 47 3.877 -7.201 14.652 379 2HG2 ILE 47 2HG2 ILE 47 5.458 -7.980 14.583 380 3HG2 ILE 47 3HG2 ILE 47 4.293 -8.460 15.816 381 1HD1 ILE 47 1HD1 ILE 47 3.317 -11.440 12.807 382 2HD1 ILE 47 2HD1 ILE 47 1.715 -11.200 13.504 383 3HD1 ILE 47 3HD1 ILE 47 2.806 -12.401 14.195 384 H THR 48 H THR 48 0.262 -9.292 12.856 385 HA THR 48 HA THR 48 -0.503 -8.176 15.502 386 HB THR 48 HB THR 48 -2.460 -7.409 13.529 387 HG1 THR 48 1HG THR 48 -0.771 -7.390 12.057 388 1HG2 THR 48 1HG2 THR 48 -2.250 -6.311 15.667 389 2HG2 THR 48 2HG2 THR 48 -1.860 -5.129 14.418 390 3HG2 THR 48 3HG2 THR 48 -0.567 -5.894 15.341 391 H SER 49 H SER 49 -3.331 -8.413 14.957 392 HA SER 49 HA SER 49 -3.852 -11.122 13.957 393 1HB SER 49 2HB SER 49 -2.866 -11.662 16.091 394 2HB SER 49 1HB SER 49 -3.818 -10.425 16.907 395 HG SER 49 HG SER 49 -4.478 -12.855 16.779 396 H GLN 50 H GLN 50 -5.375 -9.203 16.556 397 HA GLN 50 HA GLN 50 -7.668 -8.626 14.727 398 1HB GLN 50 2HB GLN 50 -7.954 -10.733 16.120 399 2HB GLN 50 1HB GLN 50 -7.912 -9.702 17.550 400 1HG GLN 50 2HG GLN 50 -9.745 -8.625 15.584 401 2HG GLN 50 1HG GLN 50 -10.161 -10.296 15.966 402 1HE2 GLN 50 1HE2 GLN 50 -11.044 -10.735 18.043 403 2HE2 GLN 50 2HE2 GLN 50 -11.306 -9.539 19.218 404 H VAL 51 H VAL 51 -7.549 -6.392 14.734 405 HA VAL 51 HA VAL 51 -7.386 -5.034 17.407 406 HB VAL 51 HB VAL 51 -6.475 -4.014 14.699 407 1HG1 VAL 51 1HG1 VAL 51 -5.817 -3.127 17.526 408 2HG1 VAL 51 2HG1 VAL 51 -6.961 -2.315 16.458 409 3HG1 VAL 51 3HG1 VAL 51 -5.249 -2.372 16.037 410 1HG2 VAL 51 1HG2 VAL 51 -5.065 -5.865 15.103 411 2HG2 VAL 51 2HG2 VAL 51 -5.060 -5.594 16.845 412 3HG2 VAL 51 3HG2 VAL 51 -4.163 -4.510 15.781 413 H GLN 52 H GLN 52 -9.788 -5.178 17.415 414 HA GLN 52 HA GLN 52 -11.458 -4.062 15.380 415 1HB GLN 52 2HB GLN 52 -11.975 -4.091 18.364 416 2HB GLN 52 1HB GLN 52 -13.154 -4.255 17.061 417 1HG GLN 52 2HG GLN 52 -11.170 -6.278 16.703 418 2HG GLN 52 1HG GLN 52 -11.691 -6.323 18.387 419 1HE2 GLN 52 1HE2 GLN 52 -13.812 -7.096 18.835 420 2HE2 GLN 52 2HE2 GLN 52 -14.892 -7.610 17.631 421 H THR 53 H THR 53 -11.321 -1.956 14.705 422 HA THR 53 HA THR 53 -11.039 0.174 16.800 423 HB THR 53 HB THR 53 -9.628 1.371 15.128 424 HG1 THR 53 1HG THR 53 -9.028 0.279 13.274 425 1HG2 THR 53 1HG2 THR 53 -8.355 -1.311 15.298 426 2HG2 THR 53 2HG2 THR 53 -8.857 -0.573 16.819 427 3HG2 THR 53 3HG2 THR 53 -7.722 0.268 15.765 428 H GLU 54 H GLU 54 -11.687 2.358 15.800 429 HA GLU 54 HA GLU 54 -13.699 2.263 13.672 430 1HB GLU 54 2HB GLU 54 -15.083 3.246 15.978 431 2HB GLU 54 1HB GLU 54 -15.481 1.842 15.000 432 1HG GLU 54 2HG GLU 54 -14.223 0.388 16.403 433 2HG GLU 54 1HG GLU 54 -13.397 1.736 17.187 434 H ARG 55 H ARG 55 -12.896 4.123 12.696 435 HA ARG 55 HA ARG 55 -12.267 6.486 14.393 436 1HB ARG 55 2HB ARG 55 -11.515 5.379 11.761 437 2HB ARG 55 1HB ARG 55 -11.694 7.135 11.787 438 1HG ARG 55 2HG ARG 55 -10.303 6.845 14.059 439 2HG ARG 55 1HG ARG 55 -9.725 5.409 13.213 440 1HD ARG 55 2HD ARG 55 -9.777 7.692 11.416 441 2HD ARG 55 1HD ARG 55 -8.786 8.031 12.849 442 HE ARG 55 HE ARG 55 -8.099 5.431 12.139 443 1HH1 ARG 55 1HH2 ARG 55 -8.311 8.439 10.462 444 2HH1 ARG 55 2HH2 ARG 55 -6.937 8.125 9.456 445 1HH2 ARG 55 1HH1 ARG 55 -6.257 5.042 10.889 446 2HH2 ARG 55 2HH1 ARG 55 -5.773 6.204 9.698 447 H ASN 56 H ASN 56 -14.025 5.871 11.319 448 HA ASN 56 HA ASN 56 -15.517 8.370 11.542 449 1HB ASN 56 2HB ASN 56 -15.025 6.208 9.654 450 2HB ASN 56 1HB ASN 56 -16.727 6.672 9.664 451 1HD2 ASN 56 1HD2 ASN 56 -17.162 9.089 9.404 452 2HD2 ASN 56 2HD2 ASN 56 -16.080 10.000 8.464 