NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
22952 | 2js5 | 15354 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA MET 1 HA MET 1 27.553 -0.080 -18.878 2 H1 MET 1 1H MET 1 28.975 0.043 -21.471 3 H2 MET 1 2H MET 1 29.672 0.213 -19.932 4 H3 MET 1 3H MET 1 28.583 1.377 -20.503 5 HB2 MET 1 2HB MET 1 26.541 -0.404 -21.708 6 HB3 MET 1 1HB MET 1 25.610 -0.794 -20.270 7 HG2 MET 1 2HG MET 1 25.634 1.508 -19.573 8 HG3 MET 1 1HG MET 1 26.696 1.936 -20.912 9 HE1 MET 1 1HE MET 1 23.352 3.682 -21.913 10 HE2 MET 1 2HE MET 1 25.087 3.881 -21.670 11 HE3 MET 1 3HE MET 1 24.044 3.509 -20.299 12 H SER 2 H SER 2 28.861 -1.719 -18.109 13 HA SER 2 HA SER 2 28.163 -4.356 -19.006 14 HG SER 2 HG SER 2 29.195 -3.400 -20.986 15 HB2 SER 2 2HB SER 2 31.067 -3.494 -19.139 16 HB3 SER 2 1HB SER 2 30.482 -5.141 -19.344 17 H GLU 3 H GLU 3 28.387 -5.832 -17.366 18 HA GLU 3 HA GLU 3 29.764 -4.963 -14.934 19 HB2 GLU 3 2HB GLU 3 26.968 -6.131 -14.994 20 HB3 GLU 3 1HB GLU 3 27.907 -5.810 -13.541 21 HG2 GLU 3 2HG GLU 3 27.980 -3.387 -14.350 22 HG3 GLU 3 1HG GLU 3 26.692 -3.857 -15.458 23 H GLY 4 H GLY 4 30.764 -6.585 -13.840 24 HA2 GLY 4 2HA GLY 4 31.058 -9.104 -15.224 25 HA3 GLY 4 1HA GLY 4 31.955 -8.573 -13.807 26 H ALA 5 H ALA 5 31.203 -11.090 -13.754 27 HA ALA 5 HA ALA 5 28.586 -11.643 -12.866 28 HB1 ALA 5 1HB ALA 5 31.108 -13.221 -12.380 29 HB2 ALA 5 2HB ALA 5 30.043 -13.370 -13.780 30 HB3 ALA 5 3HB ALA 5 29.459 -13.813 -12.176 31 H GLU 6 H GLU 6 31.531 -10.761 -11.167 32 HA GLU 6 HA GLU 6 30.609 -11.265 -8.547 33 HB2 GLU 6 2HB GLU 6 32.605 -9.187 -9.462 34 HB3 GLU 6 1HB GLU 6 32.425 -9.797 -7.823 35 HG2 GLU 6 2HG GLU 6 33.018 -12.048 -8.661 36 HG3 GLU 6 1HG GLU 6 33.347 -11.332 -10.233 37 H GLU 7 H GLU 7 30.693 -8.308 -10.484 38 HA GLU 7 HA GLU 7 29.366 -6.618 -8.726 39 HB2 GLU 7 2HB GLU 7 29.354 -6.642 -11.749 40 HB3 GLU 7 1HB GLU 7 28.865 -5.299 -10.745 41 HG2 GLU 7 2HG GLU 7 31.620 -6.478 -10.891 42 HG3 GLU 7 1HG GLU 7 31.096 -4.962 -11.623 43 H LEU 8 H LEU 8 28.146 -8.829 -11.195 44 HA LEU 8 HA LEU 8 25.443 -8.193 -11.101 45 HG LEU 8 HG LEU 8 24.339 -9.347 -12.831 46 HB2 LEU 8 2HB LEU 8 26.854 -9.743 -12.652 47 HB3 LEU 8 1HB LEU 8 26.452 -10.989 -11.489 48 HD11 LEU 8 1HD1 LEU 8 25.686 -10.370 -14.591 49 HD12 LEU 8 2HD1 LEU 8 24.109 -11.152 -14.477 50 HD13 LEU 8 3HD1 LEU 8 25.537 -11.941 -13.805 51 HD21 LEU 8 1HD2 LEU 8 22.929 -11.281 -12.320 52 HD22 LEU 8 2HD2 LEU 8 23.664 -10.628 -10.856 53 HD23 LEU 8 3HD2 LEU 8 24.311 -12.098 -11.586 54 H LYS 9 H LYS 9 27.242 -10.700 -9.317 55 HA LYS 9 HA LYS 9 25.052 -11.704 -7.865 56 HB2 LYS 9 2HB LYS 9 27.286 -12.819 -8.168 57 HB3 LYS 9 1HB LYS 9 27.946 -11.691 -6.998 58 HG2 LYS 9 2HG LYS 9 27.506 -13.723 -5.858 59 HG3 LYS 9 1HG LYS 9 26.294 -12.553 -5.337 60 HD2 LYS 9 2HD LYS 9 24.664 -13.543 -6.850 61 HD3 LYS 9 1HD LYS 9 25.878 -14.687 -7.430 62 HE2 LYS 9 2HE LYS 9 26.085 -15.574 -5.130 63 HE3 LYS 9 1HE LYS 9 24.799 -14.482 -4.618 64 HZ1 LYS 9 1HZ LYS 9 23.273 -15.605 -6.092 65 HZ2 LYS 9 2HZ LYS 9 24.002 -16.741 -5.068 66 HZ3 LYS 9 3HZ LYS 9 24.506 -16.605 -6.677 67 H ALA 10 H ALA 10 27.535 -9.333 -6.950 68 HA ALA 10 HA ALA 10 26.575 -8.844 -4.353 69 HB1 ALA 10 1HB ALA 10 28.794 -8.149 -5.110 70 HB2 ALA 10 2HB ALA 10 27.891 -6.793 -4.435 71 HB3 ALA 10 3HB ALA 10 28.057 -6.959 -6.183 72 H LYS 11 H LYS 11 25.790 -7.369 -7.453 73 HA LYS 11 HA LYS 11 24.150 -5.289 -6.441 74 HB2 LYS 11 2HB LYS 11 25.223 -5.386 -8.706 75 HB3 LYS 11 1HB LYS 11 24.049 -6.606 -9.156 76 HG2 LYS 11 2HG LYS 11 22.264 -5.063 -9.056 77 HG3 LYS 11 1HG LYS 11 23.271 -3.841 -8.264 78 HD2 LYS 11 2HD LYS 11 24.650 -3.654 -10.243 79 HD3 LYS 11 1HD LYS 11 23.746 -4.947 -11.029 80 HE2 LYS 11 2HE LYS 11 21.770 -3.590 -11.107 81 HE3 LYS 11 1HE LYS 11 22.543 -2.331 -10.143 82 HZ1 LYS 11 1HZ LYS 11 22.482 -1.909 -12.589 83 HZ2 LYS 11 2HZ LYS 11 23.569 -3.197 -12.793 84 HZ3 LYS 11 3HZ LYS 11 24.022 -1.834 -11.895 85 H LEU 12 H LEU 12 23.409 -8.472 -7.842 86 HA LEU 12 HA LEU 12 20.618 -8.370 -7.506 87 HG LEU 12 HG LEU 12 20.307 -11.424 -6.598 88 HB2 LEU 12 2HB LEU 12 21.682 -10.041 -8.908 89 HB3 LEU 12 1HB LEU 12 22.501 -10.731 -7.522 90 HD11 LEU 12 1HD1 LEU 12 18.330 -11.343 -8.036 91 HD12 LEU 12 2HD1 LEU 12 19.237 -10.416 -9.231 92 HD13 LEU 12 3HD1 LEU 12 18.911 -9.725 -7.642 93 HD21 LEU 12 1HD2 LEU 12 19.922 -13.238 -8.181 94 HD22 LEU 12 2HD2 LEU 12 21.648 -12.964 -7.942 95 HD23 LEU 12 3HD2 LEU 12 20.856 -12.378 -9.405 96 H LYS 13 H LYS 13 23.199 -9.504 -5.372 97 HA LYS 13 HA LYS 13 21.572 -10.513 -3.313 98 HB2 LYS 13 2HB LYS 13 24.096 -10.768 -3.632 99 HB3 LYS 13 1HB LYS 13 24.242 -9.187 -2.881 100 HG2 LYS 13 2HG LYS 13 24.606 -10.963 -1.267 101 HG3 LYS 13 1HG LYS 13 23.162 -10.029 -0.867 102 HD2 LYS 13 2HD LYS 13 21.734 -11.747 -1.744 103 HD3 LYS 13 1HD LYS 13 23.117 -12.635 -2.387 104 HE2 LYS 13 2HE LYS 13 22.642 -12.092 0.541 105 HE3 LYS 13 1HE LYS 13 22.199 -13.588 -0.282 106 HZ1 LYS 13 1HZ LYS 13 24.544 -13.903 -0.850 107 HZ2 LYS 13 2HZ LYS 13 24.315 -13.822 0.828 108 HZ3 LYS 13 3HZ LYS 13 24.951 -12.492 -0.003 109 H LYS 14 H LYS 14 23.017 -7.299 -3.762 110 HA LYS 14 HA LYS 14 22.013 -6.029 -1.516 111 HB2 LYS 14 2HB LYS 14 23.660 -5.096 -3.130 112 HB3 LYS 14 1HB LYS 14 22.357 -4.857 -4.279 113 HG2 LYS 14 2HG LYS 14 22.733 -2.763 -3.312 114 HG3 LYS 14 1HG LYS 14 21.273 -3.374 -2.536 115 HD2 LYS 14 2HD LYS 14 23.891 -3.938 -1.250 116 HD3 LYS 14 1HD LYS 14 23.252 -2.303 -1.151 117 HE2 LYS 14 2HE LYS 14 21.166 -3.204 -0.187 118 HE3 LYS 14 1HE LYS 14 21.860 -4.821 -0.248 119 HZ1 LYS 14 1HZ LYS 14 22.123 -3.976 1.943 120 HZ2 LYS 14 2HZ LYS 14 22.815 -2.534 1.384 121 HZ3 LYS 14 3HZ LYS 14 23.658 -3.994 1.223 122 H LEU 15 H LEU 15 20.563 -6.389 -4.731 123 HA LEU 15 HA LEU 15 18.213 -4.933 -4.159 124 HG LEU 15 HG LEU 15 20.165 -5.138 -6.615 125 HB2 LEU 15 2HB LEU 15 18.724 -7.062 -6.234 126 HB3 LEU 15 1HB LEU 15 17.311 -6.025 -6.197 127 HD11 LEU 15 1HD1 LEU 15 17.792 -5.187 -8.474 128 HD12 LEU 15 2HD1 LEU 15 19.200 -6.248 -8.552 129 HD13 LEU 15 3HD1 LEU 15 19.381 -4.518 -8.845 130 HD21 LEU 15 1HD2 LEU 15 19.185 -2.913 -7.010 131 HD22 LEU 15 2HD2 LEU 15 18.961 -3.463 -5.349 132 HD23 LEU 15 3HD2 LEU 15 17.617 -3.529 -6.491 133 H ASN 16 H ASN 16 18.992 -8.366 -3.964 134 HA ASN 16 HA ASN 16 16.434 -9.355 -3.393 135 HB2 ASN 16 2HB ASN 16 18.515 -10.695 -3.948 136 HB3 ASN 16 1HB ASN 16 19.034 -10.445 -2.287 137 HD21 ASN 16 1HD2 ASN 16 18.427 -12.924 -3.702 138 HD22 ASN 16 2HD2 ASN 16 17.168 -13.694 -2.794 139 H ALA 17 H ALA 17 19.033 -8.334 -1.189 140 HA ALA 17 HA ALA 17 17.565 -8.727 1.195 141 HB1 ALA 17 1HB ALA 17 20.018 -8.566 1.120 142 HB2 ALA 17 2HB ALA 17 19.316 -7.427 2.269 143 HB3 ALA 17 3HB ALA 17 19.883 -6.857 0.700 144 H GLN 18 H GLN 18 17.902 -6.012 -1.000 145 HA GLN 18 HA GLN 18 16.646 -4.036 0.549 146 HB2 GLN 18 2HB GLN 18 17.949 -3.585 -1.499 147 HB3 GLN 18 1HB GLN 18 16.702 -4.361 -2.461 148 HG2 GLN 18 2HG GLN 18 15.112 -2.629 -1.802 149 HG3 GLN 18 1HG GLN 18 16.364 -1.853 -0.831 150 HE21 GLN 18 1HE2 GLN 18 15.240 -2.525 -4.049 151 HE22 GLN 18 2HE2 GLN 18 16.275 -1.406 -4.868 152 H ALA 19 H ALA 19 15.331 -6.226 -1.922 153 HA ALA 19 HA ALA 19 12.654 -5.328 -1.647 154 HB1 ALA 19 1HB ALA 19 13.701 -7.917 -2.783 155 HB2 ALA 19 2HB ALA 19 13.462 -6.414 -3.674 156 HB3 ALA 19 3HB ALA 19 12.074 -7.272 -3.006 157 H THR 20 H THR 20 14.447 -8.044 -0.253 158 HA THR 20 HA THR 20 12.224 -9.318 0.921 159 HB THR 20 HB THR 20 15.146 -9.440 1.687 160 HG1 THR 20 1HG THR 20 15.100 -10.444 -0.209 161 HG21 THR 20 1HG2 THR 20 12.863 -11.258 2.476 162 HG22 THR 20 2HG2 THR 20 13.756 -10.185 3.555 163 HG23 THR 20 3HG2 THR 20 14.570 -11.557 2.803 164 H ALA 21 H ALA 21 14.540 -6.964 2.252 165 HA ALA 21 HA ALA 21 13.625 -6.994 4.896 166 HB1 ALA 21 1HB ALA 21 14.828 -4.671 3.395 167 HB2 ALA 21 2HB ALA 21 15.735 -5.950 4.198 168 HB3 ALA 21 3HB ALA 21 14.738 -4.848 5.148 169 H LEU 22 H LEU 22 12.712 -4.869 2.203 170 HA LEU 22 HA LEU 22 10.842 -3.328 3.640 171 HG LEU 22 HG LEU 22 13.006 -2.780 1.536 172 HB2 LEU 22 2HB LEU 22 10.975 -3.934 0.683 173 HB3 LEU 22 1HB LEU 22 9.991 -2.676 1.408 174 HD11 LEU 22 1HD1 LEU 22 12.270 -2.404 -0.740 175 HD12 LEU 22 2HD1 LEU 22 12.926 -0.917 -0.056 176 HD13 LEU 22 3HD1 LEU 22 11.182 -1.126 -0.200 177 HD21 LEU 22 1HD2 LEU 22 11.993 -1.614 3.422 178 HD22 LEU 22 2HD2 LEU 22 11.054 -0.617 2.310 179 HD23 LEU 22 3HD2 LEU 22 12.813 -0.486 2.342 180 H LYS 23 H LYS 23 10.502 -6.267 1.705 181 HA LYS 23 HA LYS 23 7.696 -6.417 1.765 182 HB2 LYS 23 2HB LYS 23 9.138 -7.710 0.221 183 HB3 LYS 23 1HB LYS 23 9.692 -8.686 1.573 184 HG2 LYS 23 2HG LYS 23 6.768 -8.551 1.099 185 HG3 LYS 23 1HG LYS 23 7.743 -9.458 -0.057 186 HD2 LYS 23 2HD LYS 23 8.237 -9.957 2.825 187 HD3 LYS 23 1HD LYS 23 6.720 -10.556 2.154 188 HE2 LYS 23 2HE LYS 23 8.510 -12.243 2.075 189 HE3 LYS 23 1HE LYS 23 7.916 -11.818 0.474 190 HZ1 LYS 23 1HZ LYS 23 9.843 -10.489 0.086 191 HZ2 LYS 23 2HZ LYS 23 10.361 -12.014 0.630 192 HZ3 LYS 23 3HZ LYS 23 10.379 -10.687 1.683 193 H MET 24 H MET 24 10.148 -7.614 4.019 194 HA MET 24 HA MET 24 8.286 -9.062 5.638 195 HB2 MET 24 2HB MET 24 11.090 -8.094 6.196 196 HB3 MET 24 1HB MET 24 10.158 -9.083 7.310 197 HG2 MET 24 2HG MET 24 10.027 -10.848 5.618 198 HG3 MET 24 1HG MET 24 10.995 -9.857 4.528 199 HE1 MET 24 1HE MET 24 10.936 -11.817 7.927 200 HE2 MET 24 2HE MET 24 11.448 -10.207 8.437 201 HE3 MET 24 3HE MET 24 12.577 -11.559 8.521 202 H ASP 25 H ASP 25 9.714 -5.831 5.776 203 HA ASP 25 HA ASP 25 8.632 -5.171 8.323 204 HB2 ASP 25 2HB ASP 25 10.593 -4.041 7.243 205 HB3 ASP 25 1HB ASP 25 9.473 -3.263 6.132 206 H LEU 26 H LEU 26 7.496 -4.841 5.009 207 HA LEU 26 HA LEU 26 5.217 -3.264 5.517 208 HG LEU 26 HG LEU 26 3.263 -4.744 3.537 209 HB2 LEU 26 2HB LEU 26 6.080 -3.688 3.259 210 HB3 LEU 26 1HB LEU 26 5.643 -5.379 3.403 211 HD11 LEU 26 1HD1 LEU 26 3.501 -2.520 4.494 212 HD12 LEU 26 2HD1 LEU 26 2.594 -2.454 2.982 213 HD13 LEU 26 3HD1 LEU 26 4.285 -1.955 3.018 214 HD21 LEU 26 1HD2 LEU 26 4.240 -5.328 1.389 215 HD22 LEU 26 2HD2 LEU 26 4.728 -3.652 1.141 216 HD23 LEU 26 3HD2 LEU 26 3.016 -4.072 1.198 217 H HIS 27 H HIS 27 5.756 -6.755 5.605 218 HA HIS 27 HA HIS 27 3.125 -7.585 6.055 219 HD1 HIS 27 1HD HIS 27 5.550 -10.839 8.406 220 HD2 HIS 27 2HD HIS 27 1.962 -9.952 6.490 221 HE1 HIS 27 1HE HIS 27 3.888 -12.525 9.254 222 HE2 HIS 27 2HE HIS 27 1.698 -11.893 8.184 223 HB2 HIS 27 2HB HIS 27 4.891 -9.168 5.509 224 HB3 HIS 27 1HB HIS 27 5.726 -8.804 7.013 225 H ASP 28 H ASP 28 5.598 -6.443 8.284 226 HA ASP 28 HA ASP 28 4.018 -6.905 10.630 227 HB2 ASP 28 2HB ASP 28 6.447 -6.882 10.778 228 HB3 ASP 28 1HB ASP 28 6.492 -5.220 10.202 229 H LEU 29 H LEU 29 4.681 -4.145 8.533 230 HA LEU 29 HA LEU 29 3.418 -2.166 10.076 231 HG LEU 29 HG LEU 29 2.121 -0.537 7.822 232 HB2 LEU 29 2HB LEU 29 4.897 -1.669 8.180 233 HB3 LEU 29 1HB LEU 29 3.708 -2.331 7.076 234 HD11 LEU 29 1HD1 LEU 29 3.127 -0.019 9.971 235 HD12 LEU 29 2HD1 LEU 29 3.070 1.419 8.951 236 HD13 LEU 29 3HD1 LEU 29 4.589 0.550 9.168 237 HD21 LEU 29 1HD2 LEU 29 3.387 -0.363 5.743 238 HD22 LEU 29 2HD2 LEU 29 4.726 0.381 6.616 239 HD23 LEU 29 3HD2 LEU 29 3.177 1.216 6.500 240 H ALA 30 H ALA 30 2.150 -4.521 7.808 241 HA ALA 30 HA ALA 30 -0.447 -3.471 7.524 242 HB1 ALA 30 1HB ALA 30 0.443 -5.232 6.070 243 HB2 ALA 30 2HB ALA 30 -1.089 -5.712 6.802 244 HB3 ALA 30 3HB ALA 30 0.428 -6.358 7.428 245 H GLU 31 H GLU 31 1.054 -5.365 10.039 246 HA GLU 31 HA GLU 31 -1.423 -5.800 11.443 247 HB2 GLU 31 2HB GLU 31 1.414 -6.272 12.369 248 HB3 GLU 31 1HB GLU 31 -0.051 -6.946 13.056 249 HG2 GLU 31 2HG GLU 31 -0.449 -8.084 10.857 250 HG3 GLU 31 1HG GLU 31 1.165 -7.561 10.383 251 H ASP 32 H ASP 32 1.066 -3.465 11.272 252 HA ASP 32 HA ASP 32 0.437 -2.223 13.832 253 HB2 ASP 32 2HB ASP 32 2.786 -2.396 12.869 254 HB3 ASP 32 1HB ASP 32 2.296 -1.202 11.675 255 H LEU 33 H LEU 33 -1.557 -2.452 11.723 256 HA LEU 33 HA LEU 33 -2.067 -0.091 10.366 257 HG LEU 33 HG LEU 33 -2.726 -2.469 9.022 258 HB2 LEU 33 2HB LEU 33 -3.666 -2.408 11.242 259 HB3 LEU 33 1HB LEU 33 -4.570 -0.953 10.864 260 HD11 LEU 33 1HD1 LEU 33 -4.760 -2.726 7.673 261 HD12 LEU 33 2HD1 LEU 33 -5.687 -1.924 8.941 262 HD13 LEU 33 3HD1 LEU 33 -4.912 -3.475 9.262 263 HD21 LEU 33 1HD2 LEU 33 -2.372 -0.129 8.606 264 HD22 LEU 33 2HD2 LEU 33 -4.105 0.188 8.642 265 HD23 LEU 33 3HD2 LEU 33 -3.411 -0.766 7.327 266 HA PRO 34 HA PRO 34 -3.839 3.491 11.592 267 HB2 PRO 34 2HB PRO 34 -5.410 2.119 13.753 268 HB3 PRO 34 1HB PRO 34 -5.741 3.673 12.963 269 HG2 PRO 34 2HG PRO 34 -6.659 1.198 12.044 270 HG3 PRO 34 1HG PRO 34 -6.541 2.670 11.064 271 HD2 PRO 34 2HD PRO 34 -5.091 0.297 10.620 272 HD3 PRO 34 1HD PRO 34 -4.666 1.896 9.959 273 H THR 35 H THR 35 -1.634 1.711 13.065 274 HA THR 35 HA THR 35 -1.000 3.819 15.000 275 HB THR 35 HB THR 35 0.616 1.319 14.496 276 HG1 THR 35 1HG THR 35 -1.059 0.289 15.305 277 HG21 THR 35 1HG2 THR 35 1.703 3.111 15.770 278 HG22 THR 35 2HG2 THR 35 1.383 1.708 16.789 279 HG23 THR 35 3HG2 THR 35 0.348 3.131 16.899 280 H GLY 36 H GLY 36 0.589 1.937 12.436 281 HA2 GLY 36 2HA GLY 36 2.155 4.322 11.707 282 HA3 GLY 36 1HA GLY 36 2.543 2.666 11.257 283 H TRP 37 H TRP 37 -0.684 3.921 11.061 284 HA TRP 37 HA TRP 37 -1.099 3.094 8.432 285 HD1 TRP 37 HD TRP 37 -1.689 5.148 12.033 286 HE1 TRP 37 1HE TRP 37 -2.483 7.504 12.691 287 HE3 TRP 37 3HE TRP 37 -4.379 6.290 7.838 288 HZ2 TRP 37 2HZ TRP 37 -4.045 9.573 11.578 289 HZ3 TRP 37 3HZ TRP 37 -5.499 8.479 7.720 290 HH2 TRP 37 HH TRP 37 -5.335 10.084 9.551 291 HB2 TRP 37 2HB TRP 37 -3.213 4.306 8.551 292 HB3 TRP 37 1HB TRP 37 -2.916 3.431 10.047 293 H ASN 38 H ASN 38 0.250 6.046 9.639 294 HA ASN 38 HA ASN 38 -0.266 7.606 7.291 295 HB2 ASN 38 2HB ASN 38 0.104 8.589 9.554 296 HB3 ASN 38 1HB ASN 38 1.781 8.057 9.478 297 HD21 ASN 38 1HD2 ASN 38 -0.587 10.278 8.232 298 HD22 ASN 38 2HD2 ASN 38 0.529 11.355 7.474 299 H ARG 39 H ARG 39 1.880 5.139 8.078 300 HA ARG 39 HA ARG 39 3.880 5.995 6.104 301 HE ARG 39 HE ARG 39 8.340 3.519 6.868 302 HB2 ARG 39 2HB ARG 39 4.673 5.516 8.387 303 HB3 ARG 39 1HB ARG 39 4.045 3.879 8.262 304 HG2 ARG 39 2HG ARG 39 5.610 3.474 6.389 305 HG3 ARG 39 1HG ARG 39 6.277 5.087 6.646 306 HD2 ARG 39 2HD ARG 39 7.042 4.508 8.822 307 HD3 ARG 39 1HD ARG 39 6.169 2.976 8.784 308 HH11 ARG 39 1HH1 ARG 39 6.962 1.613 9.466 309 HH12 ARG 39 2HH1 ARG 39 8.098 0.311 9.302 310 HH21 ARG 39 1HH2 ARG 39 9.850 1.802 6.643 311 HH22 ARG 39 2HH2 ARG 39 9.714 0.405 7.675 312 H ILE 40 H ILE 40 1.145 4.252 6.116 313 HA ILE 40 HA ILE 40 1.737 1.704 5.206 314 HB ILE 40 HB ILE 40 -0.600 3.478 4.501 315 HG12 ILE 40 2HG1 ILE 40 -0.361 1.134 6.396 316 HG13 ILE 40 1HG1 ILE 40 -0.374 2.834 6.869 317 HG21 ILE 40 1HG2 ILE 40 -1.761 1.481 3.712 318 HG22 ILE 40 2HG2 ILE 40 -0.299 0.522 3.949 319 HG23 ILE 40 3HG2 ILE 40 -0.326 1.808 2.740 320 HD11 ILE 40 1HD1 ILE 40 -2.648 3.061 6.014 321 HD12 ILE 40 2HD1 ILE 40 -2.545 1.782 7.223 322 HD13 ILE 40 3HD1 ILE 40 -2.640 1.370 5.512 323 H MET 41 H MET 41 1.223 4.635 3.231 324 HA MET 41 HA MET 41 1.488 3.221 0.783 325 HB2 MET 41 2HB MET 41 1.609 6.188 1.343 326 HB3 MET 41 1HB MET 41 1.562 5.482 -0.269 327 HG2 MET 41 2HG MET 41 -0.616 4.410 0.376 328 HG3 MET 41 1HG MET 41 -0.571 5.375 1.851 329 HE1 MET 41 1HE MET 41 -0.998 7.070 -2.423 330 HE2 MET 41 2HE MET 41 -1.001 5.352 -2.020 331 HE3 MET 41 3HE MET 41 0.485 6.291 -1.872 332 H GLU 42 H GLU 42 3.778 4.693 2.926 333 HA GLU 42 HA GLU 42 5.883 5.153 1.111 334 HB2 GLU 42 2HB GLU 42 5.939 6.014 3.413 335 HB3 GLU 42 1HB GLU 42 6.038 4.374 4.034 336 HG2 GLU 42 2HG GLU 42 8.168 4.129 2.705 337 HG3 GLU 42 1HG GLU 42 8.097 5.867 2.435 338 H VAL 43 H VAL 43 5.470 2.451 3.381 339 HA VAL 43 HA VAL 43 7.551 0.916 2.244 340 HB VAL 43 HB VAL 43 5.260 -0.172 3.882 341 HG11 VAL 43 1HG1 VAL 43 6.651 -1.875 2.877 342 HG12 VAL 43 2HG1 VAL 43 6.941 -1.808 4.615 343 HG13 VAL 43 3HG1 VAL 43 8.103 -1.091 3.499 344 HG21 VAL 43 1HG2 VAL 43 6.643 0.281 5.856 345 HG22 VAL 43 2HG2 VAL 43 6.206 1.768 5.012 346 HG23 VAL 43 3HG2 VAL 43 7.826 1.096 4.834 347 H ALA 44 H ALA 44 4.093 1.079 1.639 348 HA ALA 44 HA ALA 44 3.814 -1.189 0.023 349 HB1 ALA 44 1HB ALA 44 1.913 0.132 0.825 350 HB2 ALA 44 2HB ALA 44 1.858 -0.088 -0.924 351 HB3 ALA 44 3HB ALA 44 2.383 1.453 -0.246 352 H GLU 45 H GLU 45 4.632 2.160 -0.846 353 HA GLU 45 HA GLU 45 5.037 1.711 -3.598 354 HB2 GLU 45 2HB GLU 45 4.826 3.961 -2.648 355 HB3 GLU 45 1HB GLU 45 6.331 3.743 -1.769 356 HG2 GLU 45 2HG GLU 45 7.385 3.362 -4.080 357 HG3 GLU 45 1HG GLU 45 5.908 4.092 -4.711 358 H LYS 46 H LYS 46 7.279 1.767 -0.869 359 HA LYS 46 HA LYS 46 9.638 1.389 -2.317 360 HB2 LYS 46 2HB LYS 46 8.868 1.569 0.413 361 HB3 LYS 46 1HB LYS 46 9.912 0.164 0.241 362 HG2 LYS 46 2HG LYS 46 11.173 2.178 0.812 363 HG3 LYS 46 1HG LYS 46 11.639 1.539 -0.765 364 HD2 LYS 46 2HD LYS 46 11.465 3.939 -0.902 365 HD3 LYS 46 1HD LYS 46 10.155 3.211 -1.832 366 HE2 LYS 46 2HE LYS 46 8.626 3.587 0.051 367 HE3 LYS 46 1HE LYS 46 9.935 4.343 0.958 368 HZ1 LYS 46 1HZ LYS 46 8.488 5.980 -0.107 369 HZ2 LYS 46 2HZ LYS 46 8.847 5.329 -1.632 370 HZ3 LYS 46 3HZ LYS 46 10.070 6.068 -0.717 371 H THR 47 H THR 47 7.527 -1.028 -0.775 372 HA THR 47 HA THR 47 9.129 -3.265 -1.401 373 HB THR 47 HB THR 47 6.123 -3.193 -1.055 374 HG1 THR 47 1HG THR 47 6.967 -2.373 0.804 375 HG21 THR 47 1HG2 THR 47 6.945 -5.299 -2.006 376 HG22 THR 47 2HG2 THR 47 6.382 -5.531 -0.350 377 HG23 THR 47 3HG2 THR 47 8.110 -5.443 -0.691 378 H TYR 48 H TYR 48 6.405 -1.755 -3.098 379 HA TYR 48 HA TYR 48 6.279 -3.501 -5.287 380 HD1 TYR 48 1HD TYR 48 3.838 -3.177 -6.942 381 HD2 TYR 48 2HD TYR 48 6.221 0.340 -7.154 382 HE1 TYR 48 1HE TYR 48 3.313 -2.971 -9.335 383 HE2 TYR 48 2HE TYR 48 5.700 0.559 -9.546 384 HH TYR 48 HH TYR 48 3.225 -1.065 -11.056 385 HB2 TYR 48 2HB TYR 48 4.501 -1.929 -4.904 386 HB3 TYR 48 1HB TYR 48 5.605 -0.565 -5.025 387 H GLU 49 H GLU 49 8.074 -0.483 -4.840 388 HA GLU 49 HA GLU 49 9.211 -0.399 -7.429 389 HB2 GLU 49 2HB GLU 49 8.984 1.356 -5.403 390 HB3 GLU 49 1HB GLU 49 10.644 0.847 -5.135 391 HG2 GLU 49 2HG GLU 49 9.635 1.871 -7.773 392 HG3 GLU 49 1HG GLU 49 10.331 2.905 -6.529 393 H ALA 50 H ALA 50 10.389 -1.665 -4.329 394 HA ALA 50 HA ALA 50 12.991 -2.311 -5.140 395 HB1 ALA 50 1HB ALA 50 12.277 -2.287 -2.800 396 HB2 ALA 50 2HB ALA 50 13.042 -3.817 -3.225 397 HB3 ALA 50 3HB ALA 50 11.286 -3.718 -3.088 398 H TYR 51 H TYR 51 10.007 -4.254 -5.234 399 HA TYR 51 HA TYR 51 11.348 -6.515 -6.359 400 HD1 TYR 51 2HD TYR 51 10.059 -9.143 -6.092 401 HD2 TYR 51 1HD TYR 51 8.958 -6.050 -3.385 402 HE1 TYR 51 2HE TYR 51 10.479 -10.656 -4.202 403 HE2 TYR 51 1HE TYR 51 9.377 -7.559 -1.486 404 HH TYR 51 HH TYR 51 11.023 -10.522 -1.829 405 HB2 TYR 51 2HB TYR 51 8.508 -5.829 -5.750 406 HB3 TYR 51 1HB TYR 51 8.836 -7.155 -6.860 407 H ARG 52 H ARG 52 9.697 -3.707 -7.668 408 HA ARG 52 HA ARG 52 9.515 -4.750 -10.318 409 HE ARG 52 HE ARG 52 11.327 0.685 -10.191 410 HB2 ARG 52 2HB ARG 52 8.600 -2.724 -10.919 411 HB3 ARG 52 1HB ARG 52 8.294 -2.686 -9.196 412 HG2 ARG 52 2HG ARG 52 9.091 -0.581 -9.519 413 HG3 ARG 52 1HG ARG 52 10.597 -1.420 -9.145 414 HD2 ARG 52 2HD ARG 52 11.019 -1.677 -11.566 415 HD3 ARG 52 1HD ARG 52 9.550 -0.763 -11.898 416 HH11 ARG 52 1HH1 ARG 52 10.786 -0.244 -13.529 