453 H ILE 57 H ILE 57 -17.190 8.561 12.981 454 HA ILE 57 HA ILE 57 -18.691 6.134 13.819 455 HB ILE 57 HB ILE 57 -18.844 8.999 14.802 456 1HG1 ILE 57 2HG1 ILE 57 -17.373 7.206 16.524 457 2HG1 ILE 57 1HG1 ILE 57 -16.641 7.226 14.918 458 1HG2 ILE 57 1HG2 ILE 57 -20.596 7.094 15.352 459 2HG2 ILE 57 2HG2 ILE 57 -20.015 8.163 16.629 460 3HG2 ILE 57 3HG2 ILE 57 -19.334 6.545 16.456 461 1HD1 ILE 57 1HD1 ILE 57 -17.399 9.905 15.709 462 2HD1 ILE 57 2HD1 ILE 57 -15.808 9.290 15.260 463 3HD1 ILE 57 3HD1 ILE 57 -16.358 9.177 16.932 464 H ASN 58 H ASN 58 -19.206 6.951 11.152 465 HA ASN 58 HA ASN 58 -22.061 7.182 11.142 466 1HB ASN 58 2HB ASN 58 -20.450 9.633 11.339 467 2HB ASN 58 1HB ASN 58 -21.592 9.660 9.994 468 1HD2 ASN 58 1HD2 ASN 58 -22.382 11.451 11.752 469 2HD2 ASN 58 2HD2 ASN 58 -23.589 10.892 12.805 470 H ARG 59 H ARG 59 -19.248 8.375 9.255 471 HA ARG 59 HA ARG 59 -20.476 7.644 6.709 472 1HB ARG 59 2HB ARG 59 -18.886 9.545 7.126 473 2HB ARG 59 1HB ARG 59 -17.610 8.357 7.404 474 1HG ARG 59 2HG ARG 59 -17.365 7.935 5.191 475 2HG ARG 59 1HG ARG 59 -19.108 7.897 4.921 476 1HD ARG 59 2HD ARG 59 -18.772 10.553 5.395 477 2HD ARG 59 1HD ARG 59 -17.212 10.163 4.643 478 HE ARG 59 HE ARG 59 -19.856 9.514 3.389 479 1HH1 ARG 59 1HH1 ARG 59 -17.675 11.770 2.796 480 2HH1 ARG 59 2HH1 ARG 59 -17.075 11.160 1.291 481 1HH2 ARG 59 1HH2 ARG 59 -18.578 8.055 1.648 482 2HH2 ARG 59 2HH2 ARG 59 -17.586 9.055 0.641 483 H ALA 60 H ALA 60 -20.545 5.329 8.188 484 HA ALA 60 HA ALA 60 -19.927 3.050 8.063 485 1HB ALA 60 1HB ALA 60 -19.127 2.384 5.930 486 2HB ALA 60 2HB ALA 60 -18.245 3.895 5.700 487 3HB ALA 60 3HB ALA 60 -20.007 3.879 5.606 488 1H MET 1 1HT MET 1 41.373 -17.016 -8.428 489 2H MET 1 2HT MET 1 40.634 -15.532 -8.801 490 3H MET 1 3HT MET 1 42.277 -15.582 -8.373 491 HA MET 1 HA MET 1 41.556 -15.414 -10.882 492 1HB MET 1 2HB MET 1 43.807 -15.683 -9.556 493 2HB MET 1 1HB MET 1 43.714 -17.359 -10.099 494 1HG MET 1 2HG MET 1 43.118 -15.908 -12.392 495 2HG MET 1 1HG MET 1 44.382 -14.952 -11.620 496 1HE MET 1 1HE MET 1 45.126 -17.619 -14.581 497 2HE MET 1 2HE MET 1 45.998 -16.124 -14.251 498 3HE MET 1 3HE MET 1 44.237 -16.136 -14.205 499 H GLY 2 H GLY 2 42.410 -18.683 -9.682 500 1HA GLY 2 2HA GLY 2 40.082 -19.885 -10.965 501 2HA GLY 2 1HA GLY 2 41.586 -20.202 -11.830 502 HA PRO 3 HA PRO 3 42.348 -22.213 -7.579 503 1HB PRO 3 2HB PRO 3 40.478 -21.879 -5.620 504 2HB PRO 3 1HB PRO 3 41.787 -20.710 -5.888 505 1HG PRO 3 2HG PRO 3 38.934 -20.591 -6.743 506 2HG PRO 3 1HG PRO 3 39.977 -19.303 -6.106 507 1HD PRO 3 2HD PRO 3 39.411 -19.598 -8.755 508 2HD PRO 3 1HD PRO 3 40.921 -18.878 -8.156 509 H LEU 4 H LEU 4 39.001 -21.955 -8.612 510 HA LEU 4 HA LEU 4 38.742 -24.850 -8.980 511 1HB LEU 4 2HB LEU 4 38.304 -23.780 -6.455 512 2HB LEU 4 1HB LEU 4 36.686 -23.848 -7.137 513 HG LEU 4 HG LEU 4 37.095 -25.965 -6.047 514 1HD1 LEU 4 1HD1 LEU 4 36.098 -27.011 -7.771 515 2HD1 LEU 4 2HD1 LEU 4 37.638 -27.118 -8.622 516 3HD1 LEU 4 3HD1 LEU 4 36.607 -25.703 -8.838 517 1HD2 LEU 4 1HD2 LEU 4 39.558 -25.822 -5.992 518 2HD2 LEU 4 2HD2 LEU 4 39.618 -26.080 -7.735 519 3HD2 LEU 4 3HD2 LEU 4 39.042 -27.365 -6.673 520 H GLN 5 H GLN 5 38.452 -22.833 -10.875 521 HA GLN 5 HA GLN 5 36.892 -21.832 -12.360 522 1HB GLN 5 2HB GLN 5 36.287 -24.546 -11.786 523 2HB GLN 5 1HB GLN 5 34.744 -23.692 -11.809 524 1HG GLN 5 2HG GLN 5 34.837 -23.361 -14.047 525 2HG GLN 5 1HG GLN 5 36.532 -22.877 -13.984 526 1HE2 GLN 5 1HE2 GLN 5 34.490 -25.319 -15.107 527 2HE2 GLN 5 2HE2 GLN 5 35.639 -26.557 -15.272 528 H TYR 6 H TYR 6 36.862 -21.175 -9.405 529 HA TYR 6 HA TYR 6 34.495 -20.843 -8.108 530 1HB TYR 6 2HB TYR 6 36.951 -19.816 -7.890 531 2HB TYR 6 1HB TYR 6 36.145 -18.386 -8.537 532 HD1 TYR 6 1HD TYR 6 33.784 -17.855 -7.415 533 HD2 TYR 6 2HD TYR 6 36.928 -20.137 -5.583 534 HE1 TYR 6 1HE TYR 6 32.822 -17.384 -5.178 535 HE2 TYR 6 2HE TYR 6 35.968 -19.666 -3.345 536 HH TYR 6 HH TYR 6 33.537 -19.067 -2.477 537 H LYS 7 H LYS 7 32.488 -20.179 -8.788 538 HA LYS 7 HA LYS 7 31.859 -17.691 -9.945 539 1HB LYS 7 2HB LYS 7 33.016 -19.648 -11.767 540 2HB LYS 7 1HB LYS 7 31.415 -19.136 -12.306 541 1HG LYS 7 2HG LYS 7 32.679 -16.783 -11.439 542 2HG LYS 7 1HG LYS 7 33.912 -17.659 -12.345 543 1HD LYS 7 2HD LYS 7 31.282 -17.730 -13.636 544 2HD LYS 7 1HD LYS 7 31.920 -16.096 -13.461 545 1HE LYS 7 2HE LYS 7 34.095 -16.923 -14.462 546 2HE LYS 7 1HE LYS 7 33.263 -18.447 -14.829 547 1HZ LYS 7 1HZ LYS 7 31.571 -17.223 -16.020 548 2HZ LYS 7 2HZ LYS 7 33.098 -16.861 -16.674 549 3HZ LYS 7 3HZ LYS 7 32.323 -15.748 -15.648 550 H ASP 8 H ASP 8 30.713 -19.615 -8.117 551 HA ASP 8 HA ASP 8 28.158 -20.311 -9.532 552 1HB ASP 8 2HB ASP 8 29.774 -21.586 -7.330 553 2HB ASP 8 1HB ASP 8 28.052 -21.938 -7.481 554 H LEU 9 H LEU 9 26.592 -18.842 -8.968 555 HA LEU 9 HA LEU 9 26.762 -17.495 -6.318 556 1HB LEU 9 2HB LEU 9 25.114 -16.990 -8.816 557 2HB LEU 9 1HB LEU 9 25.139 -15.946 -7.394 558 HG LEU 9 HG LEU 9 27.555 -16.645 -9.090 559 1HD1 LEU 9 1HD1 LEU 9 26.396 -15.134 -10.427 560 2HD1 LEU 9 2HD1 LEU 9 27.341 -14.031 -9.426 561 3HD1 LEU 9 3HD1 LEU 9 25.645 -14.332 -9.048 562 1HD2 LEU 9 1HD2 LEU 9 28.205 -14.448 -7.600 563 2HD2 LEU 9 2HD2 LEU 9 28.594 -16.103 -7.129 564 3HD2 LEU 9 3HD2 LEU 9 27.158 -15.314 -6.475 565 H LYS 10 H LYS 10 24.258 -16.900 -5.672 566 HA LYS 10 HA LYS 10 22.844 -19.539 -5.467 567 1HB LYS 10 2HB LYS 10 22.223 -18.833 -3.243 568 2HB LYS 10 1HB LYS 10 23.952 -18.531 -3.419 569 1HG LYS 10 2HG LYS 10 23.065 -16.176 -4.314 570 2HG LYS 10 1HG LYS 10 21.694 -16.589 -3.286 571 1HD LYS 10 2HD LYS 10 23.048 -15.534 -1.733 572 2HD LYS 10 1HD LYS 10 23.619 -17.193 -1.555 573 1HE LYS 10 2HE LYS 10 25.144 -16.222 -3.673 574 2HE LYS 10 1HE LYS 10 25.060 -14.851 -2.548 575 1HZ LYS 10 1HZ LYS 10 25.558 -16.456 -0.735 576 2HZ LYS 10 2HZ LYS 10 26.835 -16.260 -1.838 577 3HZ LYS 10 3HZ LYS 10 25.851 -17.643 -1.912 578 H ILE 11 H ILE 11 22.207 -18.042 -7.688 579 HA ILE 11 HA ILE 11 19.531 -16.904 -6.963 580 HB ILE 11 HB ILE 11 20.034 -15.269 -8.866 581 1HG1 ILE 11 2HG1 ILE 11 22.930 -15.765 -8.411 582 2HG1 ILE 11 1HG1 ILE 11 22.094 -16.935 -9.433 583 1HG2 ILE 11 1HG2 ILE 11 20.293 -14.897 -6.337 584 2HG2 ILE 11 2HG2 ILE 11 21.086 -13.768 -7.433 585 3HG2 ILE 11 3HG2 ILE 11 22.023 -15.033 -6.640 586 1HD1 ILE 11 1HD1 ILE 11 21.539 -14.057 -9.960 587 2HD1 ILE 11 2HD1 ILE 11 21.684 -15.400 -11.094 588 3HD1 ILE 11 3HD1 ILE 11 23.132 -14.657 -10.416 589 H ASP 12 H ASP 12 19.762 -16.405 -10.124 590 HA ASP 12 HA ASP 12 19.055 -17.498 -12.031 591 1HB ASP 12 2HB ASP 12 20.922 -19.089 -10.761 592 2HB ASP 12 1HB ASP 12 19.568 -20.196 -10.984 593 H ILE 13 H ILE 13 18.296 -19.916 -9.506 594 HA ILE 13 HA ILE 13 15.744 -20.635 -10.507 595 HB ILE 13 HB ILE 13 15.458 -21.571 -8.226 596 1HG1 ILE 13 2HG1 ILE 13 17.777 -21.023 -6.876 597 2HG1 ILE 13 1HG1 ILE 13 17.458 -19.472 -7.653 598 1HG2 ILE 13 1HG2 ILE 13 17.569 -22.893 -8.181 599 2HG2 ILE 13 2HG2 ILE 13 18.269 -21.774 -9.351 600 3HG2 ILE 13 3HG2 ILE 13 16.889 -22.774 -9.803 601 1HD1 ILE 13 1HD1 ILE 13 15.835 -19.034 -6.159 602 2HD1 ILE 13 