417 HH12 ARG 52 2HH1 ARG 52 11.603 1.135 -14.187 418 HH21 ARG 52 1HH2 ARG 52 12.406 2.509 -11.053 419 HH22 ARG 52 2HH2 ARG 52 12.508 2.722 -12.776 420 H GLN 53 H GLN 53 11.883 -2.819 -8.551 421 HA GLN 53 HA GLN 53 13.699 -2.476 -10.720 422 HB2 GLN 53 2HB GLN 53 13.772 -1.029 -8.768 423 HB3 GLN 53 1HB GLN 53 14.107 -2.399 -7.722 424 HG2 GLN 53 2HG GLN 53 16.279 -2.696 -8.772 425 HG3 GLN 53 1HG GLN 53 15.936 -1.367 -9.880 426 HE21 GLN 53 1HE2 GLN 53 16.027 0.729 -9.144 427 HE22 GLN 53 2HE2 GLN 53 16.678 1.158 -7.603 428 H LEU 54 H LEU 54 13.276 -4.924 -8.226 429 HA LEU 54 HA LEU 54 15.531 -6.491 -8.771 430 HG LEU 54 HG LEU 54 14.209 -9.302 -8.586 431 HB2 LEU 54 2HB LEU 54 14.024 -6.837 -6.849 432 HB3 LEU 54 1HB LEU 54 12.768 -7.386 -7.940 433 HD11 LEU 54 1HD1 LEU 54 15.995 -8.265 -6.390 434 HD12 LEU 54 2HD1 LEU 54 16.381 -8.341 -8.108 435 HD13 LEU 54 3HD1 LEU 54 16.158 -9.829 -7.190 436 HD21 LEU 54 1HD2 LEU 54 12.504 -9.577 -6.884 437 HD22 LEU 54 2HD2 LEU 54 13.624 -9.021 -5.641 438 HD23 LEU 54 3HD2 LEU 54 13.928 -10.540 -6.484 439 H ASP 55 H ASP 55 12.288 -6.484 -10.215 440 HA ASP 55 HA ASP 55 12.788 -8.574 -12.063 441 HB2 ASP 55 2HB ASP 55 10.507 -7.827 -11.454 442 HB3 ASP 55 1HB ASP 55 10.796 -6.307 -12.298 443 H GLU 56 H GLU 56 13.071 -5.059 -12.260 444 HA GLU 56 HA GLU 56 13.790 -4.835 -14.945 445 HB2 GLU 56 2HB GLU 56 14.627 -3.203 -12.541 446 HB3 GLU 56 1HB GLU 56 15.013 -2.749 -14.191 447 HG2 GLU 56 2HG GLU 56 12.213 -3.131 -13.164 448 HG3 GLU 56 1HG GLU 56 13.048 -1.580 -13.219 449 H PHE 57 H PHE 57 15.747 -5.596 -12.117 450 HA PHE 57 HA PHE 57 18.205 -5.741 -13.512 451 HD1 PHE 57 1HD PHE 57 20.394 -5.286 -11.905 452 HD2 PHE 57 2HD PHE 57 18.762 -9.118 -11.020 453 HE1 PHE 57 1HE PHE 57 22.663 -6.226 -11.795 454 HE2 PHE 57 2HE PHE 57 21.032 -10.059 -10.909 455 HZ PHE 57 HZ PHE 57 22.984 -8.612 -11.298 456 HB2 PHE 57 2HB PHE 57 18.044 -5.605 -11.042 457 HB3 PHE 57 1HB PHE 57 17.369 -7.231 -11.015 458 H ARG 58 H ARG 58 15.712 -8.145 -12.755 459 HA ARG 58 HA ARG 58 17.070 -10.406 -13.685 460 HE ARG 58 HE ARG 58 12.490 -10.543 -12.576 461 HB2 ARG 58 2HB ARG 58 14.107 -9.842 -13.533 462 HB3 ARG 58 1HB ARG 58 14.807 -11.417 -13.835 463 HG2 ARG 58 2HG ARG 58 15.964 -11.253 -11.635 464 HG3 ARG 58 1HG ARG 58 15.053 -9.771 -11.339 465 HD2 ARG 58 2HD ARG 58 13.928 -12.536 -11.778 466 HD3 ARG 58 1HD ARG 58 13.942 -11.629 -10.268 467 HH11 ARG 58 1HH1 ARG 58 12.446 -11.885 -9.328 468 HH12 ARG 58 2HH1 ARG 58 10.782 -11.459 -9.061 469 HH21 ARG 58 1HH2 ARG 58 10.302 -10.017 -12.209 470 HH22 ARG 58 2HH2 ARG 58 9.569 -10.423 -10.673 471 H LYS 59 H LYS 59 14.858 -8.174 -15.364 472 HA LYS 59 HA LYS 59 14.842 -9.689 -17.781 473 HB2 LYS 59 2HB LYS 59 13.799 -7.670 -18.772 474 HB3 LYS 59 1HB LYS 59 13.019 -8.181 -17.281 475 HG2 LYS 59 2HG LYS 59 14.563 -6.462 -16.147 476 HG3 LYS 59 1HG LYS 59 14.771 -5.814 -17.773 477 HD2 LYS 59 2HD LYS 59 12.059 -6.279 -16.569 478 HD3 LYS 59 1HD LYS 59 12.952 -4.779 -16.321 479 HE2 LYS 59 2HE LYS 59 13.091 -4.567 -18.816 480 HE3 LYS 59 1HE LYS 59 11.980 -5.934 -18.925 481 HZ1 LYS 59 1HZ LYS 59 10.305 -4.701 -17.801 482 HZ2 LYS 59 2HZ LYS 59 10.908 -3.702 -19.030 483 HZ3 LYS 59 3HZ LYS 59 11.378 -3.449 -17.419 484 H SER 60 H SER 60 16.879 -7.131 -16.530 485 HA SER 60 HA SER 60 18.154 -6.594 -19.033 486 HG SER 60 HG SER 60 17.189 -4.768 -16.520 487 HB2 SER 60 2HB SER 60 19.016 -5.875 -16.223 488 HB3 SER 60 1HB SER 60 19.695 -5.205 -17.708 489 H THR 61 H THR 61 18.975 -8.512 -16.168 490 HA THR 61 HA THR 61 21.536 -9.271 -17.171 491 HB THR 61 HB THR 61 21.000 -9.335 -14.738 492 HG1 THR 61 1HG THR 61 21.713 -11.936 -15.640 493 HG21 THR 61 1HG2 THR 61 18.745 -10.279 -14.859 494 HG22 THR 61 2HG2 THR 61 19.790 -11.252 -13.821 495 HG23 THR 61 3HG2 THR 61 19.409 -11.799 -15.455 496 H ALA 62 H ALA 62 18.298 -10.484 -17.553 497 HA ALA 62 HA ALA 62 18.871 -13.046 -18.539 498 HB1 ALA 62 1HB ALA 62 16.660 -12.999 -19.522 499 HB2 ALA 62 2HB ALA 62 16.595 -11.243 -19.359 500 HB3 ALA 62 3HB ALA 62 16.611 -12.262 -17.921 501 H SER 63 H SER 63 18.401 -9.969 -20.264 502 HA SER 63 HA SER 63 18.944 -10.983 -22.832 503 HG SER 63 HG SER 63 19.623 -7.595 -23.787 504 HB2 SER 63 2HB SER 63 17.811 -8.829 -22.433 505 HB3 SER 63 1HB SER 63 19.310 -8.166 -21.784 506 H LEU 64 H LEU 64 20.997 -9.871 -20.246 507 HA LEU 64 HA LEU 64 23.368 -9.570 -21.788 508 HG LEU 64 HG LEU 64 24.951 -8.244 -18.740 509 HB2 LEU 64 2HB LEU 64 22.675 -8.720 -19.368 510 HB3 LEU 64 1HB LEU 64 23.459 -10.208 -18.877 511 HD11 LEU 64 1HD1 LEU 64 25.766 -10.284 -20.802 512 HD12 LEU 64 2HD1 LEU 64 25.947 -10.428 -19.053 513 HD13 LEU 64 3HD1 LEU 64 26.862 -9.206 -19.937 514 HD21 LEU 64 1HD2 LEU 64 24.619 -8.159 -21.733 515 HD22 LEU 64 2HD2 LEU 64 25.764 -7.199 -20.794 516 HD23 LEU 64 3HD2 LEU 64 24.029 -6.960 -20.584 517 H GLU 65 H GLU 65 22.134 -12.133 -19.665 518 HA GLU 65 HA GLU 65 24.360 -13.858 -20.027 519 HB2 GLU 65 2HB GLU 65 21.581 -14.282 -18.969 520 HB3 GLU 65 1HB GLU 65 22.782 -15.542 -19.026 521 HG2 GLU 65 2HG GLU 65 24.238 -14.081 -17.593 522 HG3 GLU 65 1HG GLU 65 22.828 -13.036 -17.396 523 H HIS 66 H HIS 66 21.827 -13.084 -22.035 524 HA HIS 66 HA HIS 66 20.690 -14.045 -23.762 525 HD1 HIS 66 1HD HIS 66 22.344 -18.065 -25.233 526 HD2 HIS 66 2HD HIS 66 20.426 -14.543 -26.345 527 HE1 HIS 66 1HE HIS 66 21.017 -18.630 -27.293 528 HE2 HIS 66 2HE HIS 66 20.065 -16.434 -28.074 529 HB2 HIS 66 2HB HIS 66 22.978 -14.737 -24.540 530 HB3 HIS 66 1HB HIS 66 22.790 -16.236 -23.640 531 H HIS 67 H HIS 67 20.279 -14.492 -20.993 532 HA HIS 67 HA HIS 67 19.428 -17.191 -20.482 533 HD1 HIS 67 1HD HIS 67 20.089 -16.320 -16.403 534 HD2 HIS 67 2HD HIS 67 16.628 -16.935 -18.626 535 HE1 HIS 67 1HE HIS 67 18.516 -17.561 -14.883 536 HE2 HIS 67 2HE HIS 67 16.343 -17.644 -16.155 537 HB2 HIS 67 2HB HIS 67 20.362 -15.636 -18.761 538 HB3 HIS 67 1HB HIS 67 18.957 -14.609 -18.959 539 H HIS 68 H HIS 68 17.753 -17.755 -21.863 540 HA HIS 68 HA HIS 68 15.400 -15.971 -21.823 541 HD1 HIS 68 1HD HIS 68 15.626 -14.218 -24.813 542 HD2 HIS 68 2HD HIS 68 13.082 -17.477 -24.354 543 HE1 HIS 68 1HE HIS 68 13.413 -13.494 -25.766 544 HE2 HIS 68 2HE HIS 68 11.841 -15.401 -25.266 545 HB2 HIS 68 2HB HIS 68 16.817 -16.253 -24.014 546 HB3 HIS 68 1HB HIS 68 15.967 -17.787 -24.141 547 H HIS 69 H HIS 69 16.531 -18.896 -20.779 548 HA HIS 69 HA HIS 69 13.802 -19.976 -20.737 549 HD1 HIS 69 1HD HIS 69 16.240 -23.495 -19.866 550 HD2 HIS 69 2HD HIS 69 17.946 -20.770 -22.506 551 HE1 HIS 69 1HE HIS 69 18.703 -24.010 -19.877 552 HE2 HIS 69 2HE HIS 69 19.734 -22.235 -21.340 553 HB2 HIS 69 2HB HIS 69 14.533 -22.213 -21.229 554 HB3 HIS 69 1HB HIS 69 15.121 -21.150 -22.498 555 H HIS 70 H HIS 70 13.627 -21.822 -19.120 556 HA HIS 70 HA HIS 70 14.961 -20.954 -16.654 557 HD1 HIS 70 1HD HIS 70 10.428 -21.194 -17.282 558 HD2 HIS 70 2HD HIS 70 13.567 -19.151 -15.479 559 HE1 HIS 70 1HE HIS 70 9.568 -18.868 -16.852 560 HE2 HIS 70 2HE HIS 70 11.400 -17.743 -15.531 561 HB2 HIS 70 2HB HIS 70 12.455 -22.581 -17.115 562 HB3 HIS 70 1HB HIS 70 13.151 -22.293 -15.526 563 H HIS 71 H HIS 71 14.936 -22.952 -15.017 564 HA HIS 71 HA HIS 71 16.582 -25.035 -16.265 565 HD1 HIS 71 1HD HIS 71 19.498 -24.843 -14.686 566 HD2 HIS 71 2HD HIS 71 16.915 -21.728 -13.729 567 HE1 HIS 71 1HE HIS 71 20.928 -22.772 -14.615 568 HE2 HIS 71 2HE HIS 71 19.370 -20.926 -13.883 569 HB2 HIS 71 2HB HIS 71 16.088 -24.435 -13.335 570 HB3 HIS 71 1HB HIS 71 17.209 -25.638 -13.963 571 HA MET 1 HA MET 1 -24.681 24.481 5.093 572 H1 MET 1 1H MET 1 -25.170 26.315 3.645 573 H2 MET 1 2H MET 1 -26.338 26.906 4.721 574 H3 MET 1 3H MET 1 -26.573 25.414 3.948 575 HB2 MET 1 2HB MET 1 -23.363 26.497 5.362 576 HB3 MET 1 1HB MET 1 -24.586 27.199 6.410 577 HG2 MET 1 2HG MET 1 -24.146 25.522 8.101 578 HG3 MET 1 1HG MET 1 -22.980 24.733 7.041 579 HE1 MET 1 1HE MET 1 -21.334 27.051 5.740 580 HE2 MET 1 2HE MET 1 -20.616 25.625 6.488 581 HE3 MET 1 3HE MET 1 -20.031 27.234 6.914 582 H SER 2 H SER 2 -26.096 23.046 5.871 583 HA SER 2 HA SER 2 -27.046 23.535 8.563 584 HG SER 2 HG SER 2 -28.375 25.059 7.277 585 HB2 SER 2 2HB SER 2 -28.965 22.574 6.431 586 HB3 SER 2 1HB SER 2 -29.319 22.720 8.147 587 H GLU 3 H GLU 3 -26.840 21.722 9.770 588 HA GLU 3 HA GLU 3 -25.679 19.455 8.388 589 HB2 GLU 3 2HB GLU 3 -24.666 18.829 10.436 590 HB3 GLU 3 1HB GLU 3 -24.474 20.562 10.290 591 HG2 GLU 3 2HG GLU 3 -26.547 19.193 11.990 592 HG3 GLU 3 1HG GLU 3 -25.008 19.809 12.577 593 H GLY 4 H GLY 4 -26.634 17.642 8.128 594 HA2 GLY 4 2HA GLY 4 -28.923 16.927 9.851 595 HA3 GLY 4 1HA GLY 4 -28.873 16.536 8.136 596 H ALA 5 H ALA 5 -28.451 15.285 11.120 597 HA ALA 5 HA ALA 5 -25.952 13.962 10.876 598 HB1 ALA 5 1HB ALA 5 -28.228 13.342 12.738 599 HB2 ALA 5 2HB ALA 5 -26.965 14.538 13.029 600 HB3 ALA 5 3HB ALA 5 -26.552 12.826 12.918 601 H GLU 6 H GLU 6 -29.115 13.168 9.765 602 HA GLU 6 HA GLU 6 -28.795 10.337 9.849 603 HB2 GLU 6 2HB GLU 6 -30.748 11.968 8.226 604 HB3 GLU 6 1HB GLU 6 -30.884 10.258 8.621 605 HG2 GLU 6 2HG GLU 6 -30.863 10.967 11.047 606 HG3 GLU 6 1HG GLU 6 -31.098 12.611 10.466 607 H GLU 7 H GLU 7 -28.628 12.719 7.235 608 HA GLU 7 HA GLU 7 -27.900 10.801 5.246 609 HB2 GLU 7 2HB GLU 7 -28.948 13.153 4.946 610 HB3 GLU 7 1HB GLU 7 -27.299 13.742 5.071 611 HG2 GLU 7 2HG GLU 7 -26.638 12.479 3.145 612 HG3 GLU 7 1HG GLU 7 -28.223 11.712 3.056 613 H LEU 8 H LEU 8 -26.179 12.897 7.438 614 HA LEU 8 HA LEU 8 -23.580 12.432 6.483 615 HG LEU 8 HG LEU 8 -22.357 14.301 7.440 616 HB2 LEU 8 2HB LEU 8 -24.847 13.475 8.924 617 HB3 LEU 8 1HB LEU 8 -23.266 12.776 9.170 618 HD11 LEU 8 1HD1 LEU 8 -24.399 14.658 6.163 619 HD12 LEU 8 2HD1 LEU 8 -23.687 16.187 6.675 620 HD13 LEU 8 3HD1 LEU 8 -25.097 15.544 7.518 621 HD21 LEU 8 1HD2 LEU 8 -23.795 15.645 9.724 622 HD22 LEU 8 2HD2 LEU 8 -22.451 16.329 8.810 623 HD23 LEU 8 3HD2 LEU 8 -22.204 14.888 9.796 624 H LYS 9 H LYS 9 -25.650 10.707 8.745 625 HA LYS 9 HA LYS 9 -23.781 8.770 9.589 626 HB2 LYS 9 2HB LYS 9 -26.072 9.366 10.584 627 HB3 LYS 9 1HB LYS 9 -26.753 8.333 9.339 628 HG2 LYS 9 2HG LYS 9 -25.524 6.431 10.217 629 HG3 LYS 9 1HG LYS 9 -24.792 7.461 11.451 630 HD2 LYS 9 2HD LYS 9 -27.093 7.992 12.268 631 HD3 LYS 9 1HD LYS 9 -27.717 6.793 11.134 632 HE2 LYS 9 2HE LYS 9 -26.367 5.068 12.232 633 HE3 LYS 9 1HE LYS 9 -25.771 6.269 13.375 634 HZ1 LYS 9 1HZ LYS 9 -28.112 6.625 14.060 635 HZ2 LYS 9 2HZ LYS 9 -27.534 5.072 14.395 636 HZ3 LYS 9 3HZ LYS 9 -28.567 5.322 13.072 637 H ALA 10 H ALA 10 -26.107 8.847 6.933 638 HA ALA 10 HA ALA 10 -25.606 6.247 5.946 639 HB1 ALA 10 1HB ALA 10 -27.555 7.565 5.267 640 HB2 ALA 10 2HB ALA 10 -26.621 7.036 3.868 641 HB3 ALA 10 3HB ALA 10 -26.497 8.703 4.430 642 H LYS 11 H LYS 11 -24.173 9.393 5.223 643 HA LYS 11 HA LYS 11 -22.334 8.600 3.260 644 HB2 LYS 11 2HB LYS 11 -22.930 10.951 3.940 645 HB3 LYS 11 1HB LYS 11 -21.956 10.733 5.378 646 HG2 LYS 11 2HG LYS 11 -20.775 10.445 2.633 647 HG3 LYS 11 1HG LYS 11 -20.946 12.016 3.412 648 HD2 LYS 11 2HD LYS 11 -19.769 10.641 5.399 649 HD3 LYS 11 1HD LYS 11 -19.103 9.786 4.008 650 HE2 LYS 11 2HE LYS 11 -18.954 12.748 4.550 651 HE3 LYS 11 1HE LYS 11 -17.631 11.594 4.673 652 HZ1 LYS 11 1HZ LYS 11 -19.030 12.476 2.205 653 HZ2 LYS 11 2HZ LYS 11 -17.936 11.180 2.243 654 HZ3 LYS 11 3HZ LYS 11 -17.410 12.746 2.630 655 H LEU 12 H LEU 12 -21.904 8.874 6.779 656 HA LEU 12 HA LEU 12 -19.299 7.837 6.905 657 HG LEU 12 HG LEU 12 -19.775 6.108 9.533 658 HB2 LEU 12 2HB LEU 12 -20.302 8.988 8.784 659 HB3 LEU 12 1HB LEU 12 -21.537 7.752 8.927 660 HD11 LEU 12 1HD1 LEU 12 -17.882 7.184 8.437 661 HD12 LEU 12 2HD1 LEU 12 -17.556 6.916 10.150 662 HD13 LEU 12 3HD1 LEU 12 -17.978 8.529 9.574 663 HD21 LEU 12 1HD2 LEU 12 -19.901 8.574 11.265 664 HD22 LEU 12 2HD2 LEU 12 -19.408 6.965 11.792 665 HD23 LEU 12 3HD2 LEU 12 -21.064 7.249 11.257 666 H LYS 13 H LYS 13 -22.446 6.259 7.041 667 HA LYS 13 HA LYS 13 -21.634 3.665 7.659 668 HB2 LYS 13 2HB LYS 13 -23.988 4.499 7.566 669 HB3 LYS 13 1HB LYS 13 -23.894 4.452 5.814 670 HG2 LYS 13 2HG LYS 13 -25.037 2.496 6.662 671 HG3 LYS 13 1HG LYS 13 -23.514 2.043 5.894 672 HD2 LYS 13 2HD LYS 13 -22.447 1.883 8.083 673 HD3 LYS 13 1HD LYS 13 -23.955 2.368 8.861 674 HE2 LYS 13 2HE LYS 13 -23.552 -0.108 7.192 675 HE3 LYS 13 1HE LYS 13 -23.616 -0.055 8.953 676 HZ1 LYS 13 1HZ LYS 13 -25.743 -0.707 8.157 677 HZ2 LYS 13 2HZ LYS 13 -25.813 0.574 7.058 678 HZ3 LYS 13 3HZ LYS 13 -25.897 0.885 8.719 679 H LYS 14 H LYS 14 -22.103 5.173 4.481 680 HA LYS 14 HA LYS 14 -21.400 2.953 2.931 681 HB2 LYS 14 2HB LYS 14 -22.496 5.264 2.353 682 HB3 LYS 14 1HB LYS 14 -20.837 5.755 2.046 683 HG2 LYS 14 2HG LYS 14 -20.590 4.227 0.294 684 HG3 LYS 14 1HG LYS 14 -22.037 3.329 0.765 685 HD2 LYS 14 2HD LYS 14 -22.579 4.646 -1.142 686 HD3 LYS 14 1HD LYS 14 -23.378 5.364 0.249 687 HE2 LYS 14 2HE LYS 14 -22.429 7.119 -1.090 688 HE3 LYS 14 1HE LYS 14 -21.523 6.994 0.417 689 HZ1 LYS 14 1HZ LYS 14 -20.682 5.849 -2.198 690 HZ2 LYS 14 2HZ LYS 14 -19.801 5.763 -0.752 691 HZ3 LYS 14 3HZ LYS 14 -20.062 7.261 -1.496 692 H LEU 15 H LEU 15 -19.450 5.510 4.376 693 HA LEU 15 HA LEU 15 -17.011 4.762 3.100 694 HG LEU 15 HG LEU 15 -18.251 7.587 3.599 695 HB2 LEU 15 2HB LEU 15 -17.564 6.381 5.581 696 HB3 LEU 15 1HB LEU 15 -15.958 6.140 4.924 697 HD11 LEU 15 1HD1 LEU 15 -16.741 9.516 3.780 698 HD12 LEU 15 2HD1 LEU 15 -15.582 8.514 4.652 699 HD13 LEU 15 3HD1 LEU 15 -17.162 8.852 5.359 700 HD21 LEU 15 1HD2 LEU 15 -16.953 6.325 1.950 701 HD22 LEU 15 2HD2 LEU 15 -15.466 7.048 2.565 702 HD23 LEU 15 3HD2 LEU 15 -16.685 8.059 1.788 703 H ASN 16 H ASN 16 -18.482 4.007 6.228 704 HA ASN 16 HA ASN 16 -16.341 2.610 7.370 705 HB2 ASN 16 2HB ASN 16 -18.499 3.336 8.502 706 HB3 ASN 16 1HB ASN 16 -19.261 1.927 7.774 707 HD21 ASN 16 1HD2 ASN 16 -19.010 2.505 10.553 708 HD22 ASN 16 2HD2 ASN 16 -18.057 1.239 11.264 709 H ALA 17 H ALA 17 -19.112 1.377 5.501 710 HA ALA 17 HA ALA 17 -18.318 -1.320 5.490 711 HB1 ALA 17 1HB ALA 17 -19.974 0.149 3.442 712 HB2 ALA 17 2HB ALA 17 -20.582 -0.570 4.934 713 HB3 ALA 17 3HB ALA 17 -19.907 -1.598 3.669 714 H GLN 18 H GLN 18 -17.516 1.366 3.364 715 HA GLN 18 HA GLN 18 -16.224 -0.159 1.353 716 HB2 GLN 18 2HB GLN 18 -17.014 2.174 1.051 717 HB3 GLN 18 1HB GLN 18 -15.749 2.724 2.140 718 HG2 GLN 18 2HG GLN 18 -14.060 1.843 0.579 719 HG3 GLN 18 1HG GLN 18 -15.357 1.373 -0.520 720 HE21 GLN 18 1HE2 GLN 18 -13.563 4.023 0.827 721 HE22 GLN 18 2HE2 GLN 18 -14.136 5.226 -0.272 722 H ALA 19 H ALA 19 -14.976 1.701 4.120 723 HA ALA 19 HA ALA 19 -12.261 1.120 3.747 724 HB1 ALA 19 1HB ALA 19 -11.963 1.821 6.056 725 HB2 ALA 19 2HB ALA 19 -13.699 1.680 6.339 726 HB3 ALA 19 3HB ALA 19 -13.080 2.898 5.222 727 H THR 20 H THR 20 -14.767 -0.583 5.560 728 HA THR 20 HA THR 20 -13.141 -2.520 6.751 729 HB THR 20 HB THR 20 -16.016 -2.799 5.849 730 HG1 THR 20 1HG THR 20 -15.877 -1.085 7.272 731 HG21 THR 20 1HG2 THR 20 -14.447 -4.335 7.926 732 HG22 THR 20 2HG2 THR 20 -15.027 -4.967 6.384 733 HG23 THR 20 3HG2 THR 20 -16.177 -4.489 7.635 734 H ALA 21 H ALA 21 -14.763 -2.489 3.595 735 HA ALA 21 HA ALA 21 -14.032 -5.104 2.814 736 HB1 ALA 21 1HB ALA 21 -14.604 -4.388 0.551 737 HB2 ALA 21 2HB ALA 21 -14.636 -2.707 1.085 738 HB3 ALA 21 3HB ALA 21 -15.820 -3.855 1.711 739 H LEU 22 H LEU 22 -12.501 -1.959 2.373 740 HA LEU 22 HA LEU 22 -10.396 -2.890 0.704 741 HG LEU 22 HG LEU 22 -12.356 -0.452 0.783 742 HB2 LEU 22 2HB LEU 22 -10.516 -0.428 2.442 743 HB3 LEU 22 1HB LEU 22 -9.372 -0.712 1.146 744 HD11 LEU 22 1HD1 LEU 22 -10.140 1.506 0.211 745 HD12 LEU 22 2HD1 LEU 22 -11.364 1.655 1.470 746 HD13 LEU 22 3HD1 LEU 22 -11.836 1.715 -0.228 747 HD21 LEU 22 1HD2 LEU 22 -11.342 -1.870 -0.907 748 HD22 LEU 22 2HD2 LEU 22 -10.112 -0.646 -1.222 749 HD23 LEU 22 3HD2 LEU 22 -11.801 -0.317 -1.606 750 H LYS 23 H LYS 23 -10.834 -2.638 4.160 751 HA LYS 23 HA LYS 23 -8.126 -2.893 4.913 752 HB2 LYS 23 2HB LYS 23 -10.004 -2.117 6.385 753 HB3 LYS 23 1HB LYS 23 -10.543 -3.787 6.484 754 HG2 LYS 23 2HG LYS 23 -8.506 -4.433 7.585 755 HG3 LYS 23 1HG LYS 23 -7.835 -2.814 7.370 756 HD2 LYS 23 2HD LYS 23 -8.610 -2.943 9.612 757 HD3 LYS 23 1HD LYS 23 -9.768 -1.949 8.729 758 HE2 LYS 23 2HE LYS 23 -11.055 -3.403 10.067 759 HE3 LYS 23 1HE LYS 23 -11.142 -4.051 8.430 760 HZ1 LYS 23 1HZ LYS 23 -9.477 -5.684 8.998 761 HZ2 LYS 23 2HZ LYS 23 -10.763 -5.776 10.096 762 HZ3 LYS 23 3HZ LYS 23 -9.313 -5.028 10.555 763 H MET 24 H MET 24 -10.722 -5.310 4.564 764 HA MET 24 HA MET 24 -9.046 -7.503 5.265 765 HB2 MET 24 2HB MET 24 -10.863 -8.932 4.502 766 HB3 MET 24 1HB MET 24 -11.498 -7.614 5.474 767 HG2 MET 24 2HG MET 24 -12.154 -6.438 3.433 768 HG3 MET 24 1HG MET 24 -11.541 -7.781 2.471 769 HE1 MET 24 1HE MET 24 -13.858 -8.007 1.226 770 HE2 MET 24 2HE MET 24 -14.464 -6.635 2.155 771 HE3 MET 24 3HE MET 24 -15.410 -8.121 2.058 772 H ASP 25 H ASP 25 -9.865 -5.913 2.251 773 HA ASP 25 HA ASP 25 -8.791 -7.831 0.483 774 HB2 ASP 25 2HB ASP 25 -10.259 -5.833 -0.105 775 HB3 ASP 25 1HB ASP 25 -8.816 -4.839 0.042 776 H LEU 26 H LEU 26 -7.390 -4.947 2.006 777 HA LEU 26 HA LEU 26 -4.794 -5.200 0.951 778 HG LEU 26 HG LEU 26 -3.229 -4.293 3.488 779 HB2 LEU 26 2HB LEU 26 -5.611 -3.156 2.022 780 HB3 LEU 26 1HB LEU 26 -5.698 -3.985 3.564 781 HD11 LEU 26 1HD1 LEU 26 -3.407 -2.468 1.094 782 HD12 LEU 26 2HD1 LEU 26 -2.935 -4.167 1.065 783 HD13 LEU 26 3HD1 LEU 26 -1.923 -2.985 1.897 784 HD21 LEU 26 1HD2 LEU 26 -4.244 -1.461 3.314 785 HD22 LEU 26 2HD2 LEU 26 -2.689 -1.945 3.989 786 HD23 LEU 26 3HD2 LEU 26 -4.185 -2.471 4.760 787 H HIS 27 H HIS 27 -6.251 -6.425 3.950 788 HA HIS 27 HA HIS 27 -3.948 -7.582 5.040 789 HD1 HIS 27 1HD HIS 27 -4.297 -8.201 8.072 790 HD2 HIS 27 2HD HIS 27 -6.237 -11.162 5.889 791 HE1 HIS 27 1HE HIS 27 -3.802 -10.361 9.264 792 HE2 HIS 27 2HE HIS 27 -4.752 -12.141 7.755 793 HB2 HIS 27 2HB HIS 27 -6.016 -7.311 6.329 794 HB3 HIS 27 1HB HIS 27 -6.821 -8.498 5.308 795 H ASP 28 H ASP 28 -6.383 -8.943 2.847 796 HA ASP 28 HA ASP 28 -5.280 -11.513 2.641 797 HB2 ASP 28 2HB ASP 28 -7.163 -9.884 1.048 798 HB3 ASP 28 1HB ASP 28 -6.358 -11.189 0.183 799 H LEU 29 H LEU 29 -4.661 -8.573 0.783 800 HA LEU 29 HA LEU 29 -2.903 -9.749 -1.091 801 HG LEU 29 HG LEU 29 -1.020 -7.372 -1.551 802 HB2 LEU 29 2HB LEU 29 -4.030 -7.566 -1.391 803 HB3 LEU 29 1HB LEU 29 -3.012 -6.888 -0.137 804 HD11 LEU 29 1HD1 LEU 29 -1.960 -9.191 -2.877 805 HD12 LEU 29 2HD1 LEU 29 -1.359 -7.895 -3.911 806 HD13 LEU 29 3HD1 LEU 29 -3.091 -8.066 -3.629 807 HD21 LEU 29 1HD2 LEU 29 -1.424 -5.558 -3.147 808 HD22 LEU 29 2HD2 LEU 29 -2.028 -5.159 -1.539 809 HD23 LEU 29 3HD2 LEU 29 -3.153 -5.650 -2.805 810 H ALA 30 H ALA 30 -2.425 -8.366 2.095 811 HA ALA 30 HA ALA 30 0.375 -8.128 2.041 812 HB1 ALA 30 1HB ALA 30 0.236 -8.045 4.486 813 HB2 ALA 30 2HB ALA 30 -1.435 -8.604 4.405 814 HB3 ALA 30 3HB ALA 30 -0.997 -7.037 3.728 815 H GLU 31 H GLU 31 -1.718 -10.838 2.985 816 HA GLU 31 HA GLU 31 0.590 -12.480 3.543 817 HB2 GLU 31 2HB GLU 31 -1.202 -14.256 3.885 818 HB3 GLU 31 1HB GLU 31 -1.130 -12.922 5.008 819 HG2 GLU 31 2HG GLU 31 -2.977 -11.843 3.732 820 HG3 GLU 31 1HG GLU 31 -3.109 -13.333 2.795 821 H ASP 32 H ASP 32 -1.497 -11.822 0.922 822 HA ASP 32 HA ASP 32 -0.704 -14.154 -0.606 823 HB2 ASP 32 2HB ASP 32 -2.932 -13.053 -0.894 824 HB3 ASP 32 1HB ASP 32 -2.112 -11.654 -1.578 825 H LEU 33 H LEU 33 1.191 -11.980 0.440 826 HA LEU 33 HA LEU 33 2.420 -10.569 -1.548 827 HG LEU 33 HG LEU 33 2.325 -9.470 0.946 828 HB2 LEU 33 2HB LEU 33 3.312 -11.711 1.017 829 HB3 LEU 33 1HB LEU 33 4.572 -11.200 -0.094 830 HD11 LEU 33 1HD1 LEU 33 5.284 -9.401 1.514 831 HD12 LEU 33 2HD1 LEU 33 4.024 -9.929 2.629 832 HD13 LEU 33 3HD1 LEU 33 4.088 -8.247 2.101 833 HD21 LEU 33 1HD2 LEU 33 3.480 -7.639 -0.212 834 HD22 LEU 33 2HD2 LEU 33 2.909 -8.867 -1.346 835 HD23 LEU 33 3HD2 LEU 33 4.616 -8.797 -0.902 836 HA PRO 34 HA PRO 34 5.393 -11.394 -4.381 837 HB2 PRO 34 2HB PRO 34 5.652 -14.195 -3.330 838 HB3 PRO 34 1HB PRO 34 6.727 -13.340 -4.456 839 HG2 PRO 34 2HG PRO 34 6.956 -13.229 -1.666 840 HG3 PRO 34 1HG PRO 34 7.634 -12.034 -2.788 841 HD2 PRO 34 2HD PRO 34 5.634 -11.502 -0.868 842 HD3 PRO 34 1HD PRO 34 5.976 -10.485 -2.293 843 H THR 35 H THR 35 2.395 -12.284 -3.695 844 HA THR 35 HA THR 35 2.002 -12.496 -6.595 845 HB THR 35 HB THR 35 -0.052 -13.473 -4.619 846 HG1 THR 35 1HG THR 35 2.000 -14.701 -4.542 847 HG21 THR 35 1HG2 THR 35 0.375 -13.985 -7.563 848 HG22 THR 35 2HG2 THR 35 -0.864 -12.948 -6.854 849 HG23 THR 35 3HG2 THR 35 -0.908 -14.692 -6.584 850 H GLY 36 H GLY 36 0.132 -11.225 -7.303 851 HA2 GLY 36 2HA GLY 36 -1.073 -9.271 -7.357 852 HA3 GLY 36 1HA GLY 36 -1.349 -9.531 -5.645 853 H TRP 37 H TRP 37 1.956 -9.320 -6.263 854 HA TRP 37 HA TRP 37 2.382 -7.014 -4.810 855 HD1 TRP 37 HD TRP 37 5.439 -6.284 -7.891 856 HE1 TRP 37 1HE TRP 37 5.850 -7.470 -10.138 857 HE3 TRP 37 3HE TRP 37 3.165 -10.741 -6.858 858 HZ2 TRP 37 2HZ TRP 37 5.276 -9.979 -11.311 859 HZ3 TRP 37 3HZ TRP 37 3.136 -12.482 -8.595 860 HH2 TRP 37 HH TRP 37 4.171 -12.109 -10.775 861 HB2 TRP 37 2HB TRP 37 4.664 -7.102 -5.531 862 HB3 TRP 37 1HB TRP 37 4.096 -8.760 -5.373 863 H ASN 38 H ASN 38 1.533 -7.345 -8.149 864 HA ASN 38 HA ASN 38 2.414 -4.770 -9.012 865 HB2 ASN 38 2HB ASN 38 1.933 -6.771 -10.488 866 HB3 ASN 38 1HB ASN 38 0.221 -6.470 -10.217 867 HD21 ASN 38 1HD2 ASN 38 2.766 -4.067 -10.664 868 HD22 ASN 38 2HD2 ASN 38 2.149 -3.434 -12.148 869 H ARG 39 H ARG 39 -0.188 -5.819 -7.091 870 HA ARG 39 HA ARG 39 -1.792 -3.429 -7.720 871 HE ARG 39 HE ARG 39 -6.623 -4.020 -7.541 872 HB2 ARG 39 2HB ARG 39 -2.780 -5.787 -7.893 873 HB3 ARG 39 1HB ARG 39 -2.717 -5.821 -6.136 874 HG2 ARG 39 2HG ARG 39 -4.128 -3.780 -6.105 875 HG3 ARG 39 1HG ARG 39 -4.282 -3.915 -7.857 876 HD2 ARG 39 2HD ARG 39 -5.192 -6.230 -7.497 877 HD3 ARG 39 1HD ARG 39 -5.230 -5.870 -5.771 878 HH11 ARG 39 1HH1 ARG 39 -6.815 -6.603 -5.161 879 HH12 ARG 39 2HH1 ARG 39 -8.533 -6.453 -4.965 880 HH21 ARG 39 1HH2 ARG 39 -8.886 -3.855 -7.298 881 HH22 ARG 39 2HH2 ARG 39 -9.721 -4.920 -6.201 882 H ILE 40 H ILE 40 0.552 -4.221 -5.639 883 HA ILE 40 HA ILE 40 -0.463 -3.914 -3.065 884 HB ILE 40 HB ILE 40 2.267 -3.254 -4.148 885 HG12 ILE 40 2HG1 ILE 40 1.232 -5.554 -2.480 886 HG13 ILE 40 1HG1 ILE 40 1.624 -5.627 -4.190 887 HG21 ILE 40 1HG2 ILE 40 3.055 -3.170 -1.834 888 HG22 ILE 40 2HG2 ILE 40 1.393 -3.319 -1.261 889 HG23 ILE 40 3HG2 ILE 40 1.891 -1.889 -2.167 890 HD11 ILE 40 1HD1 ILE 40 3.961 -5.119 -3.657 891 HD12 ILE 40 2HD1 ILE 40 3.390 -6.599 -2.888 892 HD13 ILE 40 3HD1 ILE 40 3.547 -5.118 -1.942 893 H MET 41 H MET 41 0.896 -1.381 -5.176 894 HA MET 41 HA MET 41 0.606 0.684 -3.255 895 HB2 MET 41 2HB MET 41 2.176 0.814 -5.162 896 HB3 MET 41 1HB MET 41 0.810 0.919 -6.265 897 HG2 MET 41 2HG MET 41 0.130 3.025 -5.181 898 HG3 MET 41 1HG MET 41 1.546 2.919 -4.136 899 HE1 MET 41 1HE MET 41 4.057 3.020 -5.049 900 HE2 MET 41 2HE MET 41 4.468 3.250 -6.748 901 HE3 MET 41 3HE MET 41 3.723 1.742 -6.220 902 H GLU 42 H GLU 42 -1.432 -0.551 -5.810 903 HA GLU 42 HA GLU 42 -3.376 1.467 -5.861 904 HB2 GLU 42 2HB GLU 42 -3.177 -0.357 -7.533 905 HB3 GLU 42 1HB GLU 42 -3.744 -1.500 -6.328 906 HG2 GLU 42 2HG GLU 42 -5.868 -0.263 -6.195 907 HG3 GLU 42 1HG GLU 42 -5.298 0.803 -7.479 908 H VAL 43 H VAL 43 -3.511 -1.678 -4.203 909 HA VAL 43 HA VAL 43 -5.903 -1.170 -2.817 910 HB VAL 43 HB VAL 43 -3.686 -3.055 -1.996 911 HG11 VAL 43 1HG1 VAL 43 -5.441 -4.289 -0.841 912 HG12 VAL 43 2HG1 VAL 43 -6.621 -3.065 -1.312 913 HG13 VAL 43 3HG1 VAL 43 -5.304 -2.646 -0.216 914 HG21 VAL 43 1HG2 VAL 43 -6.074 -3.503 -3.778 915 HG22 VAL 43 2HG2 VAL 43 -4.999 -4.768 -3.184 916 HG23 VAL 43 3HG2 VAL 43 -4.378 -3.519 -4.264 917 H ALA 44 H ALA 44 -2.512 -0.766 -1.829 918 HA ALA 44 HA ALA 44 -2.980 -0.059 0.837 919 HB1 ALA 44 1HB ALA 44 -0.775 -0.636 -0.070 920 HB2 ALA 44 2HB ALA 44 -0.750 0.887 0.820 921 HB3 ALA 44 3HB ALA 44 -0.745 0.894 -0.945 922 H GLU 45 H GLU 45 -2.951 1.907 -2.102 923 HA GLU 45 HA GLU 45 -3.186 4.425 -0.844 924 HB2 GLU 45 2HB GLU 45 -2.611 4.102 -3.234 925 HB3 GLU 45 1HB GLU 45 -4.259 3.581 -3.538 926 HG2 GLU 45 2HG GLU 45 -5.081 5.769 -2.825 927 HG3 GLU 45 1HG GLU 45 -3.423 6.294 -2.549 928 H LYS 46 H LYS 46 -5.575 2.098 -1.993 929 HA LYS 46 HA LYS 46 -7.909 3.556 -1.569 930 HB2 LYS 46 2HB LYS 46 -7.485 0.595 -1.213 931 HB3 LYS 46 1HB LYS 46 -9.048 1.384 -1.330 932 HG2 LYS 46 2HG LYS 46 -8.480 2.118 -3.607 933 HG3 LYS 46 1HG LYS 46 -6.950 1.238 -3.476 934 HD2 LYS 46 2HD LYS 46 -8.241 -0.810 -2.980 935 HD3 LYS 46 1HD LYS 46 -9.723 0.085 -3.294 936 HE2 LYS 46 2HE LYS 46 -8.954 0.523 -5.583 937 HE3 LYS 46 1HE LYS 46 -7.500 -0.423 -5.263 938 HZ1 LYS 46 1HZ LYS 46 -9.126 -1.773 -6.384 939 HZ2 LYS 46 2HZ LYS 46 -10.298 -1.418 -5.214 940 HZ3 LYS 46 3HZ LYS 46 -8.938 -2.342 -4.795 941 H THR 47 H THR 47 -6.216 1.351 0.628 942 HA THR 47 HA THR 47 -8.035 1.575 2.758 943 HB THR 47 HB THR 47 -5.091 0.951 3.020 944 HG1 THR 47 1HG THR 47 -7.049 -1.035 2.588 945 HG21 THR 47 1HG2 THR 47 -6.327 1.172 5.126 946 HG22 THR 47 2HG2 THR 47 -5.845 -0.500 4.841 947 HG23 THR 47 3HG2 THR 47 -7.513 -0.002 4.556 948 H TYR 48 H TYR 48 -5.045 3.340 2.010 949 HA TYR 48 HA TYR 48 -4.966 4.847 4.403 950 HD1 TYR 48 1HD TYR 48 -2.493 5.733 5.126 951 HD2 TYR 48 2HD TYR 48 -3.713 7.898 1.674 952 HE1 TYR 48 1HE TYR 48 -1.572 7.792 6.100 953 HE2 TYR 48 2HE TYR 48 -2.793 9.966 2.638 954 HH TYR 48 HH TYR 48 -2.196 10.895 4.791 955 HB2 TYR 48 2HB TYR 48 -3.020 4.608 2.910 956 HB3 TYR 48 1HB TYR 48 -3.850 5.551 1.675 957 H GLU 49 H GLU 49 -6.276 5.556 1.191 958 HA GLU 49 HA GLU 49 -7.177 8.176 1.708 959 HB2 GLU 49 2HB GLU 49 -6.961 6.990 -0.538 960 HB3 GLU 49 1HB GLU 49 -8.465 6.167 -0.163 961 HG2 GLU 49 2HG GLU 49 -9.106 7.931 -1.528 962 HG3 GLU 49 1HG GLU 49 -9.470 8.497 0.102 963 H ALA 50 H ALA 50 -8.799 5.030 1.994 964 HA ALA 50 HA ALA 50 -11.323 5.991 2.764 965 HB1 ALA 50 1HB ALA 50 -10.920 3.669 2.065 966 HB2 ALA 50 2HB ALA 50 -11.748 3.755 3.619 967 HB3 ALA 50 3HB ALA 50 -10.026 3.381 3.557 968 H TYR 51 H TYR 51 -8.546 4.981 4.771 969 HA TYR 51 HA TYR 51 -9.733 5.530 7.251 970 HD1 TYR 51 1HD TYR 51 -9.779 3.780 7.693 971 HD2 TYR 51 2HD TYR 51 -5.562 3.539 7.193 972 HE1 TYR 51 1HE TYR 51 -9.862 1.373 8.190 973 HE2 TYR 51 2HE TYR 51 -5.637 1.133 7.684 974 HH TYR 51 HH TYR 51 -7.098 -0.454 8.870 975 HB2 TYR 51 2HB TYR 51 -6.859 5.468 6.354 976 HB3 TYR 51 1HB TYR 51 -7.309 5.817 8.014 977 H ARG 52 H ARG 52 -7.842 7.554 5.058 978 HA ARG 52 HA ARG 52 -7.699 9.774 6.800 979 HE ARG 52 HE ARG 52 -7.980 11.571 1.213 980 HB2 ARG 52 2HB ARG 52 -6.569 10.838 5.100 981 HB3 ARG 52 1HB ARG 52 -6.348 9.174 4.626 982 HG2 ARG 52 2HG ARG 52 -6.870 10.168 2.637 983 HG3 ARG 52 1HG ARG 52 -8.452 9.594 3.165 984 HD2 ARG 52 2HD ARG 52 -9.148 11.740 3.798 985 HD3 ARG 52 1HD ARG 52 -7.499 12.365 3.812 986 HH11 ARG 52 1HH1 ARG 52 -9.549 13.769 3.444 987 HH12 ARG 52 2HH1 ARG 52 -9.907 14.953 2.229 988 HH21 ARG 52 1HH2 ARG 52 -8.398 13.164 -0.378 989 HH22 ARG 52 2HH2 ARG 52 -9.238 14.624 0.066 990 H GLN 53 H GLN 53 -10.071 8.716 4.441 991 HA GLN 53 HA GLN 53 -11.628 11.115 4.587 992 HB2 GLN 53 2HB GLN 53 -12.096 8.390 3.429 993 HB3 GLN 53 1HB GLN 53 -13.399 9.563 3.511 994 HG2 GLN 53 2HG GLN 53 -11.816 11.158 2.309 995 HG3 GLN 53 1HG GLN 53 -10.824 9.737 1.990 996 HE21 GLN 53 1HE2 GLN 53 -14.316 9.680 2.121 997 HE22 GLN 53 2HE2 GLN 53 -14.563 9.373 0.434 998 H LEU 54 H LEU 54 -11.688 7.999 6.254 999 HA LEU 54 HA LEU 54 -14.090 8.368 7.658 1000 HG LEU 54 HG LEU 54 -12.822 5.860 6.506 1001 HB2 LEU 54 2HB LEU 54 -11.561 6.881 8.357 1002 HB3 LEU 54 1HB LEU 54 -12.995 6.841 9.353 1003 HD11 LEU 54 1HD1 LEU 54 -13.066 3.641 7.511 1004 HD12 LEU 54 2HD1 LEU 54 -13.004 4.363 9.119 1005 HD13 LEU 54 3HD1 LEU 54 -11.596 4.442 8.060 1006 HD21 LEU 54 1HD2 LEU 54 -15.067 4.991 6.890 1007 HD22 LEU 54 2HD2 LEU 54 -15.035 6.743 7.089 1008 HD23 LEU 54 3HD2 LEU 54 -15.075 5.697 8.508 1009 H ASP 55 H ASP 55 -10.735 9.111 8.532 1010 HA ASP 55 HA ASP 55 -11.249 10.384 10.974 1011 HB2 ASP 55 2HB ASP 55 -8.998 9.703 10.238 1012 HB3 ASP 55 1HB ASP 55 -9.035 10.931 8.977 1013 H GLU 56 H GLU 56 -11.058 11.683 7.677 1014 HA GLU 56 HA GLU 56 -11.395 14.355 8.159 1015 HB2 GLU 56 2HB GLU 56 -10.872 13.148 6.022 1016 HB3 GLU 56 1HB GLU 56 -12.570 12.725 5.909 1017 HG2 GLU 56 2HG GLU 56 -11.857 15.569 6.190 1018 HG3 GLU 56 1HG GLU 56 -11.530 14.764 4.663 1019 H PHE 57 H PHE 57 -13.965 11.963 7.470 1020 HA PHE 57 HA PHE 57 -16.085 13.757 7.832 1021 HD1 PHE 57 2HD PHE 57 -18.493 13.028 6.657 1022 HD2 PHE 57 1HD PHE 57 -17.687 10.409 9.910 1023 HE1 PHE 57 2HE PHE 57 -20.851 13.156 7.342 1024 HE2 PHE 57 1HE PHE 57 -20.042 10.540 10.604 1025 HZ PHE 57 HZ PHE 57 -21.625 11.912 9.319 1026 HB2 PHE 57 2HB PHE 57 -16.441 11.597 6.750 1027 HB3 PHE 57 1HB PHE 57 -16.050 10.759 8.251 1028 H ARG 58 H ARG 58 -14.343 11.712 10.121 1029 HA ARG 58 HA ARG 58 -16.046 12.062 12.314 1030 HE ARG 58 HE ARG 58 -13.830 9.902 14.936 1031 HB2 ARG 58 2HB ARG 58 -13.132 11.383 12.062 1032 HB3 ARG 58 1HB ARG 58 -13.904 11.538 13.626 1033 HG2 ARG 58 2HG ARG 58 -15.491 9.777 13.019 1034 HG3 ARG 58 1HG ARG 58 -14.696 9.617 11.452 1035 HD2 ARG 58 2HD ARG 58 -13.951 7.903 13.055 1036 HD3 ARG 58 1HD ARG 58 -12.632 8.950 12.529 1037 HH11 ARG 58 1HH1 ARG 58 -11.612 7.483 13.700 1038 HH12 ARG 58 2HH1 ARG 58 -10.711 7.370 15.179 1039 HH21 ARG 58 1HH2 ARG 58 -12.642 9.751 16.871 1040 HH22 ARG 58 2HH2 ARG 58 -11.284 8.668 16.974 1041 H LYS 59 H LYS 59 -13.307 13.981 11.137 1042 HA LYS 59 HA LYS 59 -13.374 15.779 13.368 1043 HB2 LYS 59 2HB LYS 59 -11.963 15.679 10.745 1044 HB3 LYS 59 1HB LYS 59 -12.086 17.239 11.545 1045 HG2 LYS 59 2HG LYS 59 -9.982 16.039 12.033 1046 HG3 LYS 59 1HG LYS 59 -10.926 16.409 13.474 1047 HD2 LYS 59 2HD LYS 59 -11.756 14.121 13.538 1048 HD3 LYS 59 1HD LYS 59 -10.867 13.744 12.061 1049 HE2 LYS 59 2HE LYS 59 -9.580 14.685 14.617 1050 HE3 LYS 59 1HE LYS 59 -9.761 12.990 14.172 1051 HZ1 LYS 59 1HZ LYS 59 -8.431 13.402 12.195 1052 HZ2 LYS 59 2HZ LYS 59 -7.574 13.817 13.598 1053 HZ3 LYS 59 3HZ LYS 59 -8.251 15.034 12.629 1054 H SER 60 H SER 60 -14.668 15.818 10.080 1055 HA SER 60 HA SER 60 -15.707 18.427 10.157 1056 HG SER 60 HG SER 60 -15.006 16.535 7.198 1057 HB2 SER 60 2HB SER 60 -16.607 16.050 8.520 1058 HB3 SER 60 1HB SER 60 -17.038 17.731 8.201 1059 H THR 61 H THR 61 -17.262 15.301 10.818 1060 HA THR 61 HA THR 61 -19.831 16.381 11.257 1061 HB THR 61 HB THR 61 -19.431 13.964 10.787 1062 HG1 THR 61 1HG THR 61 -21.034 14.939 12.851 1063 HG21 THR 61 1HG2 THR 61 -18.539 13.869 13.674 1064 HG22 THR 61 2HG2 THR 61 -17.522 13.572 12.263 1065 HG23 THR 61 3HG2 THR 61 -18.843 12.469 12.644 1066 H ALA 62 H ALA 62 -17.049 16.024 13.347 1067 HA ALA 62 HA ALA 62 -18.467 16.371 15.792 1068 HB1 ALA 62 1HB ALA 62 -15.546 16.831 15.204 1069 HB2 ALA 62 2HB ALA 62 -16.263 15.296 15.693 1070 HB3 ALA 62 3HB ALA 62 -16.274 16.668 16.802 1071 H SER 63 H SER 63 -16.733 18.544 13.612 1072 HA SER 63 HA SER 63 -16.967 20.853 15.223 1073 HG SER 63 HG SER 63 -16.565 22.783 12.366 1074 HB2 SER 63 2HB SER 63 -15.371 20.588 13.315 1075 HB3 SER 63 1HB SER 63 -16.734 20.707 12.203 1076 H LEU 64 H LEU 64 -19.020 19.432 12.734 1077 HA LEU 64 HA LEU 64 -20.832 21.644 12.683 1078 HG LEU 64 HG LEU 64 -21.232 20.203 9.339 1079 HB2 LEU 64 2HB LEU 64 -20.711 18.975 11.391 1080 HB3 LEU 64 1HB LEU 64 -22.276 19.758 11.486 1081 HD11 LEU 64 1HD1 LEU 64 -21.287 22.638 11.111 1082 HD12 LEU 64 2HD1 LEU 64 -22.664 21.922 10.273 1083 HD13 LEU 64 3HD1 LEU 64 -21.349 22.647 9.348 1084 HD21 LEU 64 1HD2 LEU 64 -19.176 21.526 9.170 1085 HD22 LEU 64 2HD2 LEU 64 -18.893 19.982 9.975 1086 HD23 LEU 64 3HD2 LEU 64 -18.997 21.465 10.923 1087 H GLU 65 H GLU 65 -20.925 18.405 14.128 1088 HA GLU 65 HA GLU 65 -23.624 18.679 15.012 1089 HB2 GLU 65 2HB GLU 65 -22.257 16.517 14.599 1090 HB3 GLU 65 1HB GLU 65 -21.675 16.760 16.238 1091 HG2 GLU 65 2HG GLU 65 -24.103 16.872 16.940 1092 HG3 GLU 65 1HG GLU 65 -24.493 16.279 15.328 1093 H HIS 66 H HIS 66 -20.735 19.905 16.111 1094 HA HIS 66 HA HIS 66 -21.458 20.087 18.901 1095 HD1 HIS 66 1HD HIS 66 -17.381 22.305 19.245 1096 HD2 HIS 66 2HD HIS 66 -20.715 20.487 20.949 1097 HE1 HIS 66 1HE HIS 66 -17.154 22.651 21.727 1098 HE2 HIS 66 2HE HIS 66 -19.219 21.614 22.735 1099 HB2 HIS 66 2HB HIS 66 -19.060 20.019 17.936 1100 HB3 HIS 66 1HB HIS 66 -19.308 21.721 17.561 1101 H HIS 67 H HIS 67 -22.498 21.573 16.154 1102 HA HIS 67 HA HIS 67 -23.346 23.979 17.622 1103 HD1 HIS 67 1HD HIS 67 -20.654 23.576 14.486 1104 HD2 HIS 67 2HD HIS 67 -22.393 26.788 16.476 1105 HE1 HIS 67 1HE HIS 67 -18.827 25.282 14.744 1106 HE2 HIS 67 2HE HIS 67 -19.922 27.260 15.859 1107 HB2 HIS 67 2HB HIS 67 -23.184 23.403 14.657 1108 HB3 HIS 67 1HB HIS 67 -24.054 24.786 15.309 1109 H HIS 68 H HIS 68 -25.696 24.574 16.298 1110 HA HIS 68 HA HIS 68 -27.324 22.204 16.166 1111 HD1 HIS 68 1HD HIS 68 -29.876 24.670 19.190 1112 HD2 HIS 68 2HD HIS 68 -25.764 25.191 18.805 1113 HE1 HIS 68 1HE HIS 68 -29.354 26.853 20.324 1114 HE2 HIS 68 2HE HIS 68 -26.861 27.137 20.118 1115 HB2 HIS 68 2HB HIS 68 -28.835 22.791 18.011 1116 HB3 HIS 68 1HB HIS 68 -27.205 22.471 18.585 1117 H HIS 69 H HIS 69 -28.469 22.586 14.403 1118 HA HIS 69 HA HIS 69 -29.456 25.209 13.756 1119 HD1 HIS 69 1HD HIS 69 -28.683 21.023 12.766 1120 HD2 HIS 69 2HD HIS 69 -32.547 22.340 11.941 1121 HE1 HIS 69 1HE HIS 69 -30.092 18.942 12.575 1122 HE2 HIS 69 2HE HIS 69 -32.443 19.758 12.171 1123 HB2 HIS 69 2HB HIS 69 -30.477 24.189 11.816 1124 HB3 HIS 69 1HB HIS 69 -28.860 23.526 11.997 1125 H HIS 70 H HIS 70 -31.368 26.088 14.297 1126 HA HIS 70 HA HIS 70 -33.215 24.499 15.902 1127 HD1 HIS 70 1HD HIS 70 -35.762 27.739 15.019 1128 HD2 HIS 70 2HD HIS 70 -34.562 25.943 18.576 1129 HE1 HIS 70 1HE HIS 70 -37.801 27.728 16.495 1130 HE2 HIS 70 2HE HIS 70 -36.993 26.834 18.712 1131 HB2 HIS 70 2HB HIS 70 -32.601 26.743 16.708 1132 HB3 HIS 70 1HB HIS 70 -33.226 27.453 15.227 1133 H HIS 71 H HIS 71 -35.228 23.907 15.246 1134 HA HIS 71 HA HIS 71 -36.281 24.986 12.749 1135 HD1 HIS 71 1HD HIS 71 -35.763 23.287 9.825 1136 HD2 HIS 71 2HD HIS 71 -38.862 21.986 12.280 1137 HE1 HIS 71 1HE HIS 71 -37.716 22.875 8.294 1138 HE2 HIS 71 2HE HIS 71 -39.626 22.265 9.820 1139 HB2 HIS 71 2HB HIS 71 -35.017 22.886 12.188 1140 HB3 HIS 71 1HB HIS 71 -36.115 22.003 13.243 Start of MODEL 2 1 HA MET 1 HA MET 1 29.278 -1.311 -16.559 2 H1 MET 1 1H MET 1 30.386 -0.275 -19.103 3 H2 MET 1 2H MET 1 31.260 -0.501 -17.669 4 H3 MET 1 3H MET 1 30.007 0.642 -17.725 5 HB2 MET 1 2HB MET 1 28.071 -0.986 -19.314 6 HB3 MET 1 1HB MET 1 27.327 -1.908 -18.017 7 HG2 MET 1 2HG MET 1 27.937 1.038 -17.953 8 HG3 MET 1 1HG MET 1 26.355 0.309 -18.222 9 HE1 MET 1 1HE MET 1 26.033 1.875 -14.630 10 HE2 MET 1 2HE MET 1 25.362 1.824 -16.261 11 HE3 MET 1 3HE MET 1 26.955 2.525 -15.986 12 H SER 2 H SER 2 30.047 -3.259 -16.136 13 HA SER 2 HA SER 2 30.776 -5.010 -18.389 14 HG SER 2 HG SER 2 32.488 -6.599 -17.797 15 HB2 SER 2 2HB SER 2 32.638 -4.447 -16.864 16 HB3 SER 2 1HB SER 2 31.719 -5.088 -15.506 17 H GLU 3 H GLU 3 30.143 -7.228 -18.268 18 HA GLU 3 HA GLU 3 27.888 -7.662 -16.435 19 HB2 GLU 3 2HB GLU 3 26.890 -9.165 -18.126 20 HB3 GLU 3 1HB GLU 3 26.997 -7.497 -18.652 21 HG2 GLU 3 2HG GLU 3 28.989 -9.600 -19.445 22 HG3 GLU 3 1HG GLU 3 27.531 -9.251 -20.370 23 H GLY 4 H GLY 4 28.266 -9.064 -14.947 24 HA2 GLY 4 2HA GLY 4 29.457 -11.625 -15.547 25 HA3 GLY 4 1HA GLY 4 30.445 -10.601 -14.513 26 H ALA 5 H ALA 5 29.292 -13.126 -13.799 27 HA ALA 5 HA ALA 5 26.881 -12.826 -12.359 28 HB1 ALA 5 1HB ALA 5 29.047 -14.895 -12.034 29 HB2 ALA 5 2HB ALA 5 27.679 -14.988 -13.145 30 HB3 ALA 5 3HB ALA 5 27.405 -15.007 -11.403 31 H GLU 6 H GLU 6 30.101 -11.946 -11.605 32 HA GLU 6 HA GLU 6 29.997 -12.195 -8.785 33 HB2 GLU 6 2HB GLU 6 31.716 -10.381 -10.483 34 HB3 GLU 6 1HB GLU 6 32.007 -10.798 -8.795 35 HG2 GLU 6 2HG GLU 6 32.179 -13.168 -9.466 36 HG3 GLU 6 1HG GLU 6 32.034 -12.673 -11.147 37 H GLU 7 H GLU 7 29.762 -9.295 -10.855 38 HA GLU 7 HA GLU 7 28.834 -7.640 -8.753 39 HB2 GLU 7 2HB GLU 7 28.868 -7.387 -11.748 40 HB3 GLU 7 1HB GLU 7 28.121 -6.175 -10.732 41 HG2 GLU 7 2HG GLU 7 30.314 -5.996 -9.518 42 HG3 GLU 7 1HG GLU 7 30.998 -6.997 -10.796 43 H LEU 8 H LEU 8 27.275 -9.711 -11.102 44 HA LEU 8 HA LEU 8 24.621 -8.946 -10.794 45 HG LEU 8 HG LEU 8 23.490 -10.159 -12.593 46 HB2 LEU 8 2HB LEU 8 25.862 -10.822 -12.225 47 HB3 LEU 8 1HB LEU 8 25.332 -11.842 -10.903 48 HD11 LEU 8 1HD1 LEU 8 24.552 -11.890 -13.936 49 HD12 LEU 8 2HD1 LEU 8 22.851 -12.270 -13.660 50 HD13 LEU 8 3HD1 LEU 8 24.102 -13.109 -12.743 51 HD21 LEU 8 1HD2 LEU 8 22.934 -12.354 -10.597 52 HD22 LEU 8 2HD2 LEU 8 21.728 -11.557 -11.607 53 HD23 LEU 8 3HD2 LEU 8 22.596 -10.638 -10.379 54 H LYS 9 H LYS 9 26.561 -11.270 -8.944 55 HA LYS 9 HA LYS 9 24.600 -12.014 -7.085 56 HB2 LYS 9 2HB LYS 9 26.948 -13.023 -7.576 57 HB3 LYS 9 1HB LYS 9 27.521 -11.856 -6.394 58 HG2 LYS 9 2HG LYS 9 27.209 -13.795 -5.160 59 HG3 LYS 9 1HG LYS 9 25.745 -12.860 -4.838 60 HD2 LYS 9 2HD LYS 9 24.558 -14.144 -6.554 61 HD3 LYS 9 1HD LYS 9 26.020 -15.081 -6.863 62 HE2 LYS 9 2HE LYS 9 25.945 -15.723 -4.406 63 HE3 LYS 9 1HE LYS 9 24.315 -15.049 -4.388 64 HZ1 LYS 9 1HZ LYS 9 24.140 -17.369 -4.783 65 HZ2 LYS 9 2HZ LYS 9 25.308 -17.322 -6.008 66 HZ3 LYS 9 3HZ LYS 9 23.795 -16.596 -6.255 67 H ALA 10 H ALA 10 27.058 -9.473 -6.998 68 HA ALA 10 HA ALA 10 26.604 -8.608 -4.365 69 HB1 ALA 10 1HB ALA 10 28.593 -8.006 -5.664 70 HB2 ALA 10 2HB ALA 10 27.791 -6.582 -4.999 71 HB3 ALA 10 3HB ALA 10 27.601 -6.988 -6.707 72 H LYS 11 H LYS 11 25.165 -7.616 -7.435 73 HA LYS 11 HA LYS 11 23.636 -5.494 -6.270 74 HB2 LYS 11 2HB LYS 11 24.328 -5.661 -8.694 75 HB3 LYS 11 1HB LYS 11 23.102 -6.903 -8.882 76 HG2 LYS 11 2HG LYS 11 22.236 -4.783 -9.639 77 HG3 LYS 11 1HG LYS 11 21.379 -5.294 -8.184 78 HD2 LYS 11 2HD LYS 11 22.842 -3.817 -6.841 79 HD3 LYS 11 1HD LYS 11 23.610 -3.267 -8.333 80 HE2 LYS 11 2HE LYS 11 21.401 -2.472 -9.121 81 HE3 LYS 11 1HE LYS 11 20.712 -2.933 -7.564 82 HZ1 LYS 11 1HZ LYS 11 22.833 -0.902 -8.017 83 HZ2 LYS 11 2HZ LYS 11 22.252 -1.372 -6.493 84 HZ3 LYS 11 3HZ LYS 11 21.221 -0.593 -7.594 85 H LEU 12 H LEU 12 22.926 -8.791 -7.334 86 HA LEU 12 HA LEU 12 20.195 -8.846 -6.740 87 HG LEU 12 HG LEU 12 20.024 -11.727 -5.540 88 HB2 LEU 12 2HB LEU 12 21.364 -10.600 -8.006 89 HB3 LEU 12 1HB LEU 12 22.205 -11.093 -6.549 90 HD11 LEU 12 1HD1 LEU 12 18.573 -10.241 -6.796 91 HD12 LEU 12 2HD1 LEU 12 18.065 -11.916 -7.010 92 HD13 LEU 12 3HD1 LEU 12 18.959 -11.097 -8.290 93 HD21 LEU 12 1HD2 LEU 12 20.654 -13.021 -8.190 94 HD22 LEU 12 2HD2 LEU 12 19.701 -13.739 -6.891 95 HD23 LEU 12 3HD2 LEU 12 21.412 -13.397 -6.641 96 H LYS 13 H LYS 13 23.005 -9.585 -4.709 97 HA LYS 13 HA LYS 13 21.759 -10.380 -2.368 98 HB2 LYS 13 2HB LYS 13 24.175 -10.420 -2.675 99 HB3 LYS 13 1HB LYS 13 24.227 -8.673 -2.754 100 HG2 LYS 13 2HG LYS 13 25.017 -9.517 -0.604 101 HG3 LYS 13 1HG LYS 13 23.588 -8.501 -0.432 102 HD2 LYS 13 2HD LYS 13 22.185 -10.415 -0.113 103 HD3 LYS 13 1HD LYS 13 23.514 -11.512 -0.504 104 HE2 LYS 13 2HE LYS 13 24.711 -10.841 1.475 105 HE3 LYS 13 1HE LYS 13 23.511 -9.602 1.834 106 HZ1 LYS 13 1HZ LYS 13 23.331 -11.721 3.137 107 HZ2 LYS 13 2HZ LYS 13 22.845 -12.492 1.709 108 HZ3 LYS 13 3HZ LYS 13 21.911 -11.231 2.356 109 H LYS 14 H LYS 14 22.633 -7.099 -3.356 110 HA LYS 14 HA LYS 14 21.588 -5.740 -1.154 111 HB2 LYS 14 2HB LYS 14 23.134 -4.868 -2.980 112 HB3 LYS 14 1HB LYS 14 21.692 -4.650 -3.964 113 HG2 LYS 14 2HG LYS 14 22.347 -2.575 -2.885 114 HG3 LYS 14 1HG LYS 14 20.774 -3.129 -2.301 115 HD2 LYS 14 2HD LYS 14 22.099 -2.369 -0.434 116 HD3 LYS 14 1HD LYS 14 21.894 -4.115 -0.329 117 HE2 LYS 14 2HE LYS 14 24.138 -4.337 -1.436 118 HE3 LYS 14 1HE LYS 14 24.332 -2.596 -1.244 119 HZ1 LYS 14 1HZ LYS 14 23.953 -4.574 0.940 120 HZ2 LYS 14 2HZ LYS 14 24.064 -2.896 1.158 121 HZ3 LYS 14 3HZ LYS 14 25.395 -3.764 0.564 122 H LEU 15 H LEU 15 20.126 -6.423 -4.321 123 HA LEU 15 HA LEU 15 17.693 -5.080 -3.811 124 HG LEU 15 HG LEU 15 19.602 -5.206 -6.231 125 HB2 LEU 15 2HB LEU 15 18.363 -7.281 -5.765 126 HB3 LEU 15 1HB LEU 15 16.858 -6.384 -5.769 127 HD11 LEU 15 1HD1 LEU 15 17.320 -5.705 -8.140 128 HD12 LEU 15 2HD1 LEU 15 18.838 -6.601 -8.083 129 HD13 LEU 15 3HD1 LEU 15 18.840 -4.895 -8.525 130 HD21 LEU 15 1HD2 LEU 15 18.383 -3.168 -6.818 131 HD22 LEU 15 2HD2 LEU 15 18.100 -3.629 -5.139 132 HD23 LEU 15 3HD2 LEU 15 16.866 -3.942 -6.360 133 H ASN 16 H ASN 16 18.664 -8.465 -3.480 134 HA ASN 16 HA ASN 16 16.141 -9.525 -2.825 135 HB2 ASN 16 2HB ASN 16 18.112 -10.894 -3.473 136 HB3 ASN 16 1HB ASN 16 18.858 -10.512 -1.925 137 HD21 ASN 16 1HD2 ASN 16 16.344 -12.278 -3.534 138 HD22 ASN 16 2HD2 ASN 16 15.938 -13.307 -2.204 139 H ALA 17 H ALA 17 18.770 -8.316 -0.791 140 HA ALA 17 HA ALA 17 17.568 -8.827 1.692 141 HB1 ALA 17 1HB ALA 17 19.483 -6.605 0.991 142 HB2 ALA 17 2HB ALA 17 19.941 -8.257 1.404 143 HB3 ALA 17 3HB ALA 17 19.150 -7.237 2.605 144 H GLN 18 H GLN 18 17.472 -5.970 -0.409 145 HA GLN 18 HA GLN 18 15.910 -4.362 1.303 146 HB2 GLN 18 2HB GLN 18 17.240 -3.518 -0.612 147 HB3 GLN 18 1HB GLN 18 16.091 -4.260 -1.713 148 HG2 GLN 18 2HG GLN 18 14.346 -2.792 -0.982 149 HG3 GLN 18 1HG GLN 18 15.369 -2.141 0.299 150 HE21 GLN 18 1HE2 GLN 18 14.716 -2.171 -3.109 151 HE22 GLN 18 2HE2 GLN 18 15.685 -0.798 -3.511 152 H ALA 19 H ALA 19 15.020 -6.559 -1.337 153 HA ALA 19 HA ALA 19 12.248 -6.070 -1.275 154 HB1 ALA 19 1HB ALA 19 13.352 -7.235 -3.117 155 HB2 ALA 19 2HB ALA 19 12.023 -8.192 -2.462 156 HB3 ALA 19 3HB ALA 19 13.691 -8.603 -2.055 157 H THR 20 H THR 20 14.234 -8.496 0.397 158 HA THR 20 HA THR 20 12.117 -9.783 1.749 159 HB THR 20 HB THR 20 15.001 -9.547 2.651 160 HG1 THR 20 1HG THR 20 14.984 -10.400 0.578 161 HG21 THR 20 1HG2 THR 20 14.574 -11.698 3.753 162 HG22 THR 20 2HG2 THR 20 12.893 -11.637 3.220 163 HG23 THR 20 3HG2 THR 20 13.497 -10.441 4.367 164 H ALA 21 H ALA 21 14.126 -6.996 2.542 165 HA ALA 21 HA ALA 21 13.364 -6.634 5.210 166 HB1 ALA 21 1HB ALA 21 14.088 -4.315 4.922 167 HB2 ALA 21 2HB ALA 21 14.119 -4.542 3.173 168 HB3 ALA 21 3HB ALA 21 15.231 -5.446 4.201 169 H LEU 22 H LEU 22 12.034 -5.096 2.271 170 HA LEU 22 HA LEU 22 9.948 -3.773 3.667 171 HG LEU 22 HG LEU 22 10.271 -1.840 0.582 172 HB2 LEU 22 2HB LEU 22 10.534 -4.300 0.788 173 HB3 LEU 22 1HB LEU 22 8.941 -3.721 1.237 174 HD11 LEU 22 1HD1 LEU 22 8.750 -1.452 2.430 175 HD12 LEU 22 2HD1 LEU 22 10.203 -0.470 2.617 176 HD13 LEU 22 3HD1 LEU 22 9.996 -1.930 3.583 177 HD21 LEU 22 1HD2 LEU 22 12.279 -2.709 2.658 178 HD22 LEU 22 2HD2 LEU 22 12.353 -1.230 1.701 179 HD23 LEU 22 3HD2 LEU 22 12.491 -2.800 0.909 180 H LYS 23 H LYS 23 10.191 -6.911 2.143 181 HA LYS 23 HA LYS 23 7.505 -7.655 2.075 182 HB2 LYS 23 2HB LYS 23 9.557 -8.909 1.208 183 HB3 LYS 23 1HB LYS 23 9.776 -9.492 2.848 184 HG2 LYS 23 2HG LYS 23 7.222 -9.925 1.335 185 HG3 LYS 23 1HG LYS 23 8.596 -11.020 1.193 186 HD2 LYS 23 2HD LYS 23 8.513 -11.435 3.605 187 HD3 LYS 23 1HD LYS 23 7.144 -10.329 3.749 188 HE2 LYS 23 2HE LYS 23 5.829 -11.770 2.273 189 HE3 LYS 23 1HE LYS 23 7.200 -12.872 2.129 190 HZ1 LYS 23 1HZ LYS 23 5.806 -12.213 4.670 191 HZ2 LYS 23 2HZ LYS 23 7.067 -13.333 4.476 192 HZ3 LYS 23 3HZ LYS 23 5.557 -13.624 3.762 193 H MET 24 H MET 24 9.869 -7.845 4.686 194 HA MET 24 HA MET 24 8.044 -8.959 6.590 195 HB2 MET 24 2HB MET 24 10.398 -9.413 6.792 196 HB3 MET 24 1HB MET 24 10.776 -7.698 6.849 197 HG2 MET 24 2HG MET 24 9.622 -7.530 9.006 198 HG3 MET 24 1HG MET 24 9.287 -9.262 8.949 199 HE1 MET 24 1HE MET 24 13.587 -7.577 9.055 200 HE2 MET 24 2HE MET 24 12.159 -6.546 8.990 201 HE3 MET 24 3HE MET 24 12.566 -7.576 7.616 202 H ASP 25 H ASP 25 9.297 -5.721 5.902 203 HA ASP 25 HA ASP 25 8.291 -4.483 8.235 204 HB2 ASP 25 2HB ASP 25 10.126 -3.577 6.802 205 HB3 ASP 25 1HB ASP 25 8.919 -3.162 5.590 206 H LEU 26 H LEU 26 7.001 -4.806 4.957 207 HA LEU 26 HA LEU 26 4.756 -3.145 5.275 208 HG LEU 26 HG LEU 26 2.749 -4.926 3.595 209 HB2 LEU 26 2HB LEU 26 5.545 -3.898 3.093 210 HB3 LEU 26 1HB LEU 26 5.147 -5.555 3.497 211 HD11 LEU 26 1HD1 LEU 26 3.705 -2.277 2.516 212 HD12 LEU 26 2HD1 LEU 26 3.068 -2.547 4.136 213 HD13 LEU 26 3HD1 LEU 26 2.028 -2.778 2.730 214 HD21 LEU 26 1HD2 LEU 26 4.186 -4.289 1.021 215 HD22 LEU 26 2HD2 LEU 26 2.466 -4.649 1.163 216 HD23 LEU 26 3HD2 LEU 26 3.662 -5.882 1.564 217 H HIS 27 H HIS 27 5.294 -6.546 5.980 218 HA HIS 27 HA HIS 27 2.643 -7.304 6.439 219 HD1 HIS 27 1HD HIS 27 4.816 -9.772 9.642 220 HD2 HIS 27 2HD HIS 27 1.583 -9.890 7.021 221 HE1 HIS 27 1HE HIS 27 3.157 -11.361 10.675 222 HE2 HIS 27 2HE HIS 27 1.131 -11.236 9.186 223 HB2 HIS 27 2HB HIS 27 4.392 -8.963 6.222 224 HB3 HIS 27 1HB HIS 27 5.200 -8.355 7.661 225 H ASP 28 H ASP 28 5.043 -5.896 8.640 226 HA ASP 28 HA ASP 28 3.530 -6.211 10.999 227 HB2 ASP 28 2HB ASP 28 5.938 -5.756 11.042 228 HB3 ASP 28 1HB ASP 28 5.657 -4.153 10.374 229 H LEU 29 H LEU 29 3.725 -3.547 8.676 230 HA LEU 29 HA LEU 29 2.016 -1.836 10.205 231 HG LEU 29 HG LEU 29 0.870 -0.146 7.954 232 HB2 LEU 29 2HB LEU 29 3.698 -1.023 8.556 233 HB3 LEU 29 1HB LEU 29 2.704 -1.678 7.269 234 HD11 LEU 29 1HD1 LEU 29 1.377 1.709 9.459 235 HD12 LEU 29 2HD1 LEU 29 2.962 1.012 9.793 236 HD13 LEU 29 3HD1 LEU 29 1.499 0.159 10.289 237 HD21 LEU 29 1HD2 LEU 29 1.878 1.874 7.038 238 HD22 LEU 29 2HD2 LEU 29 2.402 0.447 6.143 239 HD23 LEU 29 3HD2 LEU 29 3.488 1.206 7.307 240 H ALA 30 H ALA 30 1.538 -4.262 7.739 241 HA ALA 30 HA ALA 30 -1.152 -3.574 7.108 242 HB1 ALA 30 1HB ALA 30 0.223 -4.926 5.615 243 HB2 ALA 30 2HB ALA 30 -1.260 -5.776 6.052 244 HB3 ALA 30 3HB ALA 30 0.269 -6.219 6.813 245 H GLU 31 H GLU 31 0.344 -5.440 9.640 246 HA GLU 31 HA GLU 31 -2.111 -6.605 10.568 247 HB2 GLU 31 2HB GLU 31 0.593 -6.346 11.896 248 HB3 GLU 31 1HB GLU 31 -0.738 -7.318 12.487 249 HG2 GLU 31 2HG GLU 31 0.544 -7.748 9.811 250 HG3 GLU 31 1HG GLU 31 1.076 -8.557 11.284 251 H ASP 32 H ASP 32 0.022 -3.945 11.540 252 HA ASP 32 HA ASP 32 -1.829 -3.147 13.647 253 HB2 ASP 32 2HB ASP 32 0.683 -3.173 13.961 254 HB3 ASP 32 1HB ASP 32 0.764 -1.809 12.850 255 H LEU 33 H LEU 33 -3.061 -2.955 11.300 256 HA LEU 33 HA LEU 33 -2.883 -0.407 10.069 257 HG LEU 33 HG LEU 33 -2.890 -2.704 8.385 258 HB2 LEU 33 2HB LEU 33 -4.772 -2.701 9.918 259 HB3 LEU 33 1HB LEU 33 -5.311 -1.147 9.302 260 HD11 LEU 33 1HD1 LEU 33 -5.457 -1.957 6.997 261 HD12 LEU 33 2HD1 LEU 33 -4.987 -3.573 7.530 262 HD13 LEU 33 3HD1 LEU 33 -4.084 -2.768 6.245 263 HD21 LEU 33 1HD2 LEU 33 -2.371 -0.330 8.382 264 HD22 LEU 33 2HD2 LEU 33 -3.879 0.021 7.541 265 HD23 LEU 33 3HD2 LEU 33 -2.611 -0.898 6.729 266 HA PRO 34 HA PRO 34 -4.583 2.965 10.727 267 HB2 PRO 34 2HB PRO 34 -6.930 2.157 12.412 268 HB3 PRO 34 1HB PRO 34 -6.708 3.606 11.421 269 HG2 PRO 34 2HG PRO 34 -7.924 1.232 10.568 270 HG3 PRO 34 1HG PRO 34 -7.328 2.527 9.516 271 HD2 PRO 34 2HD PRO 34 -6.322 -0.101 9.624 272 HD3 PRO 34 1HD PRO 34 -5.496 1.295 8.892 273 H THR 35 H THR 35 -3.183 3.717 11.807 274 HA THR 35 HA THR 35 -2.958 4.517 14.355 275 HB THR 35 HB THR 35 -1.714 1.762 14.088 276 HG1 THR 35 1HG THR 35 -3.296 1.323 15.414 277 HG21 THR 35 1HG2 THR 35 -0.451 2.210 16.139 278 HG22 THR 35 2HG2 THR 35 -1.001 3.885 16.113 279 HG23 THR 35 3HG2 THR 35 0.049 3.281 14.830 280 H GLY 36 H GLY 36 -0.999 2.730 12.005 281 HA2 GLY 36 2HA GLY 36 0.670 5.145 11.637 282 HA3 GLY 36 1HA GLY 36 1.247 3.498 11.393 283 H TRP 37 H TRP 37 -1.919 4.382 10.393 284 HA TRP 37 HA TRP 37 -1.680 3.404 7.808 285 HD1 TRP 37 HD TRP 37 -3.706 5.279 11.159 286 HE1 TRP 37 1HE TRP 37 -4.587 7.679 11.475 287 HE3 TRP 37 3HE TRP 37 -4.311 6.576 6.245 288 HZ2 TRP 37 2HZ TRP 37 -5.445 9.823 9.851 289 HZ3 TRP 37 3HZ TRP 37 -5.175 8.818 5.715 290 HH2 TRP 37 HH TRP 37 -5.729 10.407 7.482 291 HB2 TRP 37 2HB TRP 37 -3.885 4.406 7.409 292 HB3 TRP 37 1HB TRP 37 -3.826 3.619 8.984 293 H ASN 38 H ASN 38 -0.903 6.535 9.063 294 HA ASN 38 HA ASN 38 -1.118 8.048 6.696 295 HB2 ASN 38 2HB ASN 38 -0.887 9.023 8.959 296 HB3 ASN 38 1HB ASN 38 0.770 8.436 9.032 297 HD21 ASN 38 1HD2 ASN 38 -0.840 9.864 6.230 298 HD22 ASN 38 2HD2 ASN 38 0.172 11.261 6.154 299 H ARG 39 H ARG 39 1.171 5.694 7.736 300 HA ARG 39 HA ARG 39 3.171 6.657 5.805 301 HE ARG 39 HE ARG 39 7.855 5.521 6.914 302 HB2 ARG 39 2HB ARG 39 3.663 6.204 8.313 303 HB3 ARG 39 1HB ARG 39 3.660 4.510 7.843 304 HG2 ARG 39 2HG ARG 39 5.495 4.842 6.361 305 HG3 ARG 39 1HG ARG 39 5.409 6.594 6.562 306 HD2 ARG 39 2HD ARG 39 5.954 6.332 8.940 307 HD3 ARG 39 1HD ARG 39 6.074 4.588 8.713 308 HH11 ARG 39 1HH1 ARG 39 7.335 6.384 10.280 309 HH12 ARG 39 2HH1 ARG 39 9.025 6.605 10.609 310 HH21 ARG 39 1HH2 ARG 39 10.083 5.838 7.366 311 HH22 ARG 39 2HH2 ARG 39 10.578 6.283 8.975 312 H ILE 40 H ILE 40 0.638 4.688 5.697 313 HA ILE 40 HA ILE 40 1.511 2.179 4.848 314 HB ILE 40 HB ILE 40 -0.925 3.743 3.989 315 HG12 ILE 40 2HG1 ILE 40 -0.571 1.428 5.905 316 HG13 ILE 40 1HG1 ILE 40 -0.837 3.112 6.362 317 HG21 ILE 40 1HG2 ILE 40 -1.821 1.644 3.106 318 HG22 ILE 40 2HG2 ILE 40 -0.291 0.841 3.456 319 HG23 ILE 40 3HG2 ILE 40 -0.358 2.126 2.249 320 HD11 ILE 40 1HD1 ILE 40 -2.767 1.394 4.809 321 HD12 ILE 40 2HD1 ILE 40 -3.040 3.051 5.351 322 HD13 ILE 40 3HD1 ILE 40 -2.868 1.752 6.532 323 H MET 41 H MET 41 0.843 5.064 2.886 324 HA MET 41 HA MET 41 1.321 3.968 0.380 325 HB2 MET 41 2HB MET 41 0.300 6.195 0.784 326 HB3 MET 41 1HB MET 41 1.880 6.810 1.248 327 HG2 MET 41 2HG MET 41 1.461 7.473 -0.994 328 HG3 MET 41 1HG MET 41 2.705 6.226 -1.019 329 HE1 MET 41 1HE MET 41 -1.230 5.938 -0.627 330 HE2 MET 41 2HE MET 41 -1.684 5.616 -2.301 331 HE3 MET 41 3HE MET 41 -0.981 7.172 -1.865 332 H GLU 42 H GLU 42 3.578 5.576 2.588 333 HA GLU 42 HA GLU 42 5.859 5.570 0.985 334 HB2 GLU 42 2HB GLU 42 5.669 6.735 3.157 335 HB3 GLU 42 1HB GLU 42 5.696 5.188 3.983 336 HG2 GLU 42 2HG GLU 42 7.957 4.807 2.909 337 HG3 GLU 42 1HG GLU 42 7.910 6.508 2.447 338 H VAL 43 H VAL 43 4.889 3.206 3.438 339 HA VAL 43 HA VAL 43 6.988 1.403 3.020 340 HB VAL 43 HB VAL 43 4.192 0.711 3.945 341 HG11 VAL 43 1HG1 VAL 43 5.304 -1.135 5.127 342 HG12 VAL 43 2HG1 VAL 43 6.839 -0.670 4.397 343 HG13 VAL 43 3HG1 VAL 43 5.522 -1.254 3.380 344 HG21 VAL 43 1HG2 VAL 43 5.088 1.036 6.221 345 HG22 VAL 43 2HG2 VAL 43 5.103 2.529 5.282 346 HG23 VAL 43 3HG2 VAL 43 6.597 1.625 5.526 347 H ALA 44 H ALA 44 3.738 1.510 1.586 348 HA ALA 44 HA ALA 44 3.949 -0.817 0.034 349 HB1 ALA 44 1HB ALA 44 2.365 1.678 -0.562 350 HB2 ALA 44 2HB ALA 44 1.834 0.343 0.459 351 HB3 ALA 44 3HB ALA 44 2.101 0.083 -1.265 352 H GLU 45 H GLU 45 4.749 2.556 -0.719 353 HA GLU 45 HA GLU 45 5.536 2.182 -3.370 354 HB2 GLU 45 2HB GLU 45 6.207 4.202 -1.260 355 HB3 GLU 45 1HB GLU 45 7.010 4.254 -2.810 356 HG2 GLU 45 2HG GLU 45 4.709 4.297 -3.855 357 HG3 GLU 45 1HG GLU 45 4.089 4.574 -2.227 358 H LYS 46 H LYS 46 7.447 2.086 -0.376 359 HA LYS 46 HA LYS 46 9.931 1.593 -1.643 360 HB2 LYS 46 2HB LYS 46 9.015 1.022 1.177 361 HB3 LYS 46 1HB LYS 46 10.679 0.877 0.621 362 HG2 LYS 46 2HG LYS 46 10.677 3.245 0.022 363 HG3 LYS 46 1HG LYS 46 9.024 3.385 0.620 364 HD2 LYS 46 2HD LYS 46 11.416 2.567 2.254 365 HD3 LYS 46 1HD LYS 46 10.674 4.161 2.235 366 HE2 LYS 46 2HE LYS 46 8.536 3.080 2.977 367 HE3 LYS 46 1HE LYS 46 9.442 1.582 3.182 368 HZ1 LYS 46 1HZ LYS 46 9.358 2.597 5.283 369 HZ2 LYS 46 2HZ LYS 46 9.758 4.125 4.672 370 HZ3 LYS 46 3HZ LYS 46 10.931 2.895 4.719 371 H THR 47 H THR 47 7.344 -0.505 -0.554 372 HA THR 47 HA THR 47 8.767 -2.943 -0.813 373 HB THR 47 HB THR 47 5.785 -2.470 -1.088 374 HG1 THR 47 1HG THR 47 6.612 -1.779 0.944 375 HG21 THR 47 1HG2 THR 47 7.331 -4.982 -0.428 376 HG22 THR 47 2HG2 THR 47 6.498 -4.653 -1.949 377 HG23 THR 47 3HG2 THR 47 5.575 -4.827 -0.454 378 H TYR 48 H TYR 48 6.572 -1.182 -2.990 379 HA TYR 48 HA TYR 48 6.795 -3.053 -5.103 380 HD1 TYR 48 2HD TYR 48 4.391 -3.232 -6.517 381 HD2 TYR 48 1HD TYR 48 6.532 0.283 -7.590 382 HE1 TYR 48 2HE TYR 48 3.909 -3.668 -8.886 383 HE2 TYR 48 1HE TYR 48 6.058 -0.148 -9.963 384 HH TYR 48 HH TYR 48 3.752 -2.406 -11.005 385 HB2 TYR 48 2HB TYR 48 4.914 -1.437 -4.849 386 HB3 TYR 48 1HB TYR 48 6.015 -0.139 -5.304 387 H GLU 49 H GLU 49 8.576 -0.108 -4.302 388 HA GLU 49 HA GLU 49 9.862 0.273 -6.742 389 HB2 GLU 49 2HB GLU 49 11.301 1.744 -5.606 390 HB3 GLU 49 1HB GLU 49 9.798 1.834 -4.730 391 HG2 GLU 49 2HG GLU 49 10.678 0.566 -2.938 392 HG3 GLU 49 1HG GLU 49 12.111 0.127 -3.867 393 H ALA 50 H ALA 50 10.844 -1.620 -3.927 394 HA ALA 50 HA ALA 50 13.333 -2.473 -4.961 395 HB1 ALA 50 1HB ALA 50 11.596 -3.832 -2.896 396 HB2 ALA 50 2HB ALA 50 12.763 -2.550 -2.569 397 HB3 ALA 50 3HB ALA 50 13.317 -4.115 -3.166 398 H TYR 51 H TYR 51 10.137 -4.073 -4.936 399 HA TYR 51 HA TYR 51 11.024 -6.422 -6.220 400 HD1 TYR 51 2HD TYR 51 9.161 -8.735 -5.880 401 HD2 TYR 51 1HD TYR 51 8.612 -5.317 -3.415 402 HE1 TYR 51 2HE TYR 51 9.099 -10.184 -3.895 403 HE2 TYR 51 1HE TYR 51 8.551 -6.753 -1.423 404 HH TYR 51 HH TYR 51 8.154 -8.988 -0.790 405 HB2 TYR 51 2HB TYR 51 8.330 -5.169 -5.811 406 HB3 TYR 51 1HB TYR 51 8.503 -6.590 -6.833 407 H ARG 52 H ARG 52 9.684 -3.399 -7.459 408 HA ARG 52 HA ARG 52 9.584 -4.103 -10.174 409 HE ARG 52 HE ARG 52 7.413 -1.867 -11.528 410 HB2 ARG 52 2HB ARG 52 8.511 -2.088 -9.463 411 HB3 ARG 52 1HB ARG 52 10.000 -1.458 -8.777 412 HG2 ARG 52 2HG ARG 52 9.344 -0.352 -10.877 413 HG3 ARG 52 1HG ARG 52 10.930 -1.115 -10.959 414 HD2 ARG 52 2HD ARG 52 9.612 -1.487 -12.991 415 HD3 ARG 52 1HD ARG 52 10.005 -2.993 -12.165 416 HH11 ARG 52 1HH1 ARG 52 9.240 -4.016 -13.608 417 HH12 ARG 52 2HH1 ARG 52 7.864 -4.998 -14.001 418 HH21 ARG 52 1HH2 ARG 52 5.596 -3.158 -12.063 419 HH22 ARG 52 2HH2 ARG 52 5.805 -4.528 -13.124 420 H GLN 53 H GLN 53 12.141 -2.409 -8.359 421 HA GLN 53 HA GLN 53 14.020 -2.305 -10.436 422 HB2 GLN 53 2HB GLN 53 14.256 -2.261 -7.434 423 HB3 GLN 53 1HB GLN 53 15.678 -2.159 -8.455 424 HG2 GLN 53 2HG GLN 53 13.345 -0.266 -8.577 425 HG3 GLN 53 1HG GLN 53 14.833 0.034 -7.684 426 HE21 GLN 53 1HE2 GLN 53 15.321 1.858 -8.882 427 HE22 GLN 53 2HE2 GLN 53 15.853 1.784 -10.528 428 H LEU 54 H LEU 54 13.397 -4.809 -8.027 429 HA LEU 54 HA LEU 54 15.614 -6.436 -8.547 430 HG LEU 54 HG LEU 54 14.113 -9.206 -8.388 431 HB2 LEU 54 2HB LEU 54 14.144 -6.757 -6.620 432 HB3 LEU 54 1HB LEU 54 12.825 -7.210 -7.681 433 HD11 LEU 54 1HD1 LEU 54 16.076 -9.882 -7.116 434 HD12 LEU 54 2HD1 LEU 54 16.036 -8.357 -6.230 435 HD13 LEU 54 3HD1 LEU 54 16.359 -8.362 -7.964 436 HD21 LEU 54 1HD2 LEU 54 13.826 -10.455 -6.300 437 HD22 LEU 54 2HD2 LEU 54 12.461 -9.382 -6.612 438 HD23 LEU 54 3HD2 LEU 54 13.678 -8.937 -5.416 439 H ASP 55 H ASP 55 12.325 -6.552 -9.929 440 HA ASP 55 HA ASP 55 12.931 -8.695 -11.695 441 HB2 ASP 55 2HB ASP 55 10.620 -8.157 -10.992 442 HB3 ASP 55 1HB ASP 55 10.703 -6.660 -11.920 443 H GLU 56 H GLU 56 12.909 -5.182 -12.040 444 HA GLU 56 HA GLU 56 13.395 -4.981 -14.773 445 HB2 GLU 56 2HB GLU 56 14.323 -3.257 -12.475 446 HB3 GLU 56 1HB GLU 56 14.586 -2.817 -14.149 447 HG2 GLU 56 2HG GLU 56 11.965 -3.129 -12.721 448 HG3 GLU 56 1HG GLU 56 12.668 -1.652 -13.377 449 H PHE 57 H PHE 57 15.731 -5.247 -12.111 450 HA PHE 57 HA PHE 57 18.042 -5.297 -13.705 451 HD1 PHE 57 2HD PHE 57 20.347 -4.763 -12.662 452 HD2 PHE 57 1HD PHE 57 19.053 -8.261 -10.619 453 HE1 PHE 57 2HE PHE 57 22.660 -5.592 -12.631 454 HE2 PHE 57 1HE PHE 57 21.365 -9.101 -10.583 455 HZ PHE 57 HZ PHE 57 23.174 -7.767 -11.589 456 HB2 PHE 57 2HB PHE 57 18.148 -4.928 -11.293 457 HB3 PHE 57 1HB PHE 57 17.545 -6.556 -10.996 458 H ARG 58 H ARG 58 15.896 -7.864 -12.588 459 HA ARG 58 HA ARG 58 17.425 -10.043 -13.478 460 HE ARG 58 HE ARG 58 14.356 -12.710 -11.637 461 HB2 ARG 58 2HB ARG 58 14.486 -9.694 -12.919 462 HB3 ARG 58 1HB ARG 58 15.185 -11.236 -13.380 463 HG2 ARG 58 2HG ARG 58 16.435 -11.397 -11.410 464 HG3 ARG 58 1HG ARG 58 16.238 -9.680 -11.051 465 HD2 ARG 58 2HD ARG 58 14.823 -10.880 -9.562 466 HD3 ARG 58 1HD ARG 58 13.790 -10.112 -10.764 467 HH11 ARG 58 1HH1 ARG 58 12.599 -11.059 -9.095 468 HH12 ARG 58 2HH1 ARG 58 11.482 -12.364 -8.841 469 HH21 ARG 58 1HH2 ARG 58 12.877 -14.449 -11.278 470 HH22 ARG 58 2HH2 ARG 58 11.642 -14.266 -10.065 471 H LYS 59 H LYS 59 14.975 -8.071 -15.101 472 HA LYS 59 HA LYS 59 14.889 -9.734 -17.440 473 HB2 LYS 59 2HB LYS 59 14.051 -6.849 -17.082 474 HB3 LYS 59 1HB LYS 59 13.624 -7.879 -18.441 475 HG2 LYS 59 2HG LYS 59 12.806 -8.303 -15.575 476 HG3 LYS 59 1HG LYS 59 11.780 -7.686 -16.873 477 HD2 LYS 59 2HD LYS 59 12.092 -9.801 -18.083 478 HD3 LYS 59 1HD LYS 59 13.056 -10.416 -16.744 479 HE2 LYS 59 2HE LYS 59 10.668 -11.169 -16.738 480 HE3 LYS 59 1HE LYS 59 11.191 -10.357 -15.262 481 HZ1 LYS 59 1HZ LYS 59 9.744 -8.994 -17.465 482 HZ2 LYS 59 2HZ LYS 59 10.073 -8.384 -15.913 483 HZ3 LYS 59 3HZ LYS 59 8.978 -9.658 -16.108 484 H SER 60 H SER 60 16.554 -6.777 -16.543 485 HA SER 60 HA SER 60 17.811 -6.284 -18.995 486 HG SER 60 HG SER 60 20.472 -4.949 -17.336 487 HB2 SER 60 2HB SER 60 17.753 -4.649 -17.139 488 HB3 SER 60 1HB SER 60 18.844 -5.678 -16.213 489 H THR 61 H THR 61 18.907 -8.118 -16.166 490 HA THR 61 HA THR 61 21.392 -8.783 -17.393 491 HB THR 61 HB THR 61 21.066 -8.620 -14.909 492 HG1 THR 61 1HG THR 61 22.072 -11.170 -15.640 493 HG21 THR 61 1HG2 THR 61 20.255 -10.610 -13.719 494 HG22 THR 61 2HG2 THR 61 19.785 -11.331 -15.259 495 HG23 THR 61 3HG2 THR 61 18.983 -9.868 -14.690 496 H ALA 62 H ALA 62 18.244 -10.323 -17.273 497 HA ALA 62 HA ALA 62 18.913 -12.950 -17.862 498 HB1 ALA 62 1HB ALA 62 16.540 -11.424 -18.928 499 HB2 ALA 62 2HB ALA 62 16.634 -12.208 -17.351 500 HB3 ALA 62 3HB ALA 62 16.692 -13.178 -18.823 501 H SER 63 H SER 63 18.598 -10.186 -20.016 502 HA SER 63 HA SER 63 19.035 -11.590 -22.433 503 HG SER 63 HG SER 63 19.510 -10.201 -24.162 504 HB2 SER 63 2HB SER 63 18.127 -9.272 -22.283 505 HB3 SER 63 1HB SER 63 19.726 -8.711 -21.804 506 H LEU 64 H LEU 64 21.277 -9.923 -20.223 507 HA LEU 64 HA LEU 64 23.593 -10.429 -21.813 508 HG LEU 64 HG LEU 64 24.482 -7.513 -19.752 509 HB2 LEU 64 2HB LEU 64 23.170 -9.484 -18.999 510 HB3 LEU 64 1HB LEU 64 24.777 -9.876 -19.573 511 HD11 LEU 64 1HD1 LEU 64 25.712 -8.558 -21.563 512 HD12 LEU 64 2HD1 LEU 64 24.825 -7.147 -22.139 513 HD13 LEU 64 3HD1 LEU 64 24.219 -8.767 -22.477 514 HD21 LEU 64 1HD2 LEU 64 22.707 -6.487 -21.077 515 HD22 LEU 64 2HD2 LEU 64 22.051 -7.419 -19.731 516 HD23 LEU 64 3HD2 LEU 64 21.998 -8.077 -21.366 517 H GLU 65 H GLU 65 21.897 -12.204 -19.378 518 HA GLU 65 HA GLU 65 23.924 -14.035 -18.681 519 HB2 GLU 65 2HB GLU 65 20.925 -14.081 -18.553 520 HB3 GLU 65 1HB GLU 65 21.895 -15.432 -18.027 521 HG2 GLU 65 2HG GLU 65 22.963 -14.045 -16.349 522 HG3 GLU 65 1HG GLU 65 22.042 -12.650 -16.912 523 H HIS 66 H HIS 66 22.374 -13.569 -21.563 524 HA HIS 66 HA HIS 66 22.106 -14.773 -23.494 525 HD1 HIS 66 1HD HIS 66 24.202 -15.667 -25.629 526 HD2 HIS 66 2HD HIS 66 23.097 -19.076 -23.513 527 HE1 HIS 66 1HE HIS 66 24.122 -17.525 -27.324 528 HE2 HIS 66 2HE HIS 66 23.687 -19.610 -25.972 529 HB2 HIS 66 2HB HIS 66 24.446 -15.501 -23.014 530 HB3 HIS 66 1HB HIS 66 23.821 -16.837 -22.065 531 H HIS 67 H HIS 67 20.301 -14.832 -21.291 532 HA HIS 67 HA HIS 67 18.500 -15.870 -20.415 533 HD1 HIS 67 1HD HIS 67 17.109 -17.271 -24.651 534 HD2 HIS 67 2HD HIS 67 17.100 -14.525 -21.523 535 HE1 HIS 67 1HE HIS 67 15.719 -15.333 -25.449 536 HE2 HIS 67 2HE HIS 67 15.805 -13.640 -23.580 537 HB2 HIS 67 2HB HIS 67 18.914 -17.705 -22.777 538 HB3 HIS 67 1HB HIS 67 17.610 -17.942 -21.617 539 H HIS 68 H HIS 68 18.969 -16.541 -18.464 540 HA HIS 68 HA HIS 68 21.159 -18.119 -17.809 541 HD1 HIS 68 1HD HIS 68 18.785 -14.974 -15.952 542 HD2 HIS 68 2HD HIS 68 17.032 -18.755 -16.032 543 HE1 HIS 68 1HE HIS 68 16.317 -14.597 -15.638 544 HE2 HIS 68 2HE HIS 68 15.263 -16.878 -15.793 545 HB2 HIS 68 2HB HIS 68 19.938 -18.365 -15.536 546 HB3 HIS 68 1HB HIS 68 20.475 -16.779 -16.061 547 H HIS 69 H HIS 69 21.380 -20.015 -18.663 548 HA HIS 69 HA HIS 69 19.276 -21.985 -18.764 549 HD1 HIS 69 1HD HIS 69 23.247 -24.023 -20.441 550 HD2 HIS 69 2HD HIS 69 19.208 -24.575 -19.628 551 HE1 HIS 69 1HE HIS 69 22.833 -26.486 -20.720 552 HE2 HIS 69 2HE HIS 69 20.406 -26.818 -20.137 553 HB2 HIS 69 2HB HIS 69 20.777 -21.859 -20.629 554 HB3 HIS 69 1HB HIS 69 22.185 -21.959 -19.585 555 H HIS 70 H HIS 70 18.858 -23.422 -17.224 556 HA HIS 70 HA HIS 70 20.455 -23.474 -14.826 557 HD1 HIS 70 1HD HIS 70 16.087 -24.240 -13.574 558 HD2 HIS 70 2HD HIS 70 19.130 -21.557 -14.487 559 HE1 HIS 70 1HE HIS 70 15.325 -22.022 -12.676 560 HE2 HIS 70 2HE HIS 70 17.302 -20.492 -12.994 561 HB2 HIS 70 2HB HIS 70 17.917 -24.881 -15.639 562 HB3 HIS 70 1HB HIS 70 18.719 -25.207 -14.109 563 H HIS 71 H HIS 71 20.787 -25.710 -13.772 564 HA HIS 71 HA HIS 71 21.743 -27.671 -15.734 565 HD1 HIS 71 1HD HIS 71 24.784 -27.813 -16.576 566 HD2 HIS 71 2HD HIS 71 24.165 -29.473 -12.814 567 HE1 HIS 71 1HE HIS 71 26.215 -29.880 -16.502 568 HE2 HIS 71 2HE HIS 71 25.873 -30.840 -14.197 569 HB2 HIS 71 2HB HIS 71 23.636 -26.221 -14.916 570 HB3 HIS 71 1HB HIS 71 23.317 -26.817 -13.293 571 HA MET 1 HA MET 1 -29.295 18.072 -0.258 572 H1 MET 1 1H MET 1 -29.287 21.010 -0.632 573 H2 MET 1 2H MET 1 -30.663 20.024 -0.711 574 H3 MET 1 3H MET 1 -29.415 19.829 -1.845 575 HB2 MET 1 2HB MET 1 -27.012 18.334 0.484 576 HB3 MET 1 1HB MET 1 -27.167 19.071 -1.103 577 HG2 MET 1 2HG MET 1 -27.290 21.290 -0.054 578 HG3 MET 1 1HG MET 1 -27.113 20.536 1.528 579 HE1 MET 1 1HE MET 1 -23.675 22.324 1.025 580 HE2 MET 1 2HE MET 1 -25.092 22.151 2.063 581 HE3 MET 1 3HE MET 1 -25.246 22.900 0.473 582 H SER 2 H SER 2 -28.845 17.452 1.985 583 HA SER 2 HA SER 2 -29.954 19.386 3.902 584 HG SER 2 HG SER 2 -30.975 15.500 3.869 585 HB2 SER 2 2HB SER 2 -31.052 17.298 4.956 586 HB3 SER 2 1HB SER 2 -31.781 17.952 3.492 587 H GLU 3 H GLU 3 -29.382 18.962 6.135 588 HA GLU 3 HA GLU 3 -27.092 17.153 6.439 589 HB2 GLU 3 2HB GLU 3 -26.220 18.744 8.191 590 HB3 GLU 3 1HB GLU 3 -26.093 19.291 6.527 591 HG2 GLU 3 2HG GLU 3 -27.925 20.795 6.807 592 HG3 GLU 3 1HG GLU 3 -28.302 20.120 8.393 593 H GLY 4 H GLY 4 -27.678 15.551 7.628 594 HA2 GLY 4 2HA GLY 4 -29.053 16.021 10.160 595 HA3 GLY 4 1HA GLY 4 -29.821 14.924 9.017 596 H ALA 5 H ALA 5 -28.644 14.436 11.700 597 HA ALA 5 HA ALA 5 -26.096 13.273 11.502 598 HB1 ALA 5 1HB ALA 5 -28.288 12.624 13.473 599 HB2 ALA 5 2HB ALA 5 -27.109 13.926 13.630 600 HB3 ALA 5 3HB ALA 5 -26.574 12.247 13.654 601 H GLU 6 H GLU 6 -29.253 11.997 10.734 602 HA GLU 6 HA GLU 6 -28.597 9.252 10.737 603 HB2 GLU 6 2HB GLU 6 -30.614 10.716 9.027 604 HB3 GLU 6 1HB GLU 6 -30.572 8.981 9.303 605 HG2 GLU 6 2HG GLU 6 -30.964 9.382 11.690 606 HG3 GLU 6 1HG GLU 6 -31.088 11.107 11.361 607 H GLU 7 H GLU 7 -28.805 11.551 8.055 608 HA GLU 7 HA GLU 7 -27.712 9.833 6.100 609 HB2 GLU 7 2HB GLU 7 -29.048 11.976 5.759 610 HB3 GLU 7 1HB GLU 7 -27.556 12.843 6.075 611 HG2 GLU 7 2HG GLU 7 -26.502 11.868 4.165 612 HG3 GLU 7 1HG GLU 7 -27.878 10.800 3.894 613 H LEU 8 H LEU 8 -26.307 12.136 8.322 614 HA LEU 8 HA LEU 8 -23.692 12.175 7.307 615 HG LEU 8 HG LEU 8 -25.379 14.418 8.436 616 HB2 LEU 8 2HB LEU 8 -24.866 12.646 10.036 617 HB3 LEU 8 1HB LEU 8 -23.166 12.828 9.719 618 HD11 LEU 8 1HD1 LEU 8 -24.961 15.014 10.767 619 HD12 LEU 8 2HD1 LEU 8 -24.446 16.294 9.670 620 HD13 LEU 8 3HD1 LEU 8 -23.248 15.231 10.406 621 HD21 LEU 8 1HD2 LEU 8 -23.577 15.744 7.429 622 HD22 LEU 8 2HD2 LEU 8 -23.554 14.073 6.868 623 HD23 LEU 8 3HD2 LEU 8 -22.390 14.613 8.078 624 H LYS 9 H LYS 9 -25.301 10.132 9.676 625 HA LYS 9 HA LYS 9 -22.994 8.626 10.384 626 HB2 LYS 9 2HB LYS 9 -25.257 8.985 11.627 627 HB3 LYS 9 1HB LYS 9 -25.812 7.630 10.660 628 HG2 LYS 9 2HG LYS 9 -24.280 6.153 11.667 629 HG3 LYS 9 1HG LYS 9 -23.374 7.480 12.406 630 HD2 LYS 9 2HD LYS 9 -25.385 8.061 13.724 631 HD3 LYS 9 1HD LYS 9 -26.201 6.651 13.048 632 HE2 LYS 9 2HE LYS 9 -24.624 5.172 14.086 633 HE3 LYS 9 1HE LYS 9 -23.639 6.533 14.630 634 HZ1 LYS 9 1HZ LYS 9 -26.456 6.111 15.467 635 HZ2 LYS 9 2HZ LYS 9 -25.339 7.218 16.106 636 HZ3 LYS 9 3HZ LYS 9 -25.123 5.557 16.359 637 H ALA 10 H ALA 10 -25.599 8.219 8.058 638 HA ALA 10 HA ALA 10 -24.931 5.603 7.225 639 HB1 ALA 10 1HB ALA 10 -26.296 7.790 5.657 640 HB2 ALA 10 2HB ALA 10 -27.094 6.649 6.740 641 HB3 ALA 10 3HB ALA 10 -26.308 6.068 5.271 642 H LYS 11 H LYS 11 -23.954 8.807 6.071 643 HA LYS 11 HA LYS 11 -22.345 7.958 3.926 644 HB2 LYS 11 2HB LYS 11 -23.019 10.295 4.261 645 HB3 LYS 11 1HB LYS 11 -22.023 10.387 5.703 646 HG2 LYS 11 2HG LYS 11 -20.809 11.440 3.976 647 HG3 LYS 11 1HG LYS 11 -20.041 9.877 4.244 648 HD2 LYS 11 2HD LYS 11 -21.348 8.984 2.315 649 HD3 LYS 11 1HD LYS 11 -21.920 10.625 2.006 650 HE2 LYS 11 2HE LYS 11 -19.520 11.331 1.844 651 HE3 LYS 11 1HE LYS 11 -19.078 9.625 1.917 652 HZ1 LYS 11 1HZ LYS 11 -20.522 11.073 -0.209 653 HZ2 LYS 11 2HZ LYS 11 -20.668 9.392 -0.063 654 HZ3 LYS 11 3HZ LYS 11 -19.146 10.090 -0.337 655 H LEU 12 H LEU 12 -21.477 8.747 7.276 656 HA LEU 12 HA LEU 12 -18.764 8.050 7.127 657 HG LEU 12 HG LEU 12 -18.470 6.761 9.965 658 HB2 LEU 12 2HB LEU 12 -19.782 9.303 8.991 659 HB3 LEU 12 1HB LEU 12 -20.631 7.854 9.494 660 HD11 LEU 12 1HD1 LEU 12 -17.300 9.452 9.276 661 HD12 LEU 12 2HD1 LEU 12 -17.068 7.947 8.384 662 HD13 LEU 12 3HD1 LEU 12 -16.425 8.111 10.018 663 HD21 LEU 12 1HD2 LEU 12 -19.657 7.902 11.753 664 HD22 LEU 12 2HD2 LEU 12 -18.856 9.417 11.337 665 HD23 LEU 12 3HD2 LEU 12 -17.912 8.062 11.957 666 H LYS 13 H LYS 13 -21.626 6.129 7.892 667 HA LYS 13 HA LYS 13 -20.448 3.698 8.537 668 HB2 LYS 13 2HB LYS 13 -22.882 4.269 8.648 669 HB3 LYS 13 1HB LYS 13 -22.960 4.093 6.905 670 HG2 LYS 13 2HG LYS 13 -22.296 1.735 7.131 671 HG3 LYS 13 1HG LYS 13 -22.297 1.925 8.887 672 HD2 LYS 13 2HD LYS 13 -24.689 2.628 8.734 673 HD3 LYS 13 1HD LYS 13 -24.645 2.218 7.018 674 HE2 LYS 13 2HE LYS 13 -25.602 0.387 8.281 675 HE3 LYS 13 1HE LYS 13 -24.044 -0.095 7.614 676 HZ1 LYS 13 1HZ LYS 13 -24.481 -0.713 10.006 677 HZ2 LYS 13 2HZ LYS 13 -24.326 0.936 10.375 678 HZ3 LYS 13 3HZ LYS 13 -23.020 0.089 9.701 679 H LYS 14 H LYS 14 -21.404 4.938 5.361 680 HA LYS 14 HA LYS 14 -20.655 2.801 3.760 681 HB2 LYS 14 2HB LYS 14 -21.940 4.887 3.112 682 HB3 LYS 14 1HB LYS 14 -20.393 5.717 3.012 683 HG2 LYS 14 2HG LYS 14 -21.057 5.054 0.815 684 HG3 LYS 14 1HG LYS 14 -19.677 4.068 1.307 685 HD2 LYS 14 2HD LYS 14 -21.353 2.687 0.231 686 HD3 LYS 14 1HD LYS 14 -21.217 2.256 1.931 687 HE2 LYS 14 2HE LYS 14 -23.184 3.697 2.394 688 HE3 LYS 14 1HE LYS 14 -23.351 3.965 0.660 689 HZ1 LYS 14 1HZ LYS 14 -24.802 2.190 1.572 690 HZ2 LYS 14 2HZ LYS 14 -23.413 1.286 1.931 691 HZ3 LYS 14 3HZ LYS 14 -23.788 1.663 0.321 692 H LEU 15 H LEU 15 -18.735 5.647 4.702 693 HA LEU 15 HA LEU 15 -16.402 4.877 3.301 694 HG LEU 15 HG LEU 15 -15.929 8.462 3.908 695 HB2 LEU 15 2HB LEU 15 -17.034 6.875 5.416 696 HB3 LEU 15 1HB LEU 15 -15.352 6.469 5.152 697 HD11 LEU 15 1HD1 LEU 15 -15.244 7.763 1.666 698 HD12 LEU 15 2HD1 LEU 15 -15.564 6.084 2.096 699 HD13 LEU 15 3HD1 LEU 15 -14.283 6.974 2.919 700 HD21 LEU 15 1HD2 LEU 15 -17.560 8.415 2.093 701 HD22 LEU 15 2HD2 LEU 15 -18.321 8.080 3.649 702 HD23 LEU 15 3HD2 LEU 15 -17.996 6.763 2.521 703 H ASN 16 H ASN 16 -17.402 4.461 6.671 704 HA ASN 16 HA ASN 16 -15.027 3.295 7.618 705 HB2 ASN 16 2HB ASN 16 -16.959 4.181 8.999 706 HB3 ASN 16 1HB ASN 16 -17.819 2.696 8.615 707 HD21 ASN 16 1HD2 ASN 16 -16.876 3.823 11.175 708 HD22 ASN 16 2HD2 ASN 16 -15.901 2.588 11.902 709 H ALA 17 H ALA 17 -17.952 1.850 6.218 710 HA ALA 17 HA ALA 17 -17.203 -0.851 6.528 711 HB1 ALA 17 1HB ALA 17 -18.903 -1.335 4.846 712 HB2 ALA 17 2HB ALA 17 -18.974 0.373 4.413 713 HB3 ALA 17 3HB ALA 17 -19.492 -0.153 6.014 714 H GLN 18 H GLN 18 -16.791 1.401 3.806 715 HA GLN 18 HA GLN 18 -15.542 -0.414 2.061 716 HB2 GLN 18 2HB GLN 18 -16.489 1.826 1.435 717 HB3 GLN 18 1HB GLN 18 -15.083 2.572 2.184 718 HG2 GLN 18 2HG GLN 18 -13.634 1.355 0.607 719 HG3 GLN 18 1HG GLN 18 -15.070 0.699 -0.170 720 HE21 GLN 18 1HE2 GLN 18 -16.541 3.232 0.205 721 HE22 GLN 18 2HE2 GLN 18 -15.908 4.317 -0.987 722 H ALA 19 H ALA 19 -14.209 1.840 4.449 723 HA ALA 19 HA ALA 19 -11.490 1.353 3.909 724 HB1 ALA 19 1HB ALA 19 -12.271 3.286 5.175 725 HB2 ALA 19 2HB ALA 19 -11.069 2.372 6.086 726 HB3 ALA 19 3HB ALA 19 -12.780 2.228 6.490 727 H THR 20 H THR 20 -13.807 -0.265 6.016 728 HA THR 20 HA THR 20 -11.902 -1.977 7.270 729 HB THR 20 HB THR 20 -14.881 -2.402 6.950 730 HG1 THR 20 1HG THR 20 -14.426 -0.428 8.009 731 HG21 THR 20 1HG2 THR 20 -13.691 -4.425 7.640 732 HG22 THR 20 2HG2 THR 20 -14.655 -3.786 8.970 733 HG23 THR 20 3HG2 THR 20 -12.910 -3.531 8.942 734 H ALA 21 H ALA 21 -13.910 -2.191 4.389 735 HA ALA 21 HA ALA 21 -13.330 -4.896 3.774 736 HB1 ALA 21 1HB ALA 21 -14.075 -2.655 1.898 737 HB2 ALA 21 2HB ALA 21 -15.209 -3.687 2.766 738 HB3 ALA 21 3HB ALA 21 -14.148 -4.380 1.541 739 H LEU 22 H LEU 22 -11.801 -1.830 2.906 740 HA LEU 22 HA LEU 22 -9.830 -2.979 1.210 741 HG LEU 22 HG LEU 22 -11.644 -0.554 0.907 742 HB2 LEU 22 2HB LEU 22 -9.904 -0.331 2.655 743 HB3 LEU 22 1HB LEU 22 -8.685 -0.775 1.473 744 HD11 LEU 22 1HD1 LEU 22 -9.376 1.287 0.166 745 HD12 LEU 22 2HD1 LEU 22 -10.626 1.617 1.367 746 HD13 LEU 22 3HD1 LEU 22 -11.059 1.453 -0.334 747 HD21 LEU 22 1HD2 LEU 22 -10.955 -0.742 -1.441 748 HD22 LEU 22 2HD2 LEU 22 -10.548 -2.188 -0.517 749 HD23 LEU 22 3HD2 LEU 22 -9.292 -1.018 -0.923 750 H LYS 23 H LYS 23 -10.067 -2.486 4.649 751 HA LYS 23 HA LYS 23 -7.393 -2.729 5.400 752 HB2 LYS 23 2HB LYS 23 -9.420 -2.238 6.882 753 HB3 LYS 23 1HB LYS 23 -9.705 -3.969 6.905 754 HG2 LYS 23 2HG LYS 23 -7.090 -2.792 7.792 755 HG3 LYS 23 1HG LYS 23 -8.468 -2.936 8.882 756 HD2 LYS 23 2HD LYS 23 -8.496 -5.328 8.609 757 HD3 LYS 23 1HD LYS 23 -7.253 -5.239 7.361 758 HE2 LYS 23 2HE LYS 23 -6.264 -5.947 9.450 759 HE3 LYS 23 1HE LYS 23 -5.674 -4.345 9.020 760 HZ1 LYS 23 1HZ LYS 23 -6.212 -4.482 11.359 761 HZ2 LYS 23 2HZ LYS 23 -7.803 -4.932 11.012 762 HZ3 LYS 23 3HZ LYS 23 -7.249 -3.384 10.597 763 H MET 24 H MET 24 -9.832 -5.286 4.943 764 HA MET 24 HA MET 24 -7.906 -7.383 5.284 765 HB2 MET 24 2HB MET 24 -9.717 -8.900 4.669 766 HB3 MET 24 1HB MET 24 -10.251 -7.735 5.871 767 HG2 MET 24 2HG MET 24 -11.351 -6.435 4.122 768 HG3 MET 24 1HG MET 24 -10.823 -7.607 2.916 769 HE1 MET 24 1HE MET 24 -11.649 -10.133 2.858 770 HE2 MET 24 2HE MET 24 -12.781 -10.827 4.017 771 HE3 MET 24 3HE MET 24 -11.161 -10.356 4.536 772 H ASP 25 H ASP 25 -9.136 -5.557 2.616 773 HA ASP 25 HA ASP 25 -8.419 -7.272 0.488 774 HB2 ASP 25 2HB ASP 25 -9.965 -5.344 0.266 775 HB3 ASP 25 1HB ASP 25 -8.614 -4.246 0.507 776 H LEU 26 H LEU 26 -6.734 -4.506 1.967 777 HA LEU 26 HA LEU 26 -4.324 -4.846 0.500 778 HG LEU 26 HG LEU 26 -2.402 -3.904 2.777 779 HB2 LEU 26 2HB LEU 26 -4.913 -2.735 1.574 780 HB3 LEU 26 1HB LEU 26 -4.835 -3.495 3.150 781 HD11 LEU 26 1HD1 LEU 26 -2.346 -3.884 0.365 782 HD12 LEU 26 2HD1 LEU 26 -1.284 -2.626 0.996 783 HD13 LEU 26 3HD1 LEU 26 -2.861 -2.196 0.338 784 HD21 LEU 26 1HD2 LEU 26 -1.715 -1.591 3.168 785 HD22 LEU 26 2HD2 LEU 26 -3.169 -1.992 4.083 786 HD23 LEU 26 3HD2 LEU 26 -3.289 -1.024 2.614 787 H HIS 27 H HIS 27 -5.474 -6.038 3.608 788 HA HIS 27 HA HIS 27 -3.069 -7.082 4.581 789 HD1 HIS 27 1HD HIS 27 -5.614 -10.286 6.473 790 HD2 HIS 27 2HD HIS 27 -2.513 -7.597 7.122 791 HE1 HIS 27 1HE HIS 27 -4.208 -11.300 8.289 792 HE2 HIS 27 2HE HIS 27 -2.535 -9.503 8.871 793 HB2 HIS 27 2HB HIS 27 -5.227 -6.847 5.867 794 HB3 HIS 27 1HB HIS 27 -5.809 -8.281 5.026 795 H ASP 28 H ASP 28 -5.595 -8.613 2.607 796 HA ASP 28 HA ASP 28 -4.384 -11.136 2.398 797 HB2 ASP 28 2HB ASP 28 -6.696 -10.854 1.771 798 HB3 ASP 28 1HB ASP 28 -6.262 -9.700 0.514 799 H LEU 29 H LEU 29 -4.014 -8.194 0.503 800 HA LEU 29 HA LEU 29 -2.467 -9.318 -1.573 801 HG LEU 29 HG LEU 29 -0.597 -6.805 -2.008 802 HB2 LEU 29 2HB LEU 29 -3.589 -7.163 -1.789 803 HB3 LEU 29 1HB LEU 29 -2.556 -6.481 -0.547 804 HD11 LEU 29 1HD1 LEU 29 -2.627 -7.695 -4.050 805 HD12 LEU 29 2HD1 LEU 29 -1.416 -8.721 -3.280 806 HD13 LEU 29 3HD1 LEU 29 -0.912 -7.412 -4.348 807 HD21 LEU 29 1HD2 LEU 29 -2.869 -5.280 -3.266 808 HD22 LEU 29 2HD2 LEU 29 -1.156 -5.052 -3.619 809 HD23 LEU 29 3HD2 LEU 29 -1.784 -4.683 -2.011 810 H ALA 30 H ALA 30 -1.607 -7.886 1.541 811 HA ALA 30 HA ALA 30 1.192 -7.894 1.174 812 HB1 ALA 30 1HB ALA 30 0.078 -6.649 2.975 813 HB2 ALA 30 2HB ALA 30 1.344 -7.707 3.593 814 HB3 ALA 30 3HB ALA 30 -0.351 -8.172 3.753 815 H GLU 31 H GLU 31 -1.090 -10.372 2.054 816 HA GLU 31 HA GLU 31 0.939 -12.290 2.780 817 HB2 GLU 31 2HB GLU 31 -2.027 -12.641 2.310 818 HB3 GLU 31 1HB GLU 31 -0.953 -13.802 3.066 819 HG2 GLU 31 2HG GLU 31 -0.550 -12.256 4.902 820 HG3 GLU 31 1HG GLU 31 -1.612 -11.074 4.137 821 H ASP 32 H ASP 32 -0.684 -11.208 -0.011 822 HA ASP 32 HA ASP 32 -0.372 -13.670 -1.518 823 HB2 ASP 32 2HB ASP 32 -2.359 -12.006 -1.646 824 HB3 ASP 32 1HB ASP 32 -1.282 -11.019 -2.628 825 H LEU 33 H LEU 33 1.719 -11.495 -0.561 826 HA LEU 33 HA LEU 33 3.042 -10.242 -2.538 827 HG LEU 33 HG LEU 33 2.979 -9.208 0.030 828 HB2 LEU 33 2HB LEU 33 3.895 -11.474 0.008 829 HB3 LEU 33 1HB LEU 33 5.162 -10.968 -1.098 830 HD11 LEU 33 1HD1 LEU 33 4.745 -9.768 1.632 831 HD12 LEU 33 2HD1 LEU 33 4.786 -8.065 1.176 832 HD13 LEU 33 3HD1 LEU 33 5.958 -9.189 0.489 833 HD21 LEU 33 1HD2 LEU 33 3.483 -8.544 -2.245 834 HD22 LEU 33 2HD2 LEU 33 5.213 -8.579 -1.899 835 HD23 LEU 33 3HD2 LEU 33 4.181 -7.379 -1.117 836 HA PRO 34 HA PRO 34 5.869 -11.142 -5.438 837 HB2 PRO 34 2HB PRO 34 6.143 -13.946 -4.391 838 HB3 PRO 34 1HB PRO 34 7.204 -13.083 -5.523 839 HG2 PRO 34 2HG PRO 34 7.455 -12.997 -2.730 840 HG3 PRO 34 1HG PRO 34 8.151 -11.818 -3.856 841 HD2 PRO 34 2HD PRO 34 6.189 -11.233 -1.922 842 HD3 PRO 34 1HD PRO 34 6.525 -10.235 -3.364 843 H THR 35 H THR 35 2.879 -11.963 -4.687 844 HA THR 35 HA THR 35 2.389 -12.241 -7.563 845 HB THR 35 HB THR 35 0.583 -13.493 -5.504 846 HG1 THR 35 1HG THR 35 2.934 -14.418 -6.551 847 HG21 THR 35 1HG2 THR 35 0.760 -13.828 -8.494 848 HG22 THR 35 2HG2 THR 35 -0.476 -12.916 -7.628 849 HG23 THR 35 3HG2 THR 35 -0.368 -14.665 -7.431 850 H GLY 36 H GLY 36 0.440 -11.143 -8.204 851 HA2 GLY 36 2HA GLY 36 -0.922 -9.294 -8.227 852 HA3 GLY 36 1HA GLY 36 -1.282 -9.710 -6.563 853 H TRP 37 H TRP 37 2.010 -9.095 -6.922 854 HA TRP 37 HA TRP 37 2.000 -6.881 -5.232 855 HD1 TRP 37 HD TRP 37 3.553 -10.014 -7.550 856 HE1 TRP 37 1HE TRP 37 4.869 -10.154 -9.758 857 HE3 TRP 37 3HE TRP 37 5.711 -5.381 -7.480 858 HZ2 TRP 37 2HZ TRP 37 6.606 -8.506 -11.260 859 HZ3 TRP 37 3HZ TRP 37 7.191 -4.744 -9.335 860 HH2 TRP 37 HH TRP 37 7.629 -6.276 -11.186 861 HB2 TRP 37 2HB TRP 37 4.407 -6.652 -5.839 862 HB3 TRP 37 1HB TRP 37 3.947 -8.290 -5.389 863 H ASN 38 H ASN 38 1.520 -6.996 -8.632 864 HA ASN 38 HA ASN 38 2.301 -4.304 -9.178 865 HB2 ASN 38 2HB ASN 38 2.017 -6.188 -10.883 866 HB3 ASN 38 1HB ASN 38 0.283 -5.903 -10.752 867 HD21 ASN 38 1HD2 ASN 38 0.045 -5.225 -12.857 868 HD22 ASN 38 2HD2 ASN 38 0.690 -3.723 -13.439 869 H ARG 39 H ARG 39 -0.457 -5.806 -7.765 870 HA ARG 39 HA ARG 39 -2.307 -3.672 -8.290 871 HE ARG 39 HE ARG 39 -4.351 -8.311 -9.633 872 HB2 ARG 39 2HB ARG 39 -2.483 -5.916 -6.276 873 HB3 ARG 39 1HB ARG 39 -3.802 -4.904 -6.822 874 HG2 ARG 39 2HG ARG 39 -3.642 -5.853 -9.049 875 HG3 ARG 39 1HG ARG 39 -2.271 -6.843 -8.537 876 HD2 ARG 39 2HD ARG 39 -3.781 -7.840 -6.788 877 HD3 ARG 39 1HD ARG 39 -5.121 -6.992 -7.557 878 HH11 ARG 39 1HH1 ARG 39 -4.292 -9.460 -6.319 879 HH12 ARG 39 2HH1 ARG 39 -4.372 -11.143 -6.757 880 HH21 ARG 39 1HH2 ARG 39 -4.494 -10.528 -10.223 881 HH22 ARG 39 2HH2 ARG 39 -4.511 -11.748 -8.975 882 H ILE 40 H ILE 40 0.264 -4.090 -6.169 883 HA ILE 40 HA ILE 40 -0.643 -3.257 -3.692 884 HB ILE 40 HB ILE 40 2.052 -2.881 -4.988 885 HG12 ILE 40 2HG1 ILE 40 1.038 -4.727 -2.814 886 HG13 ILE 40 1HG1 ILE 40 1.362 -5.183 -4.482 887 HG21 ILE 40 1HG2 ILE 40 1.766 -1.100 -3.336 888 HG22 ILE 40 2HG2 ILE 40 2.937 -2.297 -2.779 889 HG23 ILE 40 3HG2 ILE 40 1.300 -2.294 -2.125 890 HD11 ILE 40 1HD1 ILE 40 3.384 -4.254 -2.457 891 HD12 ILE 40 2HD1 ILE 40 3.734 -4.659 -4.138 892 HD13 ILE 40 3HD1 ILE 40 3.153 -5.905 -3.034 893 H MET 41 H MET 41 0.485 -1.231 -6.380 894 HA MET 41 HA MET 41 0.356 1.229 -5.027 895 HB2 MET 41 2HB MET 41 0.004 0.627 -7.963 896 HB3 MET 41 1HB MET 41 0.193 2.239 -7.298 897 HG2 MET 41 2HG MET 41 2.239 0.068 -6.962 898 HG3 MET 41 1HG MET 41 2.249 1.206 -8.306 899 HE1 MET 41 1HE MET 41 3.515 1.988 -3.969 900 HE2 MET 41 2HE MET 41 3.339 0.427 -4.772 901 HE3 MET 41 3HE MET 41 1.910 1.331 -4.275 902 H GLU 42 H GLU 42 -2.076 -0.463 -6.962 903 HA GLU 42 HA GLU 42 -4.062 1.536 -6.828 904 HB2 GLU 42 2HB GLU 42 -4.097 -0.351 -8.430 905 HB3 GLU 42 1HB GLU 42 -4.396 -1.458 -7.102 906 HG2 GLU 42 2HG GLU 42 -6.500 -0.233 -6.629 907 HG3 GLU 42 1HG GLU 42 -6.218 0.727 -8.081 908 H VAL 43 H VAL 43 -3.680 -1.476 -5.008 909 HA VAL 43 HA VAL 43 -5.886 -1.113 -3.320 910 HB VAL 43 HB VAL 43 -3.376 -2.668 -2.672 911 HG11 VAL 43 1HG1 VAL 43 -4.840 -3.998 -1.248 912 HG12 VAL 43 2HG1 VAL 43 -6.203 -2.962 -1.669 913 HG13 VAL 43 3HG1 VAL 43 -4.845 -2.304 -0.756 914 HG21 VAL 43 1HG2 VAL 43 -5.870 -3.524 -4.135 915 HG22 VAL 43 2HG2 VAL 43 -4.571 -4.600 -3.615 916 HG23 VAL 43 3HG2 VAL 43 -4.255 -3.355 -4.824 917 H ALA 44 H ALA 44 -2.466 -0.261 -2.829 918 HA ALA 44 HA ALA 44 -2.740 0.648 -0.177 919 HB1 ALA 44 1HB ALA 44 -0.746 1.520 -2.265 920 HB2 ALA 44 2HB ALA 44 -0.561 0.161 -1.155 921 HB3 ALA 44 3HB ALA 44 -0.615 1.809 -0.530 922 H GLU 45 H GLU 45 -2.990 2.351 -3.289 923 HA GLU 45 HA GLU 45 -3.355 4.924 -2.228 924 HB2 GLU 45 2HB GLU 45 -2.931 4.344 -4.654 925 HB3 GLU 45 1HB GLU 45 -4.631 3.904 -4.769 926 HG2 GLU 45 2HG GLU 45 -5.231 6.193 -4.076 927 HG3 GLU 45 1HG GLU 45 -3.522 6.615 -4.080 928 H LYS 46 H LYS 46 -5.737 2.468 -3.190 929 HA LYS 46 HA LYS 46 -8.058 3.843 -2.485 930 HB2 LYS 46 2HB LYS 46 -7.440 0.895 -2.404 931 HB3 LYS 46 1HB LYS 46 -9.047 1.558 -2.147 932 HG2 LYS 46 2HG LYS 46 -8.934 2.591 -4.390 933 HG3 LYS 46 1HG LYS 46 -7.380 1.790 -4.637 934 HD2 LYS 46 2HD LYS 46 -9.964 0.370 -4.016 935 HD3 LYS 46 1HD LYS 46 -9.293 0.588 -5.628 936 HE2 LYS 46 2HE LYS 46 -7.321 -0.687 -5.016 937 HE3 LYS 46 1HE LYS 46 -7.906 -0.832 -3.360 938 HZ1 LYS 46 1HZ LYS 46 -8.311 -2.845 -4.667 939 HZ2 LYS 46 2HZ LYS 46 -9.270 -1.960 -5.751 940 HZ3 LYS 46 3HZ LYS 46 -9.759 -2.144 -4.138 941 H THR 47 H THR 47 -6.050 1.671 -0.522 942 HA THR 47 HA THR 47 -7.606 1.697 1.792 943 HB THR 47 HB THR 47 -4.598 1.405 1.625 944 HG1 THR 47 1HG THR 47 -5.518 -0.122 0.268 945 HG21 THR 47 1HG2 THR 47 -5.399 1.680 3.906 946 HG22 THR 47 2HG2 THR 47 -4.885 0.014 3.634 947 HG23 THR 47 3HG2 THR 47 -6.602 0.416 3.651 948 H TYR 48 H TYR 48 -4.852 3.768 0.889 949 HA TYR 48 HA TYR 48 -4.847 5.273 3.279 950 HD1 TYR 48 2HD TYR 48 -4.352 8.511 1.001 951 HD2 TYR 48 1HD TYR 48 -1.921 6.188 3.608 952 HE1 TYR 48 2HE TYR 48 -3.532 10.574 2.059 953 HE2 TYR 48 1HE TYR 48 -1.088 8.243 4.670 954 HH TYR 48 HH TYR 48 -0.839 10.747 3.902 955 HB2 TYR 48 2HB TYR 48 -2.945 5.180 1.677 956 HB3 TYR 48 1HB TYR 48 -3.889 6.138 0.540 957 H GLU 49 H GLU 49 -6.251 5.900 0.087 958 HA GLU 49 HA GLU 49 -7.332 8.410 0.618 959 HB2 GLU 49 2HB GLU 49 -7.984 6.231 -1.338 960 HB3 GLU 49 1HB GLU 49 -8.961 7.682 -1.268 961 HG2 GLU 49 2HG GLU 49 -5.988 7.654 -1.716 962 HG3 GLU 49 1HG GLU 49 -7.196 7.743 -2.997 963 H ALA 50 H ALA 50 -8.646 5.185 1.171 964 HA ALA 50 HA ALA 50 -11.264 5.972 1.849 965 HB1 ALA 50 1HB ALA 50 -9.739 3.576 2.861 966 HB2 ALA 50 2HB ALA 50 -10.637 3.651 1.345 967 HB3 ALA 50 3HB ALA 50 -11.488 3.794 2.883 968 H TYR 51 H TYR 51 -8.444 5.274 3.944 969 HA TYR 51 HA TYR 51 -9.757 5.975 6.347 970 HD1 TYR 51 1HD TYR 51 -9.730 4.162 7.196 971 HD2 TYR 51 2HD TYR 51 -5.721 3.824 5.818 972 HE1 TYR 51 1HE TYR 51 -9.852 1.721 7.464 973 HE2 TYR 51 2HE TYR 51 -5.837 1.382 6.075 974 HH TYR 51 HH TYR 51 -8.731 -0.288 6.507 975 HB2 TYR 51 2HB TYR 51 -6.816 5.900 5.671 976 HB3 TYR 51 1HB TYR 51 -7.458 6.105 7.293 977 H ARG 52 H ARG 52 -7.993 7.790 3.969 978 HA ARG 52 HA ARG 52 -7.676 10.206 5.376 979 HE ARG 52 HE ARG 52 -6.432 13.875 2.245 980 HB2 ARG 52 2HB ARG 52 -6.500 9.669 3.287 981 HB3 ARG 52 1HB ARG 52 -8.022 9.712 2.411 982 HG2 ARG 52 2HG ARG 52 -8.250 12.085 2.898 983 HG3 ARG 52 1HG ARG 52 -6.744 12.041 3.815 984 HD2 ARG 52 2HD ARG 52 -5.578 11.285 1.761 985 HD3 ARG 52 1HD ARG 52 -7.088 11.501 0.875 986 HH11 ARG 52 1HH1 ARG 52 -5.522 11.943 -0.517 987 HH12 ARG 52 2HH1 ARG 52 -4.809 13.275 -1.382 988 HH21 ARG 52 1HH2 ARG 52 -5.526 15.631 1.143 989 HH22 ARG 52 2HH2 ARG 52 -4.844 15.399 -0.438 990 H GLN 53 H GLN 53 -10.113 9.297 2.949 991 HA GLN 53 HA GLN 53 -11.831 11.477 3.317 992 HB2 GLN 53 2HB GLN 53 -11.955 8.840 2.039 993 HB3 GLN 53 1HB GLN 53 -13.511 9.402 2.616 994 HG2 GLN 53 2HG GLN 53 -13.308 10.060 0.353 995 HG3 GLN 53 1HG GLN 53 -13.147 11.510 1.338 996 HE21 GLN 53 1HE2 GLN 53 -12.269 10.906 -1.398 997 HE22 GLN 53 2HE2 GLN 53 -10.563 11.210 -1.421 998 H LEU 54 H LEU 54 -11.641 8.367 4.947 999 HA LEU 54 HA LEU 54 -14.001 8.552 6.443 1000 HG LEU 54 HG LEU 54 -14.349 6.629 7.944 1001 HB2 LEU 54 2HB LEU 54 -12.513 6.520 6.120 1002 HB3 LEU 54 1HB LEU 54 -11.453 7.201 7.336 1003 HD11 LEU 54 1HD1 LEU 54 -12.010 4.744 8.203 1004 HD12 LEU 54 2HD1 LEU 54 -13.380 4.561 7.105 1005 HD13 LEU 54 3HD1 LEU 54 -13.626 4.472 8.850 1006 HD21 LEU 54 1HD2 LEU 54 -13.506 6.464 10.237 1007 HD22 LEU 54 2HD2 LEU 54 -13.124 8.035 9.530 1008 HD23 LEU 54 3HD2 LEU 54 -11.873 6.798 9.664 1009 H ASP 55 H ASP 55 -10.663 9.495 7.281 1010 HA ASP 55 HA ASP 55 -11.365 10.470 9.856 1011 HB2 ASP 55 2HB ASP 55 -9.061 9.771 9.206 1012 HB3 ASP 55 1HB ASP 55 -8.939 11.221 8.213 1013 H GLU 56 H GLU 56 -11.276 11.924 6.676 1014 HA GLU 56 HA GLU 56 -11.561 14.622 7.480 1015 HB2 GLU 56 2HB GLU 56 -11.953 13.071 4.992 1016 HB3 GLU 56 1HB GLU 56 -12.874 14.563 5.107 1017 HG2 GLU 56 2HG GLU 56 -9.899 14.391 5.507 1018 HG3 GLU 56 1HG GLU 56 -10.672 14.769 3.967 1019 H PHE 57 H PHE 57 -14.000 12.199 6.568 1020 HA PHE 57 HA PHE 57 -16.161 13.931 7.263 1021 HD1 PHE 57 2HD PHE 57 -17.750 13.769 5.177 1022 HD2 PHE 57 1HD PHE 57 -18.572 10.722 8.028 1023 HE1 PHE 57 2HE PHE 57 -20.150 14.293 5.037 1024 HE2 PHE 57 1HE PHE 57 -20.971 11.241 7.897 1025 HZ PHE 57 HZ PHE 57 -21.762 13.029 6.399 1026 HB2 PHE 57 2HB PHE 57 -16.152 11.845 5.691 1027 HB3 PHE 57 1HB PHE 57 -16.426 10.941 7.178 1028 H ARG 58 H ARG 58 -14.211 11.579 8.912 1029 HA ARG 58 HA ARG 58 -15.604 11.283 11.312 1030 HE ARG 58 HE ARG 58 -12.128 9.852 14.902 1031 HB2 ARG 58 2HB ARG 58 -13.628 9.978 10.790 1032 HB3 ARG 58 1HB ARG 58 -12.638 11.425 10.758 1033 HG2 ARG 58 2HG ARG 58 -13.109 11.715 13.191 1034 HG3 ARG 58 1HG ARG 58 -13.910 10.137 13.159 1035 HD2 ARG 58 2HD ARG 58 -11.844 9.119 12.308 1036 HD3 ARG 58 1HD ARG 58 -11.050 10.688 12.373 1037 HH11 ARG 58 1HH1 ARG 58 -9.351 9.782 12.755 1038 HH12 ARG 58 2HH1 ARG 58 -8.255 9.246 13.999 1039 HH21 ARG 58 1HH2 ARG 58 -10.674 9.192 16.533 1040 HH22 ARG 58 2HH2 ARG 58 -8.999 8.927 16.139 1041 H LYS 59 H LYS 59 -13.112 13.688 10.429 1042 HA LYS 59 HA LYS 59 -13.213 15.217 12.750 1043 HB2 LYS 59 2HB LYS 59 -12.483 15.816 9.909 1044 HB3 LYS 59 1HB LYS 59 -12.602 17.140 11.061 1045 HG2 LYS 59 2HG LYS 59 -10.860 14.713 11.416 1046 HG3 LYS 59 1HG LYS 59 -10.309 16.276 10.807 1047 HD2 LYS 59 2HD LYS 59 -10.958 17.343 12.892 1048 HD3 LYS 59 1HD LYS 59 -11.590 15.812 13.497 1049 HE2 LYS 59 2HE LYS 59 -9.361 14.850 13.447 1050 HE3 LYS 59 1HE LYS 59 -8.715 16.345 12.766 1051 HZ1 LYS 59 1HZ LYS 59 -10.044 16.142 15.412 1052 HZ2 LYS 59 2HZ LYS 59 -9.290 17.512 14.762 1053 HZ3 LYS 59 3HZ LYS 59 -8.364 16.155 15.182 1054 H SER 60 H SER 60 -15.095 15.543 9.767 1055 HA SER 60 HA SER 60 -16.619 17.742 10.557 1056 HG SER 60 HG SER 60 -16.602 16.874 7.094 1057 HB2 SER 60 2HB SER 60 -17.400 15.487 8.704 1058 HB3 SER 60 1HB SER 60 -18.208 17.052 8.804 1059 H THR 61 H THR 61 -17.586 14.318 10.680 1060 HA THR 61 HA THR 61 -20.062 14.885 11.932 1061 HB THR 61 HB THR 61 -18.602 12.244 11.824 1062 HG1 THR 61 1HG THR 61 -20.098 12.001 9.964 1063 HG21 THR 61 1HG2 THR 61 -21.532 12.896 12.180 1064 HG22 THR 61 2HG2 THR 61 -20.453 12.252 13.418 1065 HG23 THR 61 3HG2 THR 61 -20.855 11.279 12.003 1066 H ALA 62 H ALA 62 -16.968 13.664 13.243 1067 HA ALA 62 HA ALA 62 -18.067 13.016 15.784 1068 HB1 ALA 62 1HB ALA 62 -16.014 11.974 14.939 1069 HB2 ALA 62 2HB ALA 62 -15.777 12.703 16.527 1070 HB3 ALA 62 3HB ALA 62 -15.178 13.520 15.084 1071 H SER 63 H SER 63 -16.794 15.955 14.437 1072 HA SER 63 HA SER 63 -16.441 17.296 16.934 1073 HG SER 63 HG SER 63 -16.431 20.164 15.855 1074 HB2 SER 63 2HB SER 63 -15.485 17.885 14.559 1075 HB3 SER 63 1HB SER 63 -17.010 18.746 14.364 1076 H LEU 64 H LEU 64 -19.037 17.013 14.559 1077 HA LEU 64 HA LEU 64 -20.804 18.800 15.945 1078 HG LEU 64 HG LEU 64 -22.020 18.966 12.487 1079 HB2 LEU 64 2HB LEU 64 -20.992 17.026 13.564 1080 HB3 LEU 64 1HB LEU 64 -22.488 17.480 14.354 1081 HD11 LEU 64 1HD1 LEU 64 -22.187 21.103 13.650 1082 HD12 LEU 64 2HD1 LEU 64 -21.647 20.338 15.143 1083 HD13 LEU 64 3HD1 LEU 64 -23.190 19.874 14.425 1084 HD21 LEU 64 1HD2 LEU 64 -19.495 19.706 13.962 1085 HD22 LEU 64 2HD2 LEU 64 -20.095 20.455 12.481 1086 HD23 LEU 64 3HD2 LEU 64 -19.575 18.769 12.471 1087 H GLU 65 H GLU 65 -20.068 15.417 16.087 1088 HA GLU 65 HA GLU 65 -22.394 14.662 17.555 1089 HB2 GLU 65 2HB GLU 65 -19.767 13.374 16.926 1090 HB3 GLU 65 1HB GLU 65 -20.855 12.663 18.090 1091 HG2 GLU 65 2HG GLU 65 -22.622 12.696 16.290 1092 HG3 GLU 65 1HG GLU 65 -21.327 13.118 15.167 1093 H HIS 66 H HIS 66 -19.879 16.573 18.347 1094 HA HIS 66 HA HIS 66 -19.096 17.470 20.287 1095 HD1 HIS 66 1HD HIS 66 -21.052 19.534 21.996 1096 HD2 HIS 66 2HD HIS 66 -19.784 16.189 24.125 1097 HE1 HIS 66 1HE HIS 66 -20.441 20.371 24.287 1098 HE2 HIS 66 2HE HIS 66 -19.837 18.308 25.607 1099 HB2 HIS 66 2HB HIS 66 -21.581 17.337 20.841 1100 HB3 HIS 66 1HB HIS 66 -21.226 15.844 21.692 1101 H HIS 67 H HIS 67 -17.820 15.275 19.226 1102 HA HIS 67 HA HIS 67 -16.279 13.681 19.648 1103 HD1 HIS 67 1HD HIS 67 -13.276 13.936 20.680 1104 HD2 HIS 67 2HD HIS 67 -15.625 17.317 21.290 1105 HE1 HIS 67 1HE HIS 67 -11.857 15.887 19.970 1106 HE2 HIS 67 2HE HIS 67 -13.364 17.897 20.164 1107 HB2 HIS 67 2HB HIS 67 -16.444 14.867 22.411 1108 HB3 HIS 67 1HB HIS 67 -15.402 13.495 22.055 1109 H HIS 68 H HIS 68 -17.584 12.030 19.057 1110 HA HIS 68 HA HIS 68 -19.270 10.746 21.058 1111 HD1 HIS 68 1HD HIS 68 -21.121 9.422 21.125 1112 HD2 HIS 68 2HD HIS 68 -20.592 8.229 17.170 1113 HE1 HIS 68 1HE HIS 68 -22.604 7.417 20.813 1114 HE2 HIS 68 2HE HIS 68 -22.136 6.604 18.471 1115 HB2 HIS 68 2HB HIS 68 -20.180 11.281 18.817 1116 HB3 HIS 68 1HB HIS 68 -18.983 10.219 18.091 1117 H HIS 69 H HIS 69 -16.165 10.498 19.853 1118 HA HIS 69 HA HIS 69 -14.474 9.011 20.056 1119 HD1 HIS 69 1HD HIS 69 -12.596 8.166 21.524 1120 HD2 HIS 69 2HD HIS 69 -15.279 5.175 22.603 1121 HE1 HIS 69 1HE HIS 69 -11.189 6.172 22.124 1122 HE2 HIS 69 2HE HIS 69 -12.822 4.468 22.996 1123 HB2 HIS 69 2HB HIS 69 -15.267 8.848 22.386 1124 HB3 HIS 69 1HB HIS 69 -16.351 7.545 21.919 1125 H HIS 70 H HIS 70 -17.122 6.679 20.405 1126 HA HIS 70 HA HIS 70 -17.293 5.837 17.761 1127 HD1 HIS 70 1HD HIS 70 -16.357 1.821 18.962 1128 HD2 HIS 70 2HD HIS 70 -15.974 4.104 15.513 1129 HE1 HIS 70 1HE HIS 70 -16.841 0.253 17.058 1130 HE2 HIS 70 2HE HIS 70 -16.857 1.727 15.012 1131 HB2 HIS 70 2HB HIS 70 -14.953 5.091 18.002 1132 HB3 HIS 70 1HB HIS 70 -15.404 4.120 19.402 1133 H HIS 71 H HIS 71 -19.380 5.365 18.013 1134 HA HIS 71 HA HIS 71 -20.092 2.952 19.359 1135 HD1 HIS 71 1HD HIS 71 -23.745 5.066 20.531 1136 HD2 HIS 71 2HD HIS 71 -21.404 1.912 21.917 1137 HE1 HIS 71 1HE HIS 71 -25.351 3.414 21.531 1138 HE2 HIS 71 2HE HIS 71 -23.936 1.427 22.142 1139 HB2 HIS 71 2HB HIS 71 -20.209 4.489 21.280 1140 HB3 HIS 71 1HB HIS 71 -21.285 5.548 20.374 Start of MODEL 3 1 HA MET 1 HA MET 1 33.953 1.442 -13.965 2 H1 MET 1 1H MET 1 36.087 2.647 -13.898 3 H2 MET 1 2H MET 1 36.561 1.818 -15.301 4 H3 MET 1 3H MET 1 36.237 0.962 -13.877 5 HB2 MET 1 2HB MET 1 34.139 3.741 -14.816 6 HB3 MET 1 1HB MET 1 34.600 3.126 -16.395 7 HG2 MET 1 2HG MET 1 32.426 2.052 -16.622 8 HG3 MET 1 1HG MET 1 31.968 2.650 -15.030 9 HE1 MET 1 1HE MET 1 32.741 5.376 -18.682 10 HE2 MET 1 2HE MET 1 32.886 3.620 -18.714 11 HE3 MET 1 3HE MET 1 34.045 4.582 -17.797 12 H SER 2 H SER 2 33.987 -0.766 -14.277 13 HA SER 2 HA SER 2 33.767 -1.615 -17.074 14 HG SER 2 HG SER 2 37.134 -2.563 -16.220 15 HB2 SER 2 2HB SER 2 35.343 -3.097 -14.953 16 HB3 SER 2 1HB SER 2 35.084 -3.634 -16.612 17 H GLU 3 H GLU 3 32.298 -3.248 -17.437 18 HA GLU 3 HA GLU 3 30.306 -3.586 -15.374 19 HB2 GLU 3 2HB GLU 3 29.086 -4.813 -17.255 20 HB3 GLU 3 1HB GLU 3 29.373 -3.095 -17.482 21 HG2 GLU 3 2HG GLU 3 31.257 -3.574 -18.928 22 HG3 GLU 3 1HG GLU 3 31.045 -5.303 -18.660 23 H GLY 4 H GLY 4 30.420 -5.159 -13.993 24 HA2 GLY 4 2HA GLY 4 31.526 -7.752 -14.864 25 HA3 GLY 4 1HA GLY 4 32.037 -7.015 -13.353 26 H ALA 5 H ALA 5 30.789 -9.579 -13.772 27 HA ALA 5 HA ALA 5 28.028 -9.490 -13.121 28 HB1 ALA 5 1HB ALA 5 29.069 -11.396 -14.266 29 HB2 ALA 5 2HB ALA 5 28.225 -11.893 -12.798 30 HB3 ALA 5 3HB ALA 5 29.983 -11.766 -12.804 31 H GLU 6 H GLU 6 30.934 -9.382 -11.184 32 HA GLU 6 HA GLU 6 29.801 -10.193 -8.722 33 HB2 GLU 6 2HB GLU 6 32.061 -8.257 -9.258 34 HB3 GLU 6 1HB GLU 6 31.664 -8.929 -7.684 35 HG2 GLU 6 2HG GLU 6 32.102 -11.172 -8.569 36 HG3 GLU 6 1HG GLU 6 32.584 -10.456 -10.102 37 H GLU 7 H GLU 7 30.305 -7.016 -10.142 38 HA GLU 7 HA GLU 7 28.982 -5.504 -8.160 39 HB2 GLU 7 2HB GLU 7 30.517 -4.681 -10.005 40 HB3 GLU 7 1HB GLU 7 29.150 -4.829 -11.093 41 HG2 GLU 7 2HG GLU 7 27.905 -3.202 -9.808 42 HG3 GLU 7 1HG GLU 7 29.220 -3.092 -8.638 43 H LEU 8 H LEU 8 27.876 -7.081 -11.091 44 HA LEU 8 HA LEU 8 25.225 -6.195 -11.073 45 HG LEU 8 HG LEU 8 27.204 -6.717 -13.344 46 HB2 LEU 8 2HB LEU 8 26.527 -8.708 -12.100 47 HB3 LEU 8 1HB LEU 8 24.854 -8.330 -12.374 48 HD11 LEU 8 1HD1 LEU 8 25.206 -8.410 -14.841 49 HD12 LEU 8 2HD1 LEU 8 26.900 -8.812 -14.554 50 HD13 LEU 8 3HD1 LEU 8 26.478 -7.428 -15.564 51 HD21 LEU 8 1HD2 LEU 8 25.548 -5.381 -14.552 52 HD22 LEU 8 2HD2 LEU 8 25.316 -5.275 -12.806 53 HD23 LEU 8 3HD2 LEU 8 24.250 -6.289 -13.779 54 H LYS 9 H LYS 9 26.719 -9.103 -9.695 55 HA LYS 9 HA LYS 9 24.408 -10.174 -8.504 56 HB2 LYS 9 2HB LYS 9 26.548 -11.397 -8.833 57 HB3 LYS 9 1HB LYS 9 27.272 -10.425 -7.566 58 HG2 LYS 9 2HG LYS 9 25.648 -11.321 -5.959 59 HG3 LYS 9 1HG LYS 9 24.971 -12.336 -7.235 60 HD2 LYS 9 2HD LYS 9 27.020 -13.546 -7.449 61 HD3 LYS 9 1HD LYS 9 27.858 -12.424 -6.375 62 HE2 LYS 9 2HE LYS 9 26.366 -13.126 -4.535 63 HE3 LYS 9 1HE LYS 9 25.613 -14.294 -5.624 64 HZ1 LYS 9 1HZ LYS 9 27.365 -15.224 -4.149 65 HZ2 LYS 9 2HZ LYS 9 28.508 -14.285 -4.973 66 HZ3 LYS 9 3HZ LYS 9 27.639 -15.487 -5.800 67 H ALA 10 H ALA 10 26.907 -8.010 -7.253 68 HA ALA 10 HA ALA 10 25.962 -7.726 -4.643 69 HB1 ALA 10 1HB ALA 10 27.328 -5.636 -6.339 70 HB2 ALA 10 2HB ALA 10 28.136 -6.884 -5.389 71 HB3 ALA 10 3HB ALA 10 27.206 -5.624 -4.578 72 H LYS 11 H LYS 11 25.097 -5.941 -7.583 73 HA LYS 11 HA LYS 11 23.287 -4.143 -6.379 74 HB2 LYS 11 2HB LYS 11 24.263 -3.990 -8.707 75 HB3 LYS 11 1HB LYS 11 23.110 -5.220 -9.195 76 HG2 LYS 11 2HG LYS 11 22.337 -2.982 -9.778 77 HG3 LYS 11 1HG LYS 11 21.261 -3.753 -8.610 78 HD2 LYS 11 2HD LYS 11 22.214 -2.477 -6.810 79 HD3 LYS 11 1HD LYS 11 23.449 -1.809 -7.879 80 HE2 LYS 11 2HE LYS 11 20.480 -1.377 -8.185 81 HE3 LYS 11 1HE LYS 11 21.582 -0.243 -7.409 82 HZ1 LYS 11 1HZ LYS 11 21.508 -1.048 -10.263 83 HZ2 LYS 11 2HZ LYS 11 22.832 -0.242 -9.582 84 HZ3 LYS 11 3HZ LYS 11 21.311 0.504 -9.606 85 H LEU 12 H LEU 12 22.730 -7.263 -8.001 86 HA LEU 12 HA LEU 12 19.952 -7.405 -7.566 87 HG LEU 12 HG LEU 12 19.954 -10.556 -6.887 88 HB2 LEU 12 2HB LEU 12 21.078 -8.874 -9.131 89 HB3 LEU 12 1HB LEU 12 22.017 -9.596 -7.839 90 HD11 LEU 12 1HD1 LEU 12 18.626 -9.421 -9.348 91 HD12 LEU 12 2HD1 LEU 12 18.351 -8.909 -7.683 92 HD13 LEU 12 3HD1 LEU 12 17.885 -10.530 -8.191 93 HD21 LEU 12 1HD2 LEU 12 19.595 -12.243 -8.623 94 HD22 LEU 12 2HD2 LEU 12 21.306 -11.875 -8.416 95 HD23 LEU 12 3HD2 LEU 12 20.425 -11.214 -9.792 96 H LYS 13 H LYS 13 22.684 -8.457 -5.616 97 HA LYS 13 HA LYS 13 21.353 -9.769 -3.545 98 HB2 LYS 13 2HB LYS 13 23.845 -9.587 -3.994 99 HB3 LYS 13 1HB LYS 13 23.781 -8.007 -3.237 100 HG2 LYS 13 2HG LYS 13 23.063 -9.010 -1.143 101 HG3 LYS 13 1HG LYS 13 23.064 -10.607 -1.903 102 HD2 LYS 13 2HD LYS 13 25.476 -10.312 -2.402 103 HD3 LYS 13 1HD LYS 13 25.440 -8.794 -1.506 104 HE2 LYS 13 2HE LYS 13 24.776 -10.004 0.515 105 HE3 LYS 13 1HE LYS 13 24.808 -11.522 -0.384 106 HZ1 LYS 13 1HZ LYS 13 27.122 -9.727 0.117 107 HZ2 LYS 13 2HZ LYS 13 27.175 -11.141 -0.813 108 HZ3 LYS 13 3HZ LYS 13 26.853 -11.233 0.847 109 H LYS 14 H LYS 14 22.174 -6.347 -3.937 110 HA LYS 14 HA LYS 14 21.170 -5.377 -1.533 111 HB2 LYS 14 2HB LYS 14 22.569 -4.133 -3.210 112 HB3 LYS 14 1HB LYS 14 21.121 -3.942 -4.191 113 HG2 LYS 14 2HG LYS 14 21.541 -1.943 -2.896 114 HG3 LYS 14 1HG LYS 14 20.051 -2.724 -2.354 115 HD2 LYS 14 2HD LYS 14 21.261 -2.081 -0.409 116 HD3 LYS 14 1HD LYS 14 21.391 -3.829 -0.550 117 HE2 LYS 14 2HE LYS 14 23.547 -2.975 0.031 118 HE3 LYS 14 1HE LYS 14 23.604 -3.507 -1.650 119 HZ1 LYS 14 1HZ LYS 14 23.250 -0.704 -0.742 120 HZ2 LYS 14 2HZ LYS 14 23.345 -1.213 -2.353 121 HZ3 LYS 14 3HZ LYS 14 24.692 -1.365 -1.336 122 H LEU 15 H LEU 15 19.559 -5.632 -4.702 123 HA LEU 15 HA LEU 15 17.069 -4.627 -3.822 124 HG LEU 15 HG LEU 15 16.893 -4.337 -7.466 125 HB2 LEU 15 2HB LEU 15 17.993 -6.161 -6.206 126 HB3 LEU 15 1HB LEU 15 16.271 -6.047 -5.903 127 HD11 LEU 15 1HD1 LEU 15 15.187 -3.741 -5.835 128 HD12 LEU 15 2HD1 LEU 15 16.144 -2.333 -6.293 129 HD13 LEU 15 3HD1 LEU 15 16.429 -3.127 -4.744 130 HD21 LEU 15 1HD2 LEU 15 18.514 -2.596 -6.946 131 HD22 LEU 15 2HD2 LEU 15 19.270 -4.189 -6.935 132 HD23 LEU 15 3HD2 LEU 15 18.885 -3.385 -5.413 133 H ASN 16 H ASN 16 18.397 -7.875 -3.975 134 HA ASN 16 HA ASN 16 16.099 -9.361 -3.439 135 HB2 ASN 16 2HB ASN 16 18.391 -10.231 -4.064 136 HB3 ASN 16 1HB ASN 16 18.873 -9.973 -2.394 137 HD21 ASN 16 1HD2 ASN 16 18.750 -12.424 -3.962 138 HD22 ASN 16 2HD2 ASN 16 17.711 -13.498 -3.100 139 H ALA 17 H ALA 17 18.494 -8.072 -1.134 140 HA ALA 17 HA ALA 17 17.042 -8.863 1.176 141 HB1 ALA 17 1HB ALA 17 19.188 -6.760 0.890 142 HB2 ALA 17 2HB ALA 17 19.451 -8.469 1.230 143 HB3 ALA 17 3HB ALA 17 18.618 -7.457 2.409 144 H GLN 18 H GLN 18 17.247 -5.880 -0.677 145 HA GLN 18 HA GLN 18 15.858 -4.180 1.054 146 HB2 GLN 18 2HB GLN 18 17.166 -3.449 -0.911 147 HB3 GLN 18 1HB GLN 18 15.942 -4.131 -1.968 148 HG2 GLN 18 2HG GLN 18 14.303 -2.550 -1.116 149 HG3 GLN 18 1HG GLN 18 15.513 -1.874 -0.026 150 HE21 GLN 18 1HE2 GLN 18 17.651 -2.149 -2.005 151 HE22 GLN 18 2HE2 GLN 18 17.392 -0.894 -3.172 152 H ALA 19 H ALA 19 14.637 -6.118 -1.683 153 HA ALA 19 HA ALA 19 11.944 -5.315 -1.408 154 HB1 ALA 19 1HB ALA 19 12.856 -6.327 -3.455 155 HB2 ALA 19 2HB ALA 19 11.412 -7.161 -2.882 156 HB3 ALA 19 3HB ALA 19 13.003 -7.871 -2.612 157 H THR 20 H THR 20 13.758 -8.001 -0.027 158 HA THR 20 HA THR 20 11.506 -9.312 1.102 159 HB THR 20 HB THR 20 14.395 -9.484 1.990 160 HG1 THR 20 1HG THR 20 14.416 -10.098 -0.127 161 HG21 THR 20 1HG2 THR 20 12.113 -11.446 2.277 162 HG22 THR 20 2HG2 THR 20 12.784 -10.454 3.573 163 HG23 THR 20 3HG2 THR 20 13.777 -11.694 2.807 164 H ALA 21 H ALA 21 13.796 -6.900 2.317 165 HA ALA 21 HA ALA 21 12.942 -6.870 5.000 166 HB1 ALA 21 1HB ALA 21 15.043 -5.856 4.208 167 HB2 ALA 21 2HB ALA 21 14.074 -4.733 5.163 168 HB3 ALA 21 3HB ALA 21 14.111 -4.592 3.405 169 H LEU 22 H LEU 22 11.852 -5.055 2.169 170 HA LEU 22 HA LEU 22 9.939 -3.508 3.605 171 HG LEU 22 HG LEU 22 10.422 -1.540 0.566 172 HB2 LEU 22 2HB LEU 22 10.562 -3.989 0.738 173 HB3 LEU 22 1HB LEU 22 8.967 -3.380 1.128 174 HD11 LEU 22 1HD1 LEU 22 8.737 -1.125 2.262 175 HD12 LEU 22 2HD1 LEU 22 10.192 -0.186 2.597 176 HD13 LEU 22 3HD1 LEU 22 9.854 -1.647 3.523 177 HD21 LEU 22 1HD2 LEU 22 12.387 -0.991 1.909 178 HD22 LEU 22 2HD2 LEU 22 12.571 -2.547 1.100 179 HD23 LEU 22 3HD2 LEU 22 12.182 -2.487 2.820 180 H LYS 23 H LYS 23 9.811 -6.521 1.766 181 HA LYS 23 HA LYS 23 7.097 -7.014 1.734 182 HB2 LYS 23 2HB LYS 23 8.691 -8.471 0.619 183 HB3 LYS 23 1HB LYS 23 9.359 -8.975 2.168 184 HG2 LYS 23 2HG LYS 23 6.984 -9.803 2.691 185 HG3 LYS 23 1HG LYS 23 6.703 -9.648 0.958 186 HD2 LYS 23 2HD LYS 23 8.496 -11.189 0.481 187 HD3 LYS 23 1HD LYS 23 8.931 -11.262 2.190 188 HE2 LYS 23 2HE LYS 23 6.627 -12.157 2.635 189 HE3 LYS 23 1HE LYS 23 6.408 -12.275 0.889 190 HZ1 LYS 23 1HZ LYS 23 8.495 -13.661 2.482 191 HZ2 LYS 23 2HZ LYS 23 8.329 -13.758 0.802 192 HZ3 LYS 23 3HZ LYS 23 7.113 -14.382 1.808 193 H MET 24 H MET 24 9.395 -8.016 4.272 194 HA MET 24 HA MET 24 7.378 -9.135 5.926 195 HB2 MET 24 2HB MET 24 9.118 -9.282 7.637 196 HB3 MET 24 1HB MET 24 9.696 -9.861 6.084 197 HG2 MET 24 2HG MET 24 10.834 -7.708 5.732 198 HG3 MET 24 1HG MET 24 10.296 -7.192 7.329 199 HE1 MET 24 1HE MET 24 11.425 -10.790 6.262 200 HE2 MET 24 2HE MET 24 13.146 -10.761 6.646 201 HE3 MET 24 3HE MET 24 12.514 -9.764 5.333 202 H ASP 25 H ASP 25 8.696 -5.939 5.605 203 HA ASP 25 HA ASP 25 7.875 -4.939 8.135 204 HB2 ASP 25 2HB ASP 25 9.508 -3.959 6.271 205 HB3 ASP 25 1HB ASP 25 8.042 -3.129 5.766 206 H LEU 26 H LEU 26 6.518 -4.617 4.865 207 HA LEU 26 HA LEU 26 4.124 -3.333 5.637 208 HG LEU 26 HG LEU 26 2.252 -4.585 3.483 209 HB2 LEU 26 2HB LEU 26 5.003 -3.344 3.330 210 HB3 LEU 26 1HB LEU 26 4.670 -5.063 3.217 211 HD11 LEU 26 1HD1 LEU 26 3.119 -1.702 3.297 212 HD12 LEU 26 2HD1 LEU 26 2.430 -2.488 4.717 213 HD13 LEU 26 3HD1 LEU 26 1.456 -2.288 3.261 214 HD21 LEU 26 1HD2 LEU 26 1.940 -3.621 1.246 215 HD22 LEU 26 2HD2 LEU 26 3.208 -4.849 1.272 216 HD23 LEU 26 3HD2 LEU 26 3.637 -3.139 1.232 217 H HIS 27 H HIS 27 5.055 -6.694 5.319 218 HA HIS 27 HA HIS 27 2.598 -7.957 5.456 219 HD1 HIS 27 1HD HIS 27 4.685 -10.141 8.625 220 HD2 HIS 27 2HD HIS 27 2.486 -11.176 5.240 221 HE1 HIS 27 1HE HIS 27 3.448 -12.248 9.224 222 HE2 HIS 27 2HE HIS 27 1.953 -12.717 7.246 223 HB2 HIS 27 2HB HIS 27 4.577 -9.240 5.036 224 HB3 HIS 27 1HB HIS 27 5.283 -8.769 6.577 225 H ASP 28 H ASP 28 4.738 -7.182 8.211 226 HA ASP 28 HA ASP 28 2.822 -8.077 10.117 227 HB2 ASP 28 2HB ASP 28 5.437 -6.620 10.328 228 HB3 ASP 28 1HB ASP 28 4.422 -6.865 11.745 229 H LEU 29 H LEU 29 3.480 -5.012 8.624 230 HA LEU 29 HA LEU 29 2.053 -3.369 10.433 231 HG LEU 29 HG LEU 29 0.806 -1.412 8.450 232 HB2 LEU 29 2HB LEU 29 3.605 -2.519 8.701 233 HB3 LEU 29 1HB LEU 29 2.465 -3.004 7.463 234 HD11 LEU 29 1HD1 LEU 29 1.684 -1.270 10.702 235 HD12 LEU 29 2HD1 LEU 29 1.660 0.333 9.961 236 HD13 LEU 29 3HD1 LEU 29 3.178 -0.553 10.098 237 HD21 LEU 29 1HD2 LEU 29 1.880 0.595 7.551 238 HD22 LEU 29 2HD2 LEU 29 2.120 -0.802 6.501 239 HD23 LEU 29 3HD2 LEU 29 3.431 -0.245 7.542 240 H ALA 30 H ALA 30 1.103 -5.073 7.470 241 HA ALA 30 HA ALA 30 -1.651 -4.300 7.662 242 HB1 ALA 30 1HB ALA 30 -0.623 -4.813 5.508 243 HB2 ALA 30 2HB ALA 30 -2.011 -5.855 5.817 244 HB3 ALA 30 3HB ALA 30 -0.374 -6.483 6.017 245 H GLU 31 H GLU 31 0.274 -6.944 8.860 246 HA GLU 31 HA GLU 31 -1.700 -8.819 9.445 247 HB2 GLU 31 2HB GLU 31 1.002 -8.190 10.479 248 HB3 GLU 31 1HB GLU 31 -0.018 -9.176 11.515 249 HG2 GLU 31 2HG GLU 31 0.543 -9.813 8.635 250 HG3 GLU 31 1HG GLU 31 1.493 -10.439 9.983 251 H ASP 32 H ASP 32 -0.508 -6.112 11.423 252 HA ASP 32 HA ASP 32 -3.044 -6.318 12.899 253 HB2 ASP 32 2HB ASP 32 -1.018 -6.689 14.328 254 HB3 ASP 32 1HB ASP 32 -0.502 -5.048 13.940 255 H LEU 33 H LEU 33 -3.905 -5.183 11.120 256 HA LEU 33 HA LEU 33 -3.074 -2.602 10.414 257 HG LEU 33 HG LEU 33 -3.278 -3.776 8.167 258 HB2 LEU 33 2HB LEU 33 -5.176 -4.400 9.588 259 HB3 LEU 33 1HB LEU 33 -5.713 -2.724 9.616 260 HD11 LEU 33 1HD1 LEU 33 -5.319 -4.420 7.051 261 HD12 LEU 33 2HD1 LEU 33 -4.499 -3.155 6.137 262 HD13 LEU 33 3HD1 LEU 33 -5.909 -2.760 7.120 263 HD21 LEU 33 1HD2 LEU 33 -2.909 -1.499 9.012 264 HD22 LEU 33 2HD2 LEU 33 -4.410 -0.974 8.249 265 HD23 LEU 33 3HD2 LEU 33 -3.061 -1.517 7.255 266 HA PRO 34 HA PRO 34 -4.407 0.987 11.171 267 HB2 PRO 34 2HB PRO 34 -6.320 0.257 13.372 268 HB3 PRO 34 1HB PRO 34 -6.152 1.797 12.507 269 HG2 PRO 34 2HG PRO 34 -7.850 -0.302 11.751 270 HG3 PRO 34 1HG PRO 34 -7.335 1.034 10.707 271 HD2 PRO 34 2HD PRO 34 -6.707 -1.678 10.311 272 HD3 PRO 34 1HD PRO 34 -5.854 -0.307 9.559 273 H THR 35 H THR 35 -2.690 1.459 11.779 274 HA THR 35 HA THR 35 -1.712 2.359 14.034 275 HB THR 35 HB THR 35 0.146 0.558 14.522 276 HG1 THR 35 1HG THR 35 -2.009 -1.171 13.841 277 HG21 THR 35 1HG2 THR 35 -1.387 1.423 16.215 278 HG22 THR 35 2HG2 THR 35 -1.105 -0.304 16.432 279 HG23 THR 35 3HG2 THR 35 -2.610 0.259 15.708 280 H GLY 36 H GLY 36 0.056 3.518 13.338 281 HA2 GLY 36 2HA GLY 36 1.450 4.407 11.731 282 HA3 GLY 36 1HA GLY 36 2.016 2.760 11.542 283 H TRP 37 H TRP 37 -1.313 3.221 10.793 284 HA TRP 37 HA TRP 37 -1.054 2.306 8.176 285 HD1 TRP 37 HD TRP 37 -4.544 4.971 7.538 286 HE1 TRP 37 1HE TRP 37 -5.507 6.793 9.076 287 HE3 TRP 37 3HE TRP 37 -2.662 3.350 12.018 288 HZ2 TRP 37 2HZ TRP 37 -5.472 7.461 11.812 289 HZ3 TRP 37 3HZ TRP 37 -3.180 4.642 14.047 290 HH2 TRP 37 HH TRP 37 -4.555 6.656 13.944 291 HB2 TRP 37 2HB TRP 37 -3.402 2.669 7.949 292 HB3 TRP 37 1HB TRP 37 -3.108 2.183 9.613 293 H ASN 38 H ASN 38 -0.654 5.470 9.418 294 HA ASN 38 HA ASN 38 -1.281 6.960 7.089 295 HB2 ASN 38 2HB ASN 38 -0.946 7.780 9.516 296 HB3 ASN 38 1HB ASN 38 0.771 7.770 9.139 297 HD21 ASN 38 1HD2 ASN 38 -1.012 9.951 9.850 298 HD22 ASN 38 2HD2 ASN 38 -0.876 11.112 8.565 299 H ARG 39 H ARG 39 1.343 4.986 8.030 300 HA ARG 39 HA ARG 39 3.208 6.165 6.109 301 HE ARG 39 HE ARG 39 7.905 4.494 7.027 302 HB2 ARG 39 2HB ARG 39 3.895 5.652 8.455 303 HB3 ARG 39 1HB ARG 39 3.618 3.950 8.128 304 HG2 ARG 39 2HG ARG 39 5.395 3.944 6.488 305 HG3 ARG 39 1HG ARG 39 5.642 5.680 6.723 306 HD2 ARG 39 2HD ARG 39 6.275 5.323 9.019 307 HD3 ARG 39 1HD ARG 39 5.889 3.608 8.895 308 HH11 ARG 39 1HH1 ARG 39 7.262 3.349 10.275 309 HH12 ARG 39 2HH1 ARG 39 8.845 2.660 10.490 310 HH21 ARG 39 1HH2 ARG 39 10.030 3.651 7.341 311 HH22 ARG 39 2HH2 ARG 39 10.426 2.890 8.856 312 H ILE 40 H ILE 40 0.757 4.065 5.918 313 HA ILE 40 HA ILE 40 1.720 1.716 4.787 314 HB ILE 40 HB ILE 40 -0.858 3.211 4.442 315 HG12 ILE 40 2HG1 ILE 40 -0.135 0.539 5.660 316 HG13 ILE 40 1HG1 ILE 40 -0.462 2.026 6.546 317 HG21 ILE 40 1HG2 ILE 40 -0.208 0.584 3.112 318 HG22 ILE 40 2HG2 ILE 40 -0.426 2.128 2.288 319 HG23 ILE 40 3HG2 ILE 40 -1.781 1.384 3.138 320 HD11 ILE 40 1HD1 ILE 40 -2.762 2.002 5.742 321 HD12 ILE 40 2HD1 ILE 40 -2.364 0.514 6.600 322 HD13 ILE 40 3HD1 ILE 40 -2.436 0.522 4.839 323 H MET 41 H MET 41 1.014 4.818 3.225 324 HA MET 41 HA MET 41 1.323 4.037 0.568 325 HB2 MET 41 2HB MET 41 1.892 6.683 1.907 326 HB3 MET 41 1HB MET 41 1.961 6.456 0.165 327 HG2 MET 41 2HG MET 41 -0.516 5.680 1.618 328 HG3 MET 41 1HG MET 41 -0.188 7.387 1.346 329 HE1 MET 41 1HE MET 41 -0.895 4.274 -1.999 330 HE2 MET 41 2HE MET 41 -0.939 3.916 -0.273 331 HE3 MET 41 3HE MET 41 0.600 4.257 -1.067 332 H GLU 42 H GLU 42 3.731 5.216 2.872 333 HA GLU 42 HA GLU 42 5.921 5.336 1.140 334 HB2 GLU 42 2HB GLU 42 5.891 6.340 3.383 335 HB3 GLU 42 1HB GLU 42 5.867 4.741 4.104 336 HG2 GLU 42 2HG GLU 42 8.067 4.275 3.145 337 HG3 GLU 42 1HG GLU 42 8.090 5.888 2.434 338 H VAL 43 H VAL 43 5.099 2.822 3.501 339 HA VAL 43 HA VAL 43 7.131 1.042 2.818 340 HB VAL 43 HB VAL 43 4.420 0.251 3.901 341 HG11 VAL 43 1HG1 VAL 43 5.815 -1.619 3.187 342 HG12 VAL 43 2HG1 VAL 43 5.661 -1.580 4.945 343 HG13 VAL 43 3HG1 VAL 43 7.144 -1.013 4.175 344 HG21 VAL 43 1HG2 VAL 43 6.870 1.174 5.396 345 HG22 VAL 43 2HG2 VAL 43 5.376 0.581 6.124 346 HG23 VAL 43 3HG2 VAL 43 5.379 2.089 5.207 347 H ALA 44 H ALA 44 3.784 1.206 1.627 348 HA ALA 44 HA ALA 44 3.901 -1.103 0.023 349 HB1 ALA 44 1HB ALA 44 1.905 -0.232 -1.076 350 HB2 ALA 44 2HB ALA 44 2.175 1.345 -0.333 351 HB3 ALA 44 3HB ALA 44 1.797 -0.051 0.676 352 H GLU 45 H GLU 45 4.564 2.304 -0.710 353 HA GLU 45 HA GLU 45 5.004 1.957 -3.478 354 HB2 GLU 45 2HB GLU 45 4.623 4.144 -2.339 355 HB3 GLU 45 1HB GLU 45 6.233 4.022 -1.647 356 HG2 GLU 45 2HG GLU 45 7.167 3.993 -3.931 357 HG3 GLU 45 1HG GLU 45 5.541 4.244 -4.566 358 H LYS 46 H LYS 46 7.214 2.039 -0.713 359 HA LYS 46 HA LYS 46 9.599 1.692 -2.146 360 HB2 LYS 46 2HB LYS 46 8.749 1.556 0.648 361 HB3 LYS 46 1HB LYS 46 10.073 0.465 0.278 362 HG2 LYS 46 2HG LYS 46 11.107 2.410 1.015 363 HG3 LYS 46 1HG LYS 46 11.239 2.491 -0.738 364 HD2 LYS 46 2HD LYS 46 9.014 3.850 0.764 365 HD3 LYS 46 1HD LYS 46 10.576 4.624 0.512 366 HE2 LYS 46 2HE LYS 46 10.219 4.160 -1.967 367 HE3 LYS 46 1HE LYS 46 8.552 3.784 -1.546 368 HZ1 LYS 46 1HZ LYS 46 9.958 6.373 -1.198 369 HZ2 LYS 46 2HZ LYS 46 8.440 6.045 -0.517 370 HZ3 LYS 46 3HZ LYS 46 8.628 6.047 -2.205 371 H THR 47 H THR 47 7.371 -0.677 -0.735 372 HA THR 47 HA THR 47 8.908 -2.975 -1.187 373 HB THR 47 HB THR 47 5.893 -2.746 -1.174 374 HG1 THR 47 1HG THR 47 6.696 -1.970 0.767 375 HG21 THR 47 1HG2 THR 47 7.689 -5.118 -0.651 376 HG22 THR 47 2HG2 THR 47 6.679 -4.882 -2.076 377 HG23 THR 47 3HG2 THR 47 5.933 -5.100 -0.491 378 H TYR 48 H TYR 48 6.379 -1.476 -3.213 379 HA TYR 48 HA TYR 48 6.521 -3.448 -5.239 380 HD1 TYR 48 1HD TYR 48 4.274 -3.872 -6.679 381 HD2 TYR 48 2HD TYR 48 5.770 -0.026 -7.728 382 HE1 TYR 48 1HE TYR 48 3.726 -4.307 -9.036 383 HE2 TYR 48 2HE TYR 48 5.221 -0.451 -10.091 384 HH TYR 48 HH TYR 48 3.233 -3.019 -11.085 385 HB2 TYR 48 2HB TYR 48 4.565 -1.982 -4.977 386 HB3 TYR 48 1HB TYR 48 5.541 -0.595 -5.454 387 H GLU 49 H GLU 49 8.055 -0.272 -4.885 388 HA GLU 49 HA GLU 49 9.293 -0.146 -7.384 389 HB2 GLU 49 2HB GLU 49 9.224 1.752 -5.824 390 HB3 GLU 49 1HB GLU 49 10.325 0.911 -4.742 391 HG2 GLU 49 2HG GLU 49 12.024 0.914 -6.536 392 HG3 GLU 49 1HG GLU 49 10.925 1.873 -7.527 393 H ALA 50 H ALA 50 10.634 -1.326 -4.307 394 HA ALA 50 HA ALA 50 13.119 -2.140 -5.286 395 HB1 ALA 50 1HB ALA 50 12.603 -1.870 -2.907 396 HB2 ALA 50 2HB ALA 50 13.309 -3.453 -3.242 397 HB3 ALA 50 3HB ALA 50 11.572 -3.299 -2.970 398 H TYR 51 H TYR 51 10.090 -3.957 -4.938 399 HA TYR 51 HA TYR 51 11.193 -6.441 -5.724 400 HD1 TYR 51 1HD TYR 51 9.742 -8.230 -3.849 401 HD2 TYR 51 2HD TYR 51 7.955 -7.527 -7.647 402 HE1 TYR 51 1HE TYR 51 9.412 -10.648 -4.133 403 HE2 TYR 51 2HE TYR 51 7.619 -9.946 -7.941 404 HH TYR 51 HH TYR 51 8.526 -12.065 -7.104 405 HB2 TYR 51 2HB TYR 51 8.976 -6.002 -4.488 406 HB3 TYR 51 1HB TYR 51 8.295 -5.709 -6.086 407 H ARG 52 H ARG 52 9.525 -3.878 -7.512 408 HA ARG 52 HA ARG 52 9.464 -5.234 -9.994 409 HE ARG 52 HE ARG 52 9.113 -1.698 -13.711 410 HB2 ARG 52 2HB ARG 52 8.068 -3.273 -9.634 411 HB3 ARG 52 1HB ARG 52 9.494 -2.266 -9.410 412 HG2 ARG 52 2HG ARG 52 10.145 -2.576 -11.696 413 HG3 ARG 52 1HG ARG 52 8.843 -3.735 -11.950 414 HD2 ARG 52 2HD ARG 52 7.194 -1.980 -11.571 415 HD3 ARG 52 1HD ARG 52 8.488 -0.820 -11.263 416 HH11 ARG 52 1HH1 ARG 52 6.079 -0.569 -12.380 417 HH12 ARG 52 2HH1 ARG 52 5.489 0.031 -13.901 418 HH21 ARG 52 1HH2 ARG 52 8.347 -0.900 -15.703 419 HH22 ARG 52 2HH2 ARG 52 6.785 -0.153 -15.783 420 H GLN 53 H GLN 53 11.717 -2.837 -8.674 421 HA GLN 53 HA GLN 53 13.544 -2.704 -10.769 422 HB2 GLN 53 2HB GLN 53 13.480 -1.289 -8.679 423 HB3 GLN 53 1HB GLN 53 14.224 -2.627 -7.820 424 HG2 GLN 53 2HG GLN 53 15.953 -1.130 -8.334 425 HG3 GLN 53 1HG GLN 53 16.123 -2.476 -9.460 426 HE21 GLN 53 1HE2 GLN 53 15.244 0.860 -9.091 427 HE22 GLN 53 2HE2 GLN 53 15.276 1.266 -10.769 428 H LEU 54 H LEU 54 13.347 -5.039 -8.108 429 HA LEU 54 HA LEU 54 15.694 -6.477 -8.663 430 HG LEU 54 HG LEU 54 15.952 -8.493 -7.217 431 HB2 LEU 54 2HB LEU 54 14.248 -6.651 -6.608 432 HB3 LEU 54 1HB LEU 54 13.105 -7.577 -7.556 433 HD11 LEU 54 1HD1 LEU 54 15.161 -9.885 -5.360 434 HD12 LEU 54 2HD1 LEU 54 13.599 -9.073 -5.425 435 HD13 LEU 54 3HD1 LEU 54 15.046 -8.165 -4.989 436 HD21 LEU 54 1HD2 LEU 54 13.377 -9.962 -7.788 437 HD22 LEU 54 2HD2 LEU 54 14.975 -10.692 -7.643 438 HD23 LEU 54 3HD2 LEU 54 14.631 -9.581 -8.968 439 H ASP 55 H ASP 55 12.349 -7.003 -9.724 440 HA ASP 55 HA ASP 55 12.894 -9.238 -11.365 441 HB2 ASP 55 2HB ASP 55 10.648 -8.780 -10.551 442 HB3 ASP 55 1HB ASP 55 10.610 -7.254 -11.428 443 H GLU 56 H GLU 56 12.919 -5.790 -11.938 444 HA GLU 56 HA GLU 56 13.241 -5.915 -14.767 445 HB2 GLU 56 2HB GLU 56 13.803 -3.767 -12.723 446 HB3 GLU 56 1HB GLU 56 14.033 -3.517 -14.443 447 HG2 GLU 56 2HG GLU 56 11.441 -4.233 -13.095 448 HG3 GLU 56 1HG GLU 56 11.896 -2.635 -13.684 449 H PHE 57 H PHE 57 15.507 -5.760 -12.050 450 HA PHE 57 HA PHE 57 17.832 -5.740 -13.671 451 HD1 PHE 57 1HD PHE 57 19.951 -4.467 -12.154 452 HD2 PHE 57 2HD PHE 57 19.306 -8.542 -11.105 453 HE1 PHE 57 1HE PHE 57 22.376 -4.870 -12.235 454 HE2 PHE 57 2HE PHE 57 21.730 -8.952 -11.190 455 HZ PHE 57 HZ PHE 57 23.267 -7.113 -11.755 456 HB2 PHE 57 2HB PHE 57 17.825 -5.219 -11.222 457 HB3 PHE 57 1HB PHE 57 17.540 -6.929 -10.901 458 H ARG 58 H ARG 58 15.732 -8.254 -12.405 459 HA ARG 58 HA ARG 58 17.192 -10.488 -13.218 460 HE ARG 58 HE ARG 58 14.972 -13.518 -11.894 461 HB2 ARG 58 2HB ARG 58 15.474 -11.110 -11.867 462 HB3 ARG 58 1HB ARG 58 14.377 -9.901 -12.519 463 HG2 ARG 58 2HG ARG 58 13.938 -11.254 -14.443 464 HG3 ARG 58 1HG ARG 58 15.166 -12.424 -13.951 465 HD2 ARG 58 2HD ARG 58 12.898 -11.757 -12.128 466 HD3 ARG 58 1HD ARG 58 12.668 -12.890 -13.453 467 HH11 ARG 58 1HH1 ARG 58 11.472 -13.815 -11.968 468 HH12 ARG 58 2HH1 ARG 58 11.466 -15.252 -10.980 469 HH21 ARG 58 1HH2 ARG 58 14.954 -15.374 -10.622 470 HH22 ARG 58 2HH2 ARG 58 13.445 -16.143 -10.218 471 H LYS 59 H LYS 59 14.781 -8.528 -14.976 472 HA LYS 59 HA LYS 59 14.708 -9.933 -17.374 473 HB2 LYS 59 2HB LYS 59 14.826 -6.916 -17.156 474 HB3 LYS 59 1HB LYS 59 14.147 -7.847 -18.479 475 HG2 LYS 59 2HG LYS 59 13.058 -7.658 -15.680 476 HG3 LYS 59 1HG LYS 59 12.403 -6.883 -17.121 477 HD2 LYS 59 2HD LYS 59 12.408 -9.434 -17.951 478 HD3 LYS 59 1HD LYS 59 12.212 -9.689 -16.215 479 HE2 LYS 59 2HE LYS 59 10.439 -8.147 -18.091 480 HE3 LYS 59 1HE LYS 59 10.029 -9.546 -17.101 481 HZ1 LYS 59 1HZ LYS 59 10.201 -8.206 -15.125 482 HZ2 LYS 59 2HZ LYS 59 9.163 -7.432 -16.223 483 HZ3 LYS 59 3HZ LYS 59 10.746 -6.869 -16.020 484 H SER 60 H SER 60 16.928 -7.411 -16.322 485 HA SER 60 HA SER 60 18.520 -7.319 -18.626 486 HG SER 60 HG SER 60 17.531 -5.431 -16.307 487 HB2 SER 60 2HB SER 60 19.314 -6.657 -15.789 488 HB3 SER 60 1HB SER 60 20.121 -6.095 -17.253 489 H THR 61 H THR 61 19.113 -9.028 -15.552 490 HA THR 61 HA THR 61 21.591 -10.100 -16.444 491 HB THR 61 HB THR 61 21.053 -9.772 -14.038 492 HG1 THR 61 1HG THR 61 21.619 -12.522 -14.376 493 HG21 THR 61 1HG2 THR 61 18.759 -10.616 -14.040 494 HG22 THR 61 2HG2 THR 61 19.751 -11.458 -12.850 495 HG23 THR 61 3HG2 THR 61 19.352 -12.240 -14.381 496 H ALA 62 H ALA 62 18.280 -11.265 -16.603 497 HA ALA 62 HA ALA 62 18.819 -13.963 -17.185 498 HB1 ALA 62 1HB ALA 62 16.582 -14.043 -18.139 499 HB2 ALA 62 2HB ALA 62 16.520 -12.282 -18.186 500 HB3 ALA 62 3HB ALA 62 16.577 -13.119 -16.637 501 H SER 63 H SER 63 18.462 -11.138 -19.290 502 HA SER 63 HA SER 63 18.866 -12.500 -21.727 503 HG SER 63 HG SER 63 18.139 -10.460 -23.412 504 HB2 SER 63 2HB SER 63 17.961 -10.115 -21.323 505 HB3 SER 63 1HB SER 63 19.652 -9.628 -21.231 506 H LEU 64 H LEU 64 21.053 -11.015 -19.407 507 HA LEU 64 HA LEU 64 23.421 -11.219 -20.952 508 HG LEU 64 HG LEU 64 25.144 -9.576 -18.094 509 HB2 LEU 64 2HB LEU 64 22.894 -9.805 -18.847 510 HB3 LEU 64 1HB LEU 64 23.316 -11.243 -17.947 511 HD11 LEU 64 1HD1 LEU 64 26.925 -11.135 -18.701 512 HD12 LEU 64 2HD1 LEU 64 25.730 -12.209 -19.429 513 HD13 LEU 64 3HD1 LEU 64 25.697 -11.899 -17.693 514 HD21 LEU 64 1HD2 LEU 64 25.124 -10.268 -21.023 515 HD22 LEU 64 2HD2 LEU 64 26.347 -9.299 -20.201 516 HD23 LEU 64 3HD2 LEU 64 24.688 -8.712 -20.313 517 H GLU 65 H GLU 65 21.999 -13.253 -18.431 518 HA GLU 65 HA GLU 65 24.076 -15.166 -18.378 519 HB2 GLU 65 2HB GLU 65 21.241 -15.124 -17.408 520 HB3 GLU 65 1HB GLU 65 22.249 -16.535 -17.232 521 HG2 GLU 65 2HG GLU 65 23.817 -15.263 -15.868 522 HG3 GLU 65 1HG GLU 65 22.810 -13.826 -16.068 523 H HIS 66 H HIS 66 21.647 -14.614 -20.624 524 HA HIS 66 HA HIS 66 20.596 -15.808 -22.263 525 HD1 HIS 66 1HD HIS 66 22.376 -19.975 -23.126 526 HD2 HIS 66 2HD HIS 66 20.441 -16.649 -24.711 527 HE1 HIS 66 1HE HIS 66 21.239 -20.782 -25.223 528 HE2 HIS 66 2HE HIS 66 20.212 -18.721 -26.251 529 HB2 HIS 66 2HB HIS 66 22.932 -16.636 -22.731 530 HB3 HIS 66 1HB HIS 66 22.609 -17.999 -21.672 531 H HIS 67 H HIS 67 19.942 -15.853 -19.485 532 HA HIS 67 HA HIS 67 19.015 -18.529 -18.795 533 HD1 HIS 67 1HD HIS 67 20.275 -17.544 -14.861 534 HD2 HIS 67 2HD HIS 67 16.745 -18.698 -16.746 535 HE1 HIS 67 1HE HIS 67 19.118 -19.100 -13.254 536 HE2 HIS 67 2HE HIS 67 16.927 -19.678 -14.353 537 HB2 HIS 67 2HB HIS 67 20.168 -16.794 -17.240 538 HB3 HIS 67 1HB HIS 67 18.608 -15.988 -17.218 539 H HIS 68 H HIS 68 17.095 -19.116 -19.660 540 HA HIS 68 HA HIS 68 15.023 -17.029 -19.886 541 HD1 HIS 68 1HD HIS 68 17.519 -19.241 -22.706 542 HD2 HIS 68 2HD HIS 68 14.121 -21.233 -21.377 543 HE1 HIS 68 1HE HIS 68 17.944 -21.676 -23.157 544 HE2 HIS 68 2HE HIS 68 15.780 -22.822 -22.569 545 HB2 HIS 68 2HB HIS 68 14.072 -18.384 -21.766 546 HB3 HIS 68 1HB HIS 68 15.648 -17.678 -22.096 547 H HIS 69 H HIS 69 12.783 -18.009 -20.053 548 HA HIS 69 HA HIS 69 11.032 -19.084 -19.139 549 HD1 HIS 69 1HD HIS 69 9.364 -21.112 -19.370 550 HD2 HIS 69 2HD HIS 69 11.752 -22.621 -16.310 551 HE1 HIS 69 1HE HIS 69 7.823 -22.454 -17.900 552 HE2 HIS 69 2HE HIS 69 9.301 -23.442 -16.113 553 HB2 HIS 69 2HB HIS 69 12.134 -21.192 -19.763 554 HB3 HIS 69 1HB HIS 69 13.008 -21.182 -18.234 555 H HIS 70 H HIS 70 10.314 -17.739 -17.651 556 HA HIS 70 HA HIS 70 11.543 -17.723 -14.986 557 HD1 HIS 70 1HD HIS 70 7.916 -15.069 -14.282 558 HD2 HIS 70 2HD HIS 70 8.763 -16.388 -18.141 559 HE1 HIS 70 1HE HIS 70 5.775 -14.818 -15.576 560 HE2 HIS 70 2HE HIS 70 6.295 -15.657 -17.895 561 HB2 HIS 70 2HB HIS 70 10.281 -15.750 -14.520 562 HB3 HIS 70 1HB HIS 70 10.906 -15.554 -16.151 563 H HIS 71 H HIS 71 10.189 -18.031 -13.087 564 HA HIS 71 HA HIS 71 7.530 -19.083 -13.426 565 HD1 HIS 71 1HD HIS 71 8.139 -22.047 -10.421 566 HD2 HIS 71 2HD HIS 71 6.267 -21.679 -14.119 567 HE1 HIS 71 1HE HIS 71 6.025 -23.397 -10.253 568 HE2 HIS 71 2HE HIS 71 4.810 -22.980 -12.419 569 HB2 HIS 71 2HB HIS 71 9.102 -21.062 -13.799 570 HB3 HIS 71 1HB HIS 71 9.573 -20.886 -12.112 571 HA MET 1 HA MET 1 -28.624 23.175 9.051 572 H1 MET 1 1H MET 1 -30.458 21.562 8.700 573 H2 MET 1 2H MET 1 -29.479 20.760 7.567 574 H3 MET 1 3H MET 1 -29.949 22.359 7.298 575 HB2 MET 1 2HB MET 1 -29.121 21.080 10.464 576 HB3 MET 1 1HB MET 1 -27.765 20.339 9.628 577 HG2 MET 1 2HG MET 1 -26.272 22.048 10.489 578 HG3 MET 1 1HG MET 1 -27.624 22.847 11.290 579 HE1 MET 1 1HE MET 1 -26.466 22.837 13.638 580 HE2 MET 1 2HE MET 1 -25.027 22.140 12.891 581 HE3 MET 1 3HE MET 1 -25.705 21.414 14.349 582 H SER 2 H SER 2 -26.116 23.150 9.050 583 HA SER 2 HA SER 2 -25.239 23.085 6.350 584 HG SER 2 HG SER 2 -22.857 22.956 9.366 585 HB2 SER 2 2HB SER 2 -23.029 23.672 7.386 586 HB3 SER 2 1HB SER 2 -24.363 24.712 7.869 587 H GLU 3 H GLU 3 -25.482 20.800 8.683 588 HA GLU 3 HA GLU 3 -24.397 18.777 6.946 589 HB2 GLU 3 2HB GLU 3 -23.117 19.479 9.534 590 HB3 GLU 3 1HB GLU 3 -23.335 17.768 9.201 591 HG2 GLU 3 2HG GLU 3 -21.954 19.686 7.341 592 HG3 GLU 3 1HG GLU 3 -21.124 18.680 8.527 593 H GLY 4 H GLY 4 -25.397 16.794 7.264 594 HA2 GLY 4 2HA GLY 4 -27.657 16.909 9.153 595 HA3 GLY 4 1HA GLY 4 -27.731 16.134 7.578 596 H ALA 5 H ALA 5 -28.176 15.145 10.360 597 HA ALA 5 HA ALA 5 -26.069 13.383 11.044 598 HB1 ALA 5 1HB ALA 5 -28.990 13.230 11.767 599 HB2 ALA 5 2HB ALA 5 -27.745 