2HD1 ILE 13 16.189 -20.559 -5.348 603 3HD1 ILE 13 3HD1 ILE 13 14.985 -20.505 -6.635 604 H LYS 14 H LYS 14 14.016 -19.290 -10.748 605 HA LYS 14 HA LYS 14 12.558 -17.451 -10.381 606 1HB LYS 14 2HB LYS 14 12.631 -19.357 -8.301 607 2HB LYS 14 1HB LYS 14 12.534 -17.786 -7.505 608 1HG LYS 14 2HG LYS 14 10.297 -18.011 -7.899 609 2HG LYS 14 1HG LYS 14 10.726 -17.435 -9.509 610 1HD LYS 14 2HD LYS 14 10.327 -19.453 -10.463 611 2HD LYS 14 1HD LYS 14 11.124 -20.325 -9.153 612 1HE LYS 14 2HE LYS 14 8.395 -19.064 -8.786 613 2HE LYS 14 1HE LYS 14 8.598 -20.727 -9.376 614 1HZ LYS 14 1HZ LYS 14 9.219 -19.600 -6.758 615 2HZ LYS 14 2HZ LYS 14 10.318 -20.743 -7.373 616 3HZ LYS 14 3HZ LYS 14 8.683 -21.157 -7.165 617 H THR 15 H THR 15 13.814 -15.578 -10.817 618 HA THR 15 HA THR 15 14.889 -14.199 -8.392 619 HB THR 15 HB THR 15 16.711 -13.397 -10.025 620 HG1 THR 15 1HG THR 15 15.727 -15.687 -11.374 621 1HG2 THR 15 1HG2 THR 15 18.104 -15.081 -9.263 622 2HG2 THR 15 2HG2 THR 15 16.907 -16.344 -9.554 623 3HG2 THR 15 3HG2 THR 15 16.738 -15.270 -8.163 624 H SER 16 H SER 16 13.407 -12.489 -8.231 625 HA SER 16 HA SER 16 12.046 -11.326 -10.460 626 1HB SER 16 2HB SER 16 12.614 -10.272 -7.671 627 2HB SER 16 1HB SER 16 11.387 -9.643 -8.756 628 HG SER 16 HG SER 16 11.540 -12.116 -7.442 629 HA PRO 17 HA PRO 17 12.730 -8.632 -8.124 630 1HB PRO 17 2HB PRO 17 14.087 -6.327 -7.847 631 2HB PRO 17 1HB PRO 17 14.768 -7.861 -7.317 632 1HG PRO 17 2HG PRO 17 15.657 -6.149 -9.416 633 2HG PRO 17 1HG PRO 17 16.355 -7.685 -8.892 634 1HD PRO 17 2HD PRO 17 14.440 -7.152 -11.080 635 2HD PRO 17 1HD PRO 17 15.670 -8.396 -10.924 636 HA PRO 18 HA PRO 18 11.547 -5.426 -11.471 637 1HB PRO 18 2HB PRO 18 9.442 -6.639 -12.747 638 2HB PRO 18 1HB PRO 18 11.146 -6.739 -13.270 639 1HG PRO 18 2HG PRO 18 9.561 -8.711 -11.695 640 2HG PRO 18 1HG PRO 18 10.664 -8.972 -13.054 641 1HD PRO 18 2HD PRO 18 11.448 -9.365 -10.516 642 2HD PRO 18 1HD PRO 18 12.554 -8.749 -11.758 643 HA PRO 19 HA PRO 19 7.566 -5.353 -8.952 644 1HB PRO 19 2HB PRO 19 7.323 -7.100 -6.858 645 2HB PRO 19 1HB PRO 19 6.707 -7.469 -8.480 646 1HG PRO 19 2HG PRO 19 9.078 -8.513 -7.089 647 2HG PRO 19 1HG PRO 19 8.103 -9.244 -8.367 648 1HD PRO 19 2HD PRO 19 10.601 -7.999 -8.650 649 2HD PRO 19 1HD PRO 19 9.527 -8.517 -9.954 650 H GLU 20 H GLU 20 9.426 -3.782 -8.633 651 HA GLU 20 HA GLU 20 11.328 -3.734 -6.597 652 1HB GLU 20 2HB GLU 20 10.949 -1.186 -6.848 653 2HB GLU 20 1HB GLU 20 11.394 -2.106 -8.283 654 1HG GLU 20 2HG GLU 20 9.254 -1.968 -9.194 655 2HG GLU 20 1HG GLU 20 8.488 -1.765 -7.618 656 H CYS 21 H CYS 21 9.392 -4.838 -4.987 657 HA CYS 21 HA CYS 21 8.124 -2.659 -3.462 658 1HB CYS 21 2HB CYS 21 7.941 -4.950 -1.874 659 2HB CYS 21 1HB CYS 21 6.700 -4.326 -2.942 660 HG CYS 21 HG CYS 21 7.728 -5.945 -4.835 661 H ILE 22 H ILE 22 11.000 -4.647 -3.315 662 HA ILE 22 HA ILE 22 11.740 -3.814 -0.596 663 HB ILE 22 HB ILE 22 13.392 -5.001 -2.850 664 1HG1 ILE 22 2HG1 ILE 22 12.270 -6.897 -2.560 665 2HG1 ILE 22 1HG1 ILE 22 12.905 -6.988 -0.929 666 1HG2 ILE 22 1HG2 ILE 22 14.488 -5.916 -0.562 667 2HG2 ILE 22 2HG2 ILE 22 13.888 -4.355 -0.009 668 3HG2 ILE 22 3HG2 ILE 22 15.012 -4.437 -1.368 669 1HD1 ILE 22 1HD1 ILE 22 10.890 -5.422 -0.325 670 2HD1 ILE 22 2HD1 ILE 22 10.589 -7.139 -0.571 671 3HD1 ILE 22 3HD1 ILE 22 10.214 -5.989 -1.853 672 H ASN 23 H ASN 23 13.144 -3.208 -3.830 673 HA ASN 23 HA ASN 23 14.906 -1.144 -2.894 674 1HB ASN 23 2HB ASN 23 15.172 -0.633 -5.247 675 2HB ASN 23 1HB ASN 23 15.077 -2.381 -5.055 676 1HD2 ASN 23 1HD2 ASN 23 14.180 -0.247 -7.236 677 2HD2 ASN 23 2HD2 ASN 23 12.635 -0.804 -7.659 678 H ASP 24 H ASP 24 11.675 -0.853 -4.492 679 HA ASP 24 HA ASP 24 11.479 1.975 -4.322 680 1HB ASP 24 2HB ASP 24 9.932 0.240 -5.430 681 2HB ASP 24 1HB ASP 24 9.239 -0.005 -3.825 682 H LEU 25 H LEU 25 11.422 -0.544 -1.978 683 HA LEU 25 HA LEU 25 10.235 1.042 0.145 684 1HB LEU 25 2HB LEU 25 9.772 -1.173 0.432 685 2HB LEU 25 1HB LEU 25 11.238 -1.699 -0.334 686 HG LEU 25 HG LEU 25 12.139 -0.416 1.990 687 1HD1 LEU 25 1HD1 LEU 25 10.377 -2.270 3.254 688 2HD1 LEU 25 2HD1 LEU 25 9.455 -1.016 2.423 689 3HD1 LEU 25 3HD1 LEU 25 10.676 -0.571 3.620 690 1HD2 LEU 25 1HD2 LEU 25 11.746 -3.274 1.182 691 2HD2 LEU 25 2HD2 LEU 25 12.400 -2.870 2.769 692 3HD2 LEU 25 3HD2 LEU 25 13.241 -2.344 1.312 693 H LEU 26 H LEU 26 13.199 -0.708 -0.251 694 HA LEU 26 HA LEU 26 14.549 0.557 1.855 695 1HB LEU 26 2HB LEU 26 15.069 -1.652 1.285 696 2HB LEU 26 1HB LEU 26 15.179 -1.266 -0.423 697 HG LEU 26 HG LEU 26 17.148 0.089 -0.005 698 1HD1 LEU 26 1HD1 LEU 26 16.258 -0.403 2.730 699 2HD1 LEU 26 2HD1 LEU 26 17.316 0.865 2.108 700 3HD1 LEU 26 3HD1 LEU 26 17.965 -0.721 2.489 701 1HD2 LEU 26 1HD2 LEU 26 17.979 -2.371 1.362 702 2HD2 LEU 26 2HD2 LEU 26 18.471 -1.749 -0.211 703 3HD2 LEU 26 3HD2 LEU 26 16.977 -2.674 -0.051 704 H GLN 27 H GLN 27 13.970 1.675 -1.315 705 HA GLN 27 HA GLN 27 16.463 3.007 -1.802 706 1HB GLN 27 2HB GLN 27 13.594 3.272 -2.715 707 2HB GLN 27 1HB GLN 27 14.863 4.324 -3.323 708 1HG GLN 27 2HG GLN 27 15.484 1.436 -3.327 709 2HG GLN 27 1HG GLN 27 14.238 1.948 -4.460 710 1HE2 GLN 27 1HE2 GLN 27 17.089 1.049 -4.948 711 2HE2 GLN 27 2HE2 GLN 27 17.793 2.303 -5.841 712 H ALA 28 H ALA 28 14.048 3.360 0.548 713 HA ALA 28 HA ALA 28 14.647 6.247 0.909 714 1HB ALA 28 1HB ALA 28 12.255 4.887 0.545 715 2HB ALA 28 2HB ALA 28 12.422 6.529 1.167 716 3HB ALA 28 3HB ALA 28 12.310 5.169 2.288 717 H VAL 29 H VAL 29 14.777 3.039 2.534 718 HA VAL 29 HA VAL 29 15.306 4.553 5.064 719 HB VAL 29 HB VAL 29 13.662 2.999 5.548 720 1HG1 VAL 29 1HG1 VAL 29 14.996 1.185 3.538 721 2HG1 VAL 29 2HG1 VAL 29 13.420 1.972 3.405 722 3HG1 VAL 29 3HG1 VAL 29 13.665 0.680 4.574 723 1HG2 VAL 29 1HG2 VAL 29 15.580 2.521 7.018 724 2HG2 VAL 29 2HG2 VAL 29 16.186 1.350 5.848 725 3HG2 VAL 29 3HG2 VAL 29 14.661 1.055 6.679 726 H ASP 30 H ASP 30 17.127 3.710 2.598 727 HA ASP 30 HA ASP 30 19.428 3.108 2.433 728 1HB ASP 30 2HB ASP 30 18.867 4.570 4.967 729 2HB ASP 30 1HB ASP 30 20.466 3.880 4.789 730 H SER 31 H SER 31 19.176 0.716 2.456 731 HA SER 31 HA SER 31 20.181 -0.416 4.975 732 1HB SER 31 2HB SER 31 17.572 0.275 4.733 733 2HB SER 31 1HB SER 31 17.481 -1.364 4.161 734 HG SER 31 HG SER 31 18.353 -0.325 6.632 735 H GLN 32 H GLN 32 21.591 -0.771 2.831 736 HA GLN 32 HA GLN 32 20.960 -2.516 0.765 737 1HB GLN 32 2HB GLN 32 23.148 -1.246 1.553 738 2HB GLN 32 1HB GLN 32 23.557 -2.821 2.231 739 1HG GLN 32 2HG GLN 32 23.949 -3.718 0.192 740 2HG GLN 32 1HG GLN 32 22.495 -2.990 -0.492 741 1HE2 GLN 32 1HE2 GLN 32 23.299 -1.937 -2.331 742 2HE2 GLN 32 2HE2 GLN 32 24.541 -0.787 -2.290 743 H GLU 33 H GLU 33 21.194 -3.302 4.162 744 HA GLU 33 HA GLU 33 21.738 -6.116 3.890 745 1HB GLU 33 2HB GLU 33 20.005 -4.779 5.982 746 2HB GLU 33 1HB GLU 33 21.047 -6.188 6.177 747 1HG GLU 33 2HG GLU 33 22.908 -4.438 5.374 748 2HG GLU 33 1HG GLU 33 21.772 -3.296 6.092 749 H VAL 34 H VAL 34 18.908 -4.108 3.524 750 HA VAL 34 HA VAL 34 17.001 -6.321 3.477 751 HB VAL 34 HB VAL 34 17.086 -3.363 3.344 752 1HG1 VAL 34 1HG1 VAL 34 15.307 -4.922 1.528 753 2HG1 VAL 34 2HG1 VAL 34 15.945 -3.290 1.356 754 3HG1 VAL 34 3HG1 VAL 34 14.575 -3.590 2.421 755 1HG2 VAL 34 1HG2 VAL 34 14.842 -5.172 4.262 756 2HG2 VAL 34 2HG2 VAL 34 15.271 -3.568 4.856 757 3HG2 VAL 34 3HG2 VAL 34 16.303 -4.943 5.224 758 H ARG 35 H ARG 35 18.659 -4.263 1.075 759 HA ARG 35 HA ARG 35 17.439 -5.615 -1.222 760 1HB ARG 35 2HB ARG 35 19.181 -3.410 -0.572 761 2HB ARG 35 1HB ARG 35 19.845 -4.346 -1.906 762 1HG ARG 35 2HG ARG 35 17.265 -4.231 -2.685 763 2HG ARG 35 1HG ARG 35 17.368 -2.712 -1.795 764 1HD ARG 35 2HD ARG 35 19.208 -1.951 -3.131 765 2HD ARG 35 1HD ARG 35 19.374 -3.544 -3.892 766 HE ARG 35 HE ARG 35 16.783 -2.967 -4.469 767 1HH1 ARG 35 1HH2 ARG 35 19.452 -0.772 -4.427 768 2HH1 ARG 35 2HH2 ARG 35 18.964 0.045 -5.869 769 1HH2 ARG 35 1HH1 ARG 35 16.253 -2.022 -6.467 770 2HH2 ARG 35 2HH1 ARG 35 17.164 -0.656 -7.019 771 H ASP 36 H ASP 36 20.550 -5.649 0.513 772 HA ASP 36 HA ASP 36 21.913 -7.594 -1.050 773 1HB ASP 36 2HB ASP 36 22.764 -6.128 0.884 774 2HB ASP 36 1HB ASP 36 21.986 -7.276 1.971 775 H TYR 37 H TYR 37 19.388 -7.676 1.280 776 HA TYR 37 HA TYR 37 19.302 -10.533 1.731 777 1HB TYR 37 2HB TYR 37 18.492 -9.264 3.478 778 2HB TYR 37 1HB TYR 37 17.790 -8.046 2.423 779 HD1 TYR 37 1HD TYR 37 15.759 -8.545 1.129 780 HD2 TYR 37 2HD TYR 37 17.229 -11.206 4.151 781 HE1 TYR 37 1HE TYR 37 13.624 -9.757 1.072 782 HE2 TYR 37 2HE TYR 37 15.070 -12.426 4.126 783 HH TYR 37 HH TYR 37 12.569 -11.745 3.410 784 H CYS 38 H CYS 38 17.331 -8.094 0.084 785 HA CYS 38 HA CYS 38 15.442 -9.699 -1.186 786 1HB CYS 38 2HB CYS 38 15.734 -7.168 -1.003 787 2HB CYS 38 1HB CYS 38 16.843 -7.298 -2.351 788 HG CYS 38 HG CYS 38 14.257 -6.834 -3.069 789 H GLU 39 H GLU 39 18.659 -8.730 -2.444 790 HA GLU 39 HA GLU 39 18.437 -10.444 -4.794 791 1HB GLU 39 2HB GLU 39 20.865 -9.811 -4.969 792 2HB GLU 39 1HB GLU 39 19.832 -8.402 -4.706 793 1HG GLU 39 2HG GLU 39 21.091 -7.922 -2.898 794 2HG GLU 39 1HG GLU 39 20.399 -9.361 -2.139 795 H LYS 40 H LYS 40 18.971 -10.975 -1.465 796 HA LYS 40 HA LYS 40 20.703 -13.328 -1.856 797 1HB LYS 40 2HB LYS 40 20.884 -11.890 0.179 798 2HB LYS 40 1HB LYS 40 19.200 -12.253 0.564 799 1HG LYS 40 2HG LYS 40 19.650 -14.449 1.128 800 2HG LYS 40 1HG LYS 40 21.109 -14.516 0.138 801 1HD LYS 40 2HD LYS 40 22.415 -13.679 1.796 802 2HD LYS 40 1HD LYS 40 21.191 -12.493 2.262 803 1HE LYS 40 2HE LYS 40 21.445 -14.048 4.114 804 2HE LYS 40 1HE LYS 40 19.896 -14.411 3.327 805 1HZ LYS 40 1HZ LYS 40 21.274 -16.412 3.661 806 2HZ LYS 40 2HZ LYS 40 22.476 -15.733 2.671 807 3HZ LYS 40 3HZ LYS 40 20.951 -16.112 2.023 808 H LYS 41 H LYS 41 17.488 -12.270 -1.276 809 HA LYS 41 HA LYS 41 16.141 -14.731 -0.793 810 1HB LYS 41 2HB LYS 41 15.268 -12.186 -2.150 811 2HB LYS 41 1HB LYS 41 14.217 -13.359 -1.402 812 1HG LYS 41 2HG LYS 41 15.818 -11.225 -0.228 813 2HG LYS 41 1HG LYS 41 14.311 -11.931 0.329 814 1HD LYS 41 2HD LYS 41 16.852 -13.513 0.526 815 2HD LYS 41 1HD LYS 41 16.453 -12.320 1.702 816 1HE LYS 41 2HE LYS 41 14.441 -13.437 2.335 817 2HE LYS 41 1HE LYS 41 14.498 -14.452 0.889 818 1HZ LYS 41 1HZ LYS 41 15.355 -15.661 2.801 819 2HZ LYS 41 2HZ LYS 41 16.503 -14.442 3.085 820 3HZ LYS 41 3HZ LYS 41 16.593 -15.386 1.675 821 H GLY 42 H GLY 42 16.286 -12.582 -3.532 822 1HA GLY 42 2HA GLY 42 17.105 -13.747 -5.641 823 2HA GLY 42 1HA GLY 42 15.750 -14.818 -5.387 824 H TRP 43 H TRP 43 16.313 -11.314 -5.397 825 HA TRP 43 HA TRP 43 14.125 -11.048 -7.406 826 1HB TRP 43 2HB TRP 43 14.869 -8.757 -5.675 827 2HB TRP 43 1HB TRP 43 13.379 -9.061 -6.472 828 HD1 TRP 43 HD TRP 43 14.948 -11.618 -4.177 829 HE1 TRP 43 1HE TRP 43 13.561 -11.848 -2.166 830 HE3 TRP 43 3HE TRP 43 11.531 -7.883 -4.886 831 HZ2 TRP 43 2HZ TRP 43 11.447 -10.719 -0.810 832 HZ3 TRP 43 3HZ TRP 43 9.835 -7.480 -3.154 833 HH2 TRP 43 HH TRP 43 9.751 -8.896 -1.110 834 H ILE 44 H ILE 44 16.723 -9.749 -5.741 835 HA ILE 44 HA ILE 44 18.786 -9.072 -6.421 836 HB ILE 44 HB ILE 44 17.749 -8.935 -9.224 837 1HG1 ILE 44 2HG1 ILE 44 19.155 -11.371 -8.307 838 2HG1 ILE 44 1HG1 ILE 44 17.521 -11.193 -7.732 839 1HG2 ILE 44 1HG2 ILE 44 19.919 -8.076 -9.234 840 2HG2 ILE 44 2HG2 ILE 44 20.296 -9.793 -9.393 841 3HG2 ILE 44 3HG2 ILE 44 20.395 -9.008 -7.810 842 1HD1 ILE 44 1HD1 ILE 44 18.164 -12.235 -10.176 843 2HD1 ILE 44 2HD1 ILE 44 17.879 -10.543 -10.583 844 3HD1 ILE 44 3HD1 ILE 44 16.612 -11.485 -9.796 845 H VAL 45 H VAL 45 16.152 -7.533 -6.238 846 HA VAL 45 HA VAL 45 15.788 -5.217 -7.541 847 HB VAL 45 HB VAL 45 15.496 -4.181 -5.269 848 1HG1 VAL 45 1HG1 VAL 45 13.757 -5.793 -4.547 849 2HG1 VAL 45 2HG1 VAL 45 14.411 -6.964 -5.687 850 3HG1 VAL 45 3HG1 VAL 45 13.693 -5.468 -6.278 851 1HG2 VAL 45 1HG2 VAL 45 16.561 -6.851 -4.349 852 2HG2 VAL 45 2HG2 VAL 45 15.937 -5.571 -3.309 853 3HG2 VAL 45 3HG2 VAL 45 17.425 -5.319 -4.221 854 H ASN 46 H ASN 46 17.075 -3.572 -8.290 855 HA ASN 46 HA ASN 46 19.400 -2.659 -6.715 856 1HB ASN 46 2HB ASN 46 19.983 -4.752 -8.039 857 2HB ASN 46 1HB ASN 46 19.720 -3.803 -9.498 858 1HD2 ASN 46 1HD2 ASN 46 22.269 -4.834 -9.082 859 2HD2 ASN 46 2HD2 ASN 46 23.344 -3.593 -8.659 860 H ILE 47 H ILE 47 20.338 -0.683 -7.653 861 HA ILE 47 HA ILE 47 18.531 1.243 -8.573 862 HB ILE 47 HB ILE 47 20.795 1.637 -7.653 863 1HG1 ILE 47 2HG1 ILE 47 21.533 3.249 -9.636 864 2HG1 ILE 47 1HG1 ILE 47 19.945 2.816 -10.270 865 1HG2 ILE 47 1HG2 ILE 47 22.717 0.911 -8.660 866 2HG2 ILE 47 2HG2 ILE 47 22.080 1.159 -10.285 867 3HG2 ILE 47 3HG2 ILE 47 21.629 -0.281 -9.372 868 1HD1 ILE 47 1HD1 ILE 47 20.539 4.724 -8.255 869 2HD1 ILE 47 2HD1 ILE 47 19.715 3.382 -7.460 870 3HD1 ILE 47 3HD1 ILE 47 18.948 4.209 -8.815 871 H THR 48 H THR 48 17.214 0.502 -10.317 872 HA THR 48 HA THR 48 18.192 -0.745 -12.704 873 HB THR 48 HB THR 48 15.740 0.953 -12.139 874 HG1 THR 48 1HG THR 48 14.856 -0.879 -11.476 875 1HG2 THR 48 1HG2 THR 48 15.393 -1.085 -14.148 876 2HG2 THR 48 2HG2 THR 48 16.724 -0.022 -14.603 877 3HG2 THR 48 3HG2 THR 48 15.127 0.653 -14.280 878 H SER 49 H SER 49 20.011 0.489 -13.468 879 HA SER 49 HA SER 49 19.276 3.144 -14.661 880 1HB SER 49 2HB SER 49 21.300 4.013 -13.878 881 2HB SER 49 1HB SER 49 20.886 2.899 -12.577 882 HG SER 49 HG SER 49 22.139 1.322 -13.899 883 H GLN 50 H GLN 50 19.805 0.051 -15.456 884 HA GLN 50 HA GLN 50 21.645 0.595 -17.744 885 1HB GLN 50 2HB GLN 50 21.555 -1.402 -15.889 886 2HB GLN 50 1HB GLN 50 20.606 -2.126 -17.188 887 1HG GLN 50 2HG GLN 50 22.780 -2.760 -17.769 888 2HG GLN 50 1HG GLN 50 22.561 -1.291 -18.720 889 1HE2 GLN 50 1HE2 GLN 50 24.084 -2.571 -15.759 890 2HE2 GLN 50 2HE2 GLN 50 25.171 -1.282 -15.562 891 H VAL 51 H VAL 51 19.016 1.693 -17.940 892 HA VAL 51 HA VAL 51 17.456 -0.197 -19.613 893 HB VAL 51 HB VAL 51 16.853 2.687 -18.927 894 1HG1 VAL 51 1HG1 VAL 51 15.045 2.156 -20.181 895 2HG1 VAL 51 2HG1 VAL 51 14.545 1.152 -18.821 896 3HG1 VAL 51 3HG1 VAL 51 15.441 0.437 -20.159 897 1HG2 VAL 51 1HG2 VAL 51 17.467 1.378 -16.874 898 2HG2 VAL 51 2HG2 VAL 51 16.185 0.234 -17.274 899 3HG2 VAL 51 3HG2 VAL 51 15.784 1.907 -16.886 900 H GLN 52 H GLN 52 16.416 1.127 -21.615 901 HA GLN 52 HA GLN 52 18.682 1.796 -23.357 902 1HB GLN 52 2HB GLN 52 15.728 1.964 -23.977 903 2HB GLN 52 1HB GLN 52 17.051 1.591 -25.081 904 1HG GLN 52 2HG GLN 52 17.337 -0.373 -23.180 905 2HG GLN 52 1HG GLN 52 15.586 -0.184 -23.243 906 1HE2 GLN 52 1HE2 GLN 52 14.987 0.273 -25.858 907 2HE2 GLN 52 2HE2 GLN 52 15.569 -0.967 -26.861 908 H THR 53 H THR 53 17.030 3.586 -21.129 909 HA THR 53 HA THR 53 16.252 5.967 -22.480 910 HB THR 53 HB THR 53 15.688 5.448 -20.161 911 HG1 THR 53 1HG THR 53 16.873 7.469 -19.248 912 1HG2 THR 53 1HG2 THR 53 17.243 4.496 -18.851 913 2HG2 THR 53 2HG2 THR 53 18.085 6.044 -18.780 914 3HG2 THR 53 3HG2 THR 53 18.503 4.867 -20.028 915 H GLU 54 H GLU 54 18.035 6.141 -24.111 916 HA GLU 54 HA GLU 54 20.244 7.827 -23.061 917 1HB GLU 54 2HB GLU 54 20.953 5.419 -23.045 918 2HB GLU 54 1HB GLU 54 20.660 5.362 -24.783 919 1HG GLU 54 2HG GLU 54 23.016 5.782 -24.458 920 2HG GLU 54 1HG GLU 54 22.284 7.278 -25.037 921 H ARG 55 H ARG 55 18.244 8.946 -24.457 922 HA ARG 55 HA ARG 55 18.422 8.793 -27.327 923 1HB ARG 55 2HB ARG 55 17.147 10.429 -25.219 924 2HB ARG 55 1HB ARG 55 17.399 11.268 -26.750 925 1HG ARG 55 2HG ARG 55 16.352 9.240 -27.887 926 2HG ARG 55 1HG ARG 55 15.870 8.702 -26.279 927 1HD ARG 55 2HD ARG 55 15.132 11.438 -26.453 928 2HD ARG 55 1HD ARG 55 14.584 10.659 -27.952 929 HE ARG 55 HE ARG 55 14.060 9.014 -25.614 930 1HH1 ARG 55 1HH2 ARG 55 12.484 9.879 -28.250 931 2HH1 ARG 55 2HH2 ARG 55 11.040 10.479 -27.504 932 1HH2 ARG 55 1HH1 ARG 55 12.404 10.561 -24.317 933 2HH2 ARG 55 2HH1 ARG 55 10.995 10.865 -25.276 934 H ASN 56 H ASN 56 20.397 10.332 -24.940 935 HA ASN 56 HA ASN 56 21.559 12.217 -26.938 936 1HB ASN 56 2HB ASN 56 21.952 11.854 -23.949 937 2HB ASN 56 1HB ASN 56 22.635 13.166 -24.911 938 1HD2 ASN 56 1HD2 ASN 56 20.682 13.449 -22.693 939 2HD2 ASN 56 2HD2 ASN 56 19.301 14.171 -23.367 940 H ILE 57 H ILE 57 23.681 11.975 -27.663 941 HA ILE 57 HA ILE 57 25.057 9.435 -26.896 942 HB ILE 57 HB ILE 57 26.185 9.759 -29.080 943 1HG1 ILE 57 2HG1 ILE 57 24.377 12.051 -29.716 944 2HG1 ILE 57 1HG1 ILE 57 25.802 12.391 -28.734 945 1HG2 ILE 57 1HG2 ILE 57 24.005 9.779 -30.488 946 2HG2 ILE 57 2HG2 ILE 57 23.176 9.916 -28.938 947 3HG2 ILE 57 3HG2 ILE 57 24.189 8.513 -29.274 948 1HD1 ILE 57 1HD1 ILE 57 27.239 11.349 -30.443 949 2HD1 ILE 57 2HD1 ILE 57 26.294 12.663 -31.143 950 3HD1 ILE 57 3HD1 ILE 57 25.819 10.988 -31.424 951 H ASN 58 H ASN 58 27.478 9.583 -26.761 952 HA ASN 58 HA ASN 58 28.282 11.918 -25.167 953 1HB ASN 58 2HB ASN 58 29.753 9.429 -26.095 954 2HB ASN 58 1HB ASN 58 30.325 10.550 -24.858 955 1HD2 ASN 58 1HD2 ASN 58 30.145 8.216 -23.706 956 2HD2 ASN 58 2HD2 ASN 58 28.686 7.953 -22.878 957 H ARG 59 H ARG 59 29.485 13.626 -25.937 958 HA ARG 59 HA ARG 59 30.165 13.704 -28.806 959 1HB ARG 59 2HB ARG 59 30.584 16.058 -28.313 960 2HB ARG 59 1HB ARG 59 29.085 15.572 -27.521 961 1HG ARG 59 2HG ARG 59 31.282 15.017 -25.758 962 2HG ARG 59 1HG ARG 59 31.405 16.687 -26.313 963 1HD ARG 59 2HD ARG 59 29.482 17.324 -25.229 964 2HD ARG 59 1HD ARG 59 28.680 15.770 -25.536 965 HE ARG 59 HE ARG 59 30.950 15.864 -23.606 966 1HH1 ARG 59 1HH2 ARG 59 27.638 16.373 -23.662 967 2HH1 ARG 59 2HH2 ARG 59 27.251 15.168 -22.479 968 1HH2 ARG 59 1HH1 ARG 59 30.459 13.856 -22.377 969 2HH2 ARG 59 2HH1 ARG 59 28.847 13.744 -21.752 970 H ALA 60 H ALA 60 32.438 15.511 -28.399 971 HA ALA 60 HA ALA 60 34.527 14.151 -26.911 972 1HB ALA 60 1HB ALA 60 35.489 12.872 -28.592 973 2HB ALA 60 2HB ALA 60 34.880 13.921 -29.873 974 3HB ALA 60 3HB ALA 60 33.796 12.776 -29.082
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