14.096 12.666 600 HB3 ALA 5 3HB ALA 5 -27.685 12.338 12.547 601 H GLU 6 H GLU 6 -28.828 13.127 8.926 602 HA GLU 6 HA GLU 6 -28.697 10.301 8.581 603 HB2 GLU 6 2HB GLU 6 -29.850 12.317 6.650 604 HB3 GLU 6 1HB GLU 6 -30.280 10.617 6.809 605 HG2 GLU 6 2HG GLU 6 -31.170 11.073 9.045 606 HG3 GLU 6 1HG GLU 6 -30.785 12.779 8.836 607 H GLU 7 H GLU 7 -27.643 13.077 6.665 608 HA GLU 7 HA GLU 7 -26.189 11.795 4.675 609 HB2 GLU 7 2HB GLU 7 -26.581 14.234 4.784 610 HB3 GLU 7 1HB GLU 7 -25.489 14.346 6.152 611 HG2 GLU 7 2HG GLU 7 -24.283 15.076 4.270 612 HG3 GLU 7 1HG GLU 7 -23.681 13.462 4.651 613 H LEU 8 H LEU 8 -25.163 12.833 7.888 614 HA LEU 8 HA LEU 8 -22.516 12.018 7.833 615 HG LEU 8 HG LEU 8 -21.466 12.944 9.758 616 HB2 LEU 8 2HB LEU 8 -23.955 13.367 9.562 617 HB3 LEU 8 1HB LEU 8 -24.183 11.800 10.309 618 HD11 LEU 8 1HD1 LEU 8 -21.438 13.653 12.115 619 HD12 LEU 8 2HD1 LEU 8 -23.139 13.209 12.254 620 HD13 LEU 8 3HD1 LEU 8 -22.654 14.515 11.173 621 HD21 LEU 8 1HD2 LEU 8 -21.568 10.532 10.165 622 HD22 LEU 8 2HD2 LEU 8 -22.424 10.822 11.680 623 HD23 LEU 8 3HD2 LEU 8 -20.759 11.371 11.488 624 H LYS 9 H LYS 9 -25.374 10.246 8.990 625 HA LYS 9 HA LYS 9 -23.959 7.959 9.855 626 HB2 LYS 9 2HB LYS 9 -26.436 8.839 10.254 627 HB3 LYS 9 1HB LYS 9 -26.769 7.677 8.975 628 HG2 LYS 9 2HG LYS 9 -25.869 5.893 10.244 629 HG3 LYS 9 1HG LYS 9 -25.207 7.002 11.445 630 HD2 LYS 9 2HD LYS 9 -27.630 7.733 11.819 631 HD3 LYS 9 1HD LYS 9 -28.063 6.258 10.948 632 HE2 LYS 9 2HE LYS 9 -28.049 5.850 13.317 633 HE3 LYS 9 1HE LYS 9 -26.755 4.944 12.552 634 HZ1 LYS 9 1HZ LYS 9 -25.176 6.554 13.323 635 HZ2 LYS 9 2HZ LYS 9 -26.108 6.049 14.649 636 HZ3 LYS 9 3HZ LYS 9 -26.404 7.553 13.930 637 H ALA 10 H ALA 10 -25.732 8.634 6.847 638 HA ALA 10 HA ALA 10 -25.305 6.071 5.714 639 HB1 ALA 10 1HB ALA 10 -25.848 8.695 4.331 640 HB2 ALA 10 2HB ALA 10 -27.067 7.568 4.932 641 HB3 ALA 10 3HB ALA 10 -26.000 7.092 3.612 642 H LYS 11 H LYS 11 -23.519 9.094 5.610 643 HA LYS 11 HA LYS 11 -21.637 8.276 3.639 644 HB2 LYS 11 2HB LYS 11 -22.227 10.650 4.399 645 HB3 LYS 11 1HB LYS 11 -21.181 10.355 5.776 646 HG2 LYS 11 2HG LYS 11 -19.260 10.171 4.384 647 HG3 LYS 11 1HG LYS 11 -20.254 10.145 2.922 648 HD2 LYS 11 2HD LYS 11 -21.028 12.428 3.431 649 HD3 LYS 11 1HD LYS 11 -19.983 12.451 4.852 650 HE2 LYS 11 2HE LYS 11 -18.022 12.278 3.464 651 HE3 LYS 11 1HE LYS 11 -19.014 12.085 2.017 652 HZ1 LYS 11 1HZ LYS 11 -19.813 14.312 2.252 653 HZ2 LYS 11 2HZ LYS 11 -18.120 14.364 2.340 654 HZ3 LYS 11 3HZ LYS 11 -19.051 14.499 3.754 655 H LEU 12 H LEU 12 -21.576 8.389 7.185 656 HA LEU 12 HA LEU 12 -18.994 7.338 7.536 657 HG LEU 12 HG LEU 12 -19.587 5.569 10.049 658 HB2 LEU 12 2HB LEU 12 -20.304 8.412 9.320 659 HB3 LEU 12 1HB LEU 12 -21.422 7.063 9.312 660 HD11 LEU 12 1HD1 LEU 12 -17.696 6.799 9.151 661 HD12 LEU 12 2HD1 LEU 12 -17.514 6.575 10.890 662 HD13 LEU 12 3HD1 LEU 12 -18.019 8.139 10.251 663 HD21 LEU 12 1HD2 LEU 12 -19.483 6.414 12.343 664 HD22 LEU 12 2HD2 LEU 12 -21.107 6.560 11.670 665 HD23 LEU 12 3HD2 LEU 12 -20.072 7.982 11.792 666 H LYS 13 H LYS 13 -22.155 5.768 7.285 667 HA LYS 13 HA LYS 13 -21.386 3.106 7.643 668 HB2 LYS 13 2HB LYS 13 -23.727 3.886 7.472 669 HB3 LYS 13 1HB LYS 13 -23.490 4.201 5.763 670 HG2 LYS 13 2HG LYS 13 -24.650 2.146 5.956 671 HG3 LYS 13 1HG LYS 13 -22.998 1.775 5.458 672 HD2 LYS 13 2HD LYS 13 -22.441 1.244 7.806 673 HD3 LYS 13 1HD LYS 13 -24.119 1.559 8.259 674 HE2 LYS 13 2HE LYS 13 -24.826 -0.222 6.693 675 HE3 LYS 13 1HE LYS 13 -23.129 -0.574 6.373 676 HZ1 LYS 13 1HZ LYS 13 -23.868 -2.105 7.985 677 HZ2 LYS 13 2HZ LYS 13 -24.590 -0.895 8.931 678 HZ3 LYS 13 3HZ LYS 13 -22.899 -0.985 8.814 679 H LYS 14 H LYS 14 -21.649 4.966 4.645 680 HA LYS 14 HA LYS 14 -20.756 2.980 2.879 681 HB2 LYS 14 2HB LYS 14 -21.931 5.109 2.269 682 HB3 LYS 14 1HB LYS 14 -20.433 5.972 2.583 683 HG2 LYS 14 2HG LYS 14 -20.770 5.589 0.205 684 HG3 LYS 14 1HG LYS 14 -19.329 4.762 0.798 685 HD2 LYS 14 2HD LYS 14 -20.426 2.653 0.767 686 HD3 LYS 14 1HD LYS 14 -22.000 3.404 0.503 687 HE2 LYS 14 2HE LYS 14 -21.077 2.383 -1.545 688 HE3 LYS 14 1HE LYS 14 -21.340 4.118 -1.704 689 HZ1 LYS 14 1HZ LYS 14 -18.991 4.490 -1.362 690 HZ2 LYS 14 2HZ LYS 14 -19.226 3.422 -2.657 691 HZ3 LYS 14 3HZ LYS 14 -18.721 2.827 -1.150 692 H LEU 15 H LEU 15 -18.975 5.560 4.543 693 HA LEU 15 HA LEU 15 -16.475 5.000 3.336 694 HG LEU 15 HG LEU 15 -17.905 7.628 3.852 695 HB2 LEU 15 2HB LEU 15 -17.187 6.441 5.884 696 HB3 LEU 15 1HB LEU 15 -15.556 6.349 5.252 697 HD11 LEU 15 1HD1 LEU 15 -16.749 9.730 4.302 698 HD12 LEU 15 2HD1 LEU 15 -15.511 8.860 5.208 699 HD13 LEU 15 3HD1 LEU 15 -17.172 8.899 5.798 700 HD21 LEU 15 1HD2 LEU 15 -14.986 7.506 3.096 701 HD22 LEU 15 2HD2 LEU 15 -16.224 8.444 2.264 702 HD23 LEU 15 3HD2 LEU 15 -16.311 6.682 2.272 703 H ASN 16 H ASN 16 -17.883 4.021 6.448 704 HA ASN 16 HA ASN 16 -15.609 2.712 7.459 705 HB2 ASN 16 2HB ASN 16 -17.740 3.340 8.713 706 HB3 ASN 16 1HB ASN 16 -18.463 1.895 8.020 707 HD21 ASN 16 1HD2 ASN 16 -17.975 2.577 10.802 708 HD22 ASN 16 2HD2 ASN 16 -16.983 1.317 11.444 709 H ALA 17 H ALA 17 -18.355 1.508 5.566 710 HA ALA 17 HA ALA 17 -17.613 -1.185 5.437 711 HB1 ALA 17 1HB ALA 17 -19.049 0.420 3.324 712 HB2 ALA 17 2HB ALA 17 -19.808 -0.341 4.723 713 HB3 ALA 17 3HB ALA 17 -19.049 -1.336 3.480 714 H GLN 18 H GLN 18 -16.724 1.553 3.391 715 HA GLN 18 HA GLN 18 -15.245 0.078 1.486 716 HB2 GLN 18 2HB GLN 18 -16.093 2.424 1.205 717 HB3 GLN 18 1HB GLN 18 -14.823 2.959 2.296 718 HG2 GLN 18 2HG GLN 18 -13.129 2.199 0.759 719 HG3 GLN 18 1HG GLN 18 -14.363 1.552 -0.322 720 HE21 GLN 18 1HE2 GLN 18 -12.795 4.401 0.861 721 HE22 GLN 18 2HE2 GLN 18 -13.436 5.501 -0.313 722 H ALA 19 H ALA 19 -14.300 1.804 4.439 723 HA ALA 19 HA ALA 19 -11.531 1.277 4.257 724 HB1 ALA 19 1HB ALA 19 -12.491 3.032 5.689 725 HB2 ALA 19 2HB ALA 19 -11.430 1.945 6.587 726 HB3 ALA 19 3HB ALA 19 -13.182 1.785 6.729 727 H THR 20 H THR 20 -14.226 -0.604 5.400 728 HA THR 20 HA THR 20 -12.663 -2.556 6.787 729 HB THR 20 HB THR 20 -15.484 -2.791 5.707 730 HG1 THR 20 1HG THR 20 -15.286 -1.077 7.203 731 HG21 THR 20 1HG2 THR 20 -14.061 -4.376 7.856 732 HG22 THR 20 2HG2 THR 20 -14.459 -4.963 6.240 733 HG23 THR 20 3HG2 THR 20 -15.748 -4.559 7.375 734 H ALA 21 H ALA 21 -14.187 -2.384 3.594 735 HA ALA 21 HA ALA 21 -13.553 -4.959 2.710 736 HB1 ALA 21 1HB ALA 21 -13.898 -2.443 1.085 737 HB2 ALA 21 2HB ALA 21 -15.185 -3.533 1.601 738 HB3 ALA 21 3HB ALA 21 -13.960 -4.091 0.460 739 H LEU 22 H LEU 22 -11.826 -1.893 2.082 740 HA LEU 22 HA LEU 22 -9.743 -3.114 0.621 741 HG LEU 22 HG LEU 22 -9.604 0.410 -0.369 742 HB2 LEU 22 2HB LEU 22 -10.098 -0.439 1.904 743 HB3 LEU 22 1HB LEU 22 -8.515 -0.900 1.311 744 HD11 LEU 22 1HD1 LEU 22 -8.243 -1.416 -1.183 745 HD12 LEU 22 2HD1 LEU 22 -9.621 -1.160 -2.255 746 HD13 LEU 22 3HD1 LEU 22 -9.627 -2.509 -1.120 747 HD21 LEU 22 1HD2 LEU 22 -11.720 -0.279 -1.406 748 HD22 LEU 22 2HD2 LEU 22 -11.916 0.126 0.299 749 HD23 LEU 22 3HD2 LEU 22 -11.880 -1.563 -0.205 750 H LYS 23 H LYS 23 -10.202 -2.558 4.039 751 HA LYS 23 HA LYS 23 -7.533 -2.906 4.857 752 HB2 LYS 23 2HB LYS 23 -9.113 -1.937 6.390 753 HB3 LYS 23 1HB LYS 23 -10.123 -3.377 6.340 754 HG2 LYS 23 2HG LYS 23 -8.540 -4.651 7.539 755 HG3 LYS 23 1HG LYS 23 -7.295 -3.422 7.339 756 HD2 LYS 23 2HD LYS 23 -8.133 -3.364 9.597 757 HD3 LYS 23 1HD LYS 23 -8.614 -1.891 8.758 758 HE2 LYS 23 2HE LYS 23 -10.472 -4.227 8.828 759 HE3 LYS 23 1HE LYS 23 -10.322 -3.196 10.247 760 HZ1 LYS 23 1HZ LYS 23 -12.128 -2.473 8.836 761 HZ2 LYS 23 2HZ LYS 23 -11.072 -2.286 7.522 762 HZ3 LYS 23 3HZ LYS 23 -10.913 -1.292 8.882 763 H MET 24 H MET 24 -10.179 -5.250 4.451 764 HA MET 24 HA MET 24 -8.600 -7.426 5.423 765 HB2 MET 24 2HB MET 24 -10.399 -8.876 4.708 766 HB3 MET 24 1HB MET 24 -11.063 -7.463 5.512 767 HG2 MET 24 2HG MET 24 -11.601 -6.487 3.337 768 HG3 MET 24 1HG MET 24 -10.955 -7.921 2.544 769 HE1 MET 24 1HE MET 24 -14.714 -7.897 5.227 770 HE2 MET 24 2HE MET 24 -13.757 -6.466 4.847 771 HE3 MET 24 3HE MET 24 -13.083 -7.727 5.883 772 H ASP 25 H ASP 25 -9.253 -6.076 2.241 773 HA ASP 25 HA ASP 25 -8.056 -8.137 0.727 774 HB2 ASP 25 2HB ASP 25 -8.813 -5.307 0.227 775 HB3 ASP 25 1HB ASP 25 -7.638 -6.025 -0.868 776 H LEU 26 H LEU 26 -6.745 -5.048 1.923 777 HA LEU 26 HA LEU 26 -4.151 -5.387 0.901 778 HG LEU 26 HG LEU 26 -2.548 -4.069 3.201 779 HB2 LEU 26 2HB LEU 26 -5.054 -3.245 1.728 780 HB3 LEU 26 1HB LEU 26 -5.018 -3.871 3.365 781 HD11 LEU 26 1HD1 LEU 26 -2.375 -4.290 0.776 782 HD12 LEU 26 2HD1 LEU 26 -1.382 -2.960 1.372 783 HD13 LEU 26 3HD1 LEU 26 -2.922 -2.624 0.582 784 HD21 LEU 26 1HD2 LEU 26 -2.090 -1.680 3.374 785 HD22 LEU 26 2HD2 LEU 26 -3.578 -2.107 4.219 786 HD23 LEU 26 3HD2 LEU 26 -3.654 -1.321 2.642 787 H HIS 27 H HIS 27 -5.590 -6.321 3.983 788 HA HIS 27 HA HIS 27 -3.283 -7.228 5.284 789 HD1 HIS 27 1HD HIS 27 -5.962 -7.846 8.652 790 HD2 HIS 27 2HD HIS 27 -3.209 -10.035 6.439 791 HE1 HIS 27 1HE HIS 27 -4.878 -9.426 10.287 792 HE2 HIS 27 2HE HIS 27 -3.040 -10.551 8.966 793 HB2 HIS 27 2HB HIS 27 -5.553 -6.906 6.319 794 HB3 HIS 27 1HB HIS 27 -6.066 -8.390 5.531 795 H ASP 28 H ASP 28 -5.616 -9.013 3.264 796 HA ASP 28 HA ASP 28 -4.281 -11.501 3.588 797 HB2 ASP 28 2HB ASP 28 -6.705 -11.211 2.990 798 HB3 ASP 28 1HB ASP 28 -6.190 -10.736 1.376 799 H LEU 29 H LEU 29 -4.088 -8.917 1.238 800 HA LEU 29 HA LEU 29 -2.509 -10.234 -0.691 801 HG LEU 29 HG LEU 29 -0.704 -7.811 -1.481 802 HB2 LEU 29 2HB LEU 29 -3.685 -8.107 -1.093 803 HB3 LEU 29 1HB LEU 29 -2.603 -7.302 0.025 804 HD11 LEU 29 1HD1 LEU 29 -1.627 -9.806 -2.545 805 HD12 LEU 29 2HD1 LEU 29 -1.152 -8.601 -3.743 806 HD13 LEU 29 3HD1 LEU 29 -2.855 -8.819 -3.338 807 HD21 LEU 29 1HD2 LEU 29 -3.000 -6.351 -2.778 808 HD22 LEU 29 2HD2 LEU 29 -1.294 -6.178 -3.192 809 HD23 LEU 29 3HD2 LEU 29 -1.873 -5.670 -1.606 810 H ALA 30 H ALA 30 -1.673 -8.385 2.214 811 HA ALA 30 HA ALA 30 1.146 -8.510 1.796 812 HB1 ALA 30 1HB ALA 30 -0.338 -8.061 4.384 813 HB2 ALA 30 2HB ALA 30 0.091 -6.809 3.220 814 HB3 ALA 30 3HB ALA 30 1.360 -7.694 4.064 815 H GLU 31 H GLU 31 -1.199 -10.598 3.240 816 HA GLU 31 HA GLU 31 0.651 -12.301 4.594 817 HB2 GLU 31 2HB GLU 31 -2.236 -12.205 4.098 818 HB3 GLU 31 1HB GLU 31 -1.580 -13.834 4.176 819 HG2 GLU 31 2HG GLU 31 -1.028 -11.781 6.287 820 HG3 GLU 31 1HG GLU 31 -2.442 -12.835 6.335 821 H ASP 32 H ASP 32 -0.441 -11.985 1.351 822 HA ASP 32 HA ASP 32 0.839 -14.546 0.654 823 HB2 ASP 32 2HB ASP 32 -1.738 -14.170 0.274 824 HB3 ASP 32 1HB ASP 32 -1.191 -13.265 -1.135 825 H LEU 33 H LEU 33 1.903 -11.829 0.948 826 HA LEU 33 HA LEU 33 2.548 -10.479 -1.313 827 HG LEU 33 HG LEU 33 2.297 -9.079 1.042 828 HB2 LEU 33 2HB LEU 33 3.889 -10.899 1.275 829 HB3 LEU 33 1HB LEU 33 4.876 -10.234 -0.017 830 HD11 LEU 33 1HD1 LEU 33 3.699 -7.214 1.743 831 HD12 LEU 33 2HD1 LEU 33 5.130 -8.061 1.157 832 HD13 LEU 33 3HD1 LEU 33 4.206 -8.719 2.508 833 HD21 LEU 33 1HD2 LEU 33 4.078 -8.121 -1.201 834 HD22 LEU 33 2HD2 LEU 33 2.733 -7.215 -0.510 835 HD23 LEU 33 3HD2 LEU 33 2.430 -8.729 -1.364 836 HA PRO 34 HA PRO 34 5.571 -10.849 -4.259 837 HB2 PRO 34 2HB PRO 34 6.552 -13.306 -2.836 838 HB3 PRO 34 1HB PRO 34 7.351 -12.403 -4.142 839 HG2 PRO 34 2HG PRO 34 7.607 -11.791 -1.416 840 HG3 PRO 34 1HG PRO 34 7.944 -10.666 -2.745 841 HD2 PRO 34 2HD PRO 34 5.916 -10.319 -0.813 842 HD3 PRO 34 1HD PRO 34 5.947 -9.515 -2.408 843 H THR 35 H THR 35 2.895 -12.264 -3.288 844 HA THR 35 HA THR 35 2.525 -13.125 -6.076 845 HB THR 35 HB THR 35 0.410 -13.944 -4.237 846 HG1 THR 35 1HG THR 35 2.121 -14.399 -2.833 847 HG21 THR 35 1HG2 THR 35 0.612 -16.045 -5.498 848 HG22 THR 35 2HG2 THR 35 2.057 -15.417 -6.289 849 HG23 THR 35 3HG2 THR 35 0.495 -14.644 -6.561 850 H GLY 36 H GLY 36 0.925 -12.042 -7.157 851 HA2 GLY 36 2HA GLY 36 -0.554 -10.340 -7.637 852 HA3 GLY 36 1HA GLY 36 -1.162 -10.544 -6.003 853 H TRP 37 H TRP 37 2.158 -9.740 -6.404 854 HA TRP 37 HA TRP 37 2.087 -7.540 -4.729 855 HD1 TRP 37 HD TRP 37 4.928 -6.254 -7.840 856 HE1 TRP 37 1HE TRP 37 5.707 -7.455 -9.984 857 HE3 TRP 37 3HE TRP 37 3.881 -11.073 -6.500 858 HZ2 TRP 37 2HZ TRP 37 5.857 -10.088 -10.968 859 HZ3 TRP 37 3HZ TRP 37 4.378 -12.873 -8.098 860 HH2 TRP 37 HH TRP 37 5.347 -12.390 -10.287 861 HB2 TRP 37 2HB TRP 37 4.397 -7.151 -5.374 862 HB3 TRP 37 1HB TRP 37 4.108 -8.875 -5.177 863 H ASN 38 H ASN 38 1.436 -7.653 -8.150 864 HA ASN 38 HA ASN 38 2.111 -4.969 -8.745 865 HB2 ASN 38 2HB ASN 38 1.634 -6.792 -10.439 866 HB3 ASN 38 1HB ASN 38 -0.078 -6.549 -10.100 867 HD21 ASN 38 1HD2 ASN 38 -0.634 -5.790 -12.105 868 HD22 ASN 38 2HD2 ASN 38 -0.086 -4.265 -12.728 869 H ARG 39 H ARG 39 -0.500 -6.352 -6.991 870 HA ARG 39 HA ARG 39 -2.200 -4.013 -7.385 871 HE ARG 39 HE ARG 39 -4.977 -7.711 -9.470 872 HB2 ARG 39 2HB ARG 39 -2.605 -6.636 -5.970 873 HB3 ARG 39 1HB ARG 39 -3.749 -5.316 -5.857 874 HG2 ARG 39 2HG ARG 39 -3.920 -5.363 -8.355 875 HG3 ARG 39 1HG ARG 39 -2.968 -6.850 -8.314 876 HD2 ARG 39 2HD ARG 39 -4.666 -7.881 -6.865 877 HD3 ARG 39 1HD ARG 39 -5.621 -6.402 -6.943 878 HH11 ARG 39 1HH1 ARG 39 -7.363 -6.982 -7.005 879 HH12 ARG 39 2HH1 ARG 39 -8.702 -7.568 -7.949 880 HH21 ARG 39 1HH2 ARG 39 -6.748 -8.478 -10.710 881 HH22 ARG 39 2HH2 ARG 39 -8.353 -8.393 -10.044 882 H ILE 40 H ILE 40 0.361 -4.714 -5.445 883 HA ILE 40 HA ILE 40 -0.435 -4.231 -2.831 884 HB ILE 40 HB ILE 40 2.170 -3.552 -4.192 885 HG12 ILE 40 2HG1 ILE 40 1.430 -5.740 -2.235 886 HG13 ILE 40 1HG1 ILE 40 1.596 -5.950 -3.978 887 HG21 ILE 40 1HG2 ILE 40 1.539 -3.421 -1.242 888 HG22 ILE 40 2HG2 ILE 40 1.908 -2.051 -2.291 889 HG23 ILE 40 3HG2 ILE 40 3.142 -3.267 -1.959 890 HD11 ILE 40 1HD1 ILE 40 3.788 -5.111 -2.095 891 HD12 ILE 40 2HD1 ILE 40 3.949 -5.365 -3.834 892 HD13 ILE 40 3HD1 ILE 40 3.568 -6.723 -2.775 893 H MET 41 H MET 41 0.653 -1.827 -5.224 894 HA MET 41 HA MET 41 0.409 0.319 -3.358 895 HB2 MET 41 2HB MET 41 0.759 0.324 -6.356 896 HB3 MET 41 1HB MET 41 0.767 1.776 -5.363 897 HG2 MET 41 2HG MET 41 2.693 0.854 -4.112 898 HG3 MET 41 1HG MET 41 2.712 -0.517 -5.220 899 HE1 MET 41 1HE MET 41 3.249 3.343 -4.805 900 HE2 MET 41 2HE MET 41 1.976 3.292 -6.026 901 HE3 MET 41 3HE MET 41 3.593 3.845 -6.461 902 H GLU 42 H GLU 42 -1.607 -0.837 -6.037 903 HA GLU 42 HA GLU 42 -3.401 1.335 -6.048 904 HB2 GLU 42 2HB GLU 42 -3.122 -0.523 -7.791 905 HB3 GLU 42 1HB GLU 42 -4.158 -1.495 -6.762 906 HG2 GLU 42 2HG GLU 42 -5.923 0.182 -6.952 907 HG3 GLU 42 1HG GLU 42 -4.887 1.144 -8.006 908 H VAL 43 H VAL 43 -3.601 -1.829 -4.434 909 HA VAL 43 HA VAL 43 -6.043 -1.353 -3.117 910 HB VAL 43 HB VAL 43 -3.749 -3.126 -2.246 911 HG11 VAL 43 1HG1 VAL 43 -5.392 -4.283 -0.860 912 HG12 VAL 43 2HG1 VAL 43 -6.626 -3.118 -1.335 913 HG13 VAL 43 3HG1 VAL 43 -5.242 -2.594 -0.375 914 HG21 VAL 43 1HG2 VAL 43 -5.141 -4.933 -3.211 915 HG22 VAL 43 2HG2 VAL 43 -4.618 -3.755 -4.417 916 HG23 VAL 43 3HG2 VAL 43 -6.269 -3.713 -3.799 917 H ALA 44 H ALA 44 -2.689 -0.719 -2.154 918 HA ALA 44 HA ALA 44 -3.194 0.227 0.433 919 HB1 ALA 44 1HB ALA 44 -0.989 1.054 -1.452 920 HB2 ALA 44 2HB ALA 44 -0.953 -0.340 -0.371 921 HB3 ALA 44 3HB ALA 44 -1.005 1.292 0.297 922 H GLU 45 H GLU 45 -3.128 1.902 -2.692 923 HA GLU 45 HA GLU 45 -3.448 4.526 -1.912 924 HB2 GLU 45 2HB GLU 45 -4.668 3.042 -4.244 925 HB3 GLU 45 1HB GLU 45 -4.686 4.780 -4.075 926 HG2 GLU 45 2HG GLU 45 -2.267 4.841 -4.157 927 HG3 GLU 45 1HG GLU 45 -2.224 3.080 -4.277 928 H LYS 46 H LYS 46 -6.008 2.194 -2.674 929 HA LYS 46 HA LYS 46 -8.138 3.934 -2.026 930 HB2 LYS 46 2HB LYS 46 -7.956 0.967 -2.469 931 HB3 LYS 46 1HB LYS 46 -9.467 1.724 -1.998 932 HG2 LYS 46 2HG LYS 46 -9.274 1.341 -4.432 933 HG3 LYS 46 1HG LYS 46 -9.509 3.038 -4.013 934 HD2 LYS 46 2HD LYS 46 -7.174 3.499 -4.368 935 HD3 LYS 46 1HD LYS 46 -6.827 1.787 -4.601 936 HE2 LYS 46 2HE LYS 46 -8.049 1.748 -6.653 937 HE3 LYS 46 1HE LYS 46 -8.666 3.378 -6.377 938 HZ1 LYS 46 1HZ LYS 46 -6.746 3.163 -7.977 939 HZ2 LYS 46 2HZ LYS 46 -5.763 2.813 -6.637 940 HZ3 LYS 46 3HZ LYS 46 -6.561 4.305 -6.740 941 H THR 47 H THR 47 -6.394 1.495 -0.183 942 HA THR 47 HA THR 47 -8.093 1.453 2.069 943 HB THR 47 HB THR 47 -5.105 0.958 2.008 944 HG1 THR 47 1HG THR 47 -6.062 -0.452 0.564 945 HG21 THR 47 1HG2 THR 47 -7.239 0.009 3.924 946 HG22 THR 47 2HG2 THR 47 -6.007 1.222 4.268 947 HG23 THR 47 3HG2 THR 47 -5.537 -0.450 3.965 948 H TYR 48 H TYR 48 -5.092 3.283 1.418 949 HA TYR 48 HA TYR 48 -5.159 4.702 3.865 950 HD1 TYR 48 2HD TYR 48 -3.215 5.684 4.961 951 HD2 TYR 48 1HD TYR 48 -3.201 7.688 1.205 952 HE1 TYR 48 2HE TYR 48 -2.407 7.728 6.055 953 HE2 TYR 48 1HE TYR 48 -2.395 9.739 2.301 954 HH TYR 48 HH TYR 48 -1.112 9.764 5.405 955 HB2 TYR 48 2HB TYR 48 -3.091 4.479 2.565 956 HB3 TYR 48 1HB TYR 48 -3.791 5.450 1.272 957 H GLU 49 H GLU 49 -6.325 5.447 0.608 958 HA GLU 49 HA GLU 49 -7.153 8.068 0.951 959 HB2 GLU 49 2HB GLU 49 -7.215 6.827 -1.192 960 HB3 GLU 49 1HB GLU 49 -8.575 5.892 -0.595 961 HG2 GLU 49 2HG GLU 49 -9.451 7.548 -2.028 962 HG3 GLU 49 1HG GLU 49 -9.842 8.043 -0.380 963 H ALA 50 H ALA 50 -9.007 5.091 1.521 964 HA ALA 50 HA ALA 50 -11.360 6.281 2.436 965 HB1 ALA 50 1HB ALA 50 -11.178 3.924 1.800 966 HB2 ALA 50 2HB ALA 50 -11.891 4.110 3.403 967 HB3 ALA 50 3HB ALA 50 -10.207 3.612 3.237 968 H TYR 51 H TYR 51 -8.570 5.096 4.333 969 HA TYR 51 HA TYR 51 -9.707 5.814 6.821 970 HD1 TYR 51 1HD TYR 51 -8.186 2.872 5.339 971 HD2 TYR 51 2HD TYR 51 -8.191 4.470 9.285 972 HE1 TYR 51 1HE TYR 51 -8.968 0.707 6.212 973 HE2 TYR 51 2HE TYR 51 -8.971 2.314 10.166 974 HH TYR 51 HH TYR 51 -10.064 0.331 9.478 975 HB2 TYR 51 2HB TYR 51 -6.990 4.991 5.911 976 HB3 TYR 51 1HB TYR 51 -7.173 5.688 7.519 977 H ARG 52 H ARG 52 -7.750 7.572 4.514 978 HA ARG 52 HA ARG 52 -7.265 9.832 6.173 979 HE ARG 52 HE ARG 52 -4.508 11.074 4.785 980 HB2 ARG 52 2HB ARG 52 -5.940 9.559 4.192 981 HB3 ARG 52 1HB ARG 52 -7.370 9.500 3.172 982 HG2 ARG 52 2HG ARG 52 -6.195 11.633 2.989 983 HG3 ARG 52 1HG ARG 52 -7.828 11.834 3.621 984 HD2 ARG 52 2HD ARG 52 -6.230 13.221 4.836 985 HD3 ARG 52 1HD ARG 52 -6.950 12.002 5.886 986 HH11 ARG 52 1HH1 ARG 52 -5.786 13.263 7.208 987 HH12 ARG 52 2HH1 ARG 52 -4.384 13.137 8.227 988 HH21 ARG 52 1HH2 ARG 52 -2.665 10.931 6.112 989 HH22 ARG 52 2HH2 ARG 52 -2.595 11.850 7.591 990 H GLN 53 H GLN 53 -9.731 9.091 3.750 991 HA GLN 53 HA GLN 53 -11.270 11.410 4.025 992 HB2 GLN 53 2HB GLN 53 -12.094 8.595 3.283 993 HB3 GLN 53 1HB GLN 53 -13.133 9.998 3.107 994 HG2 GLN 53 2HG GLN 53 -10.502 9.561 1.721 995 HG3 GLN 53 1HG GLN 53 -12.100 9.412 0.994 996 HE21 GLN 53 1HE2 GLN 53 -9.809 11.159 0.354 997 HE22 GLN 53 2HE2 GLN 53 -10.437 12.780 0.419 998 H LEU 54 H LEU 54 -11.344 8.364 5.828 999 HA LEU 54 HA LEU 54 -13.556 8.897 7.454 1000 HG LEU 54 HG LEU 54 -12.873 5.459 8.420 1001 HB2 LEU 54 2HB LEU 54 -11.245 7.092 7.541 1002 HB3 LEU 54 1HB LEU 54 -11.866 7.523 9.121 1003 HD11 LEU 54 1HD1 LEU 54 -14.858 7.714 8.177 1004 HD12 LEU 54 2HD1 LEU 54 -14.277 7.004 9.684 1005 HD13 LEU 54 3HD1 LEU 54 -15.233 6.035 8.562 1006 HD21 LEU 54 1HD2 LEU 54 -13.838 6.938 5.976 1007 HD22 LEU 54 2HD2 LEU 54 -14.240 5.277 6.414 1008 HD23 LEU 54 3HD2 LEU 54 -12.579 5.705 6.007 1009 H ASP 55 H ASP 55 -10.118 9.616 7.989 1010 HA ASP 55 HA ASP 55 -10.399 10.825 10.507 1011 HB2 ASP 55 2HB ASP 55 -8.210 10.185 9.755 1012 HB3 ASP 55 1HB ASP 55 -8.331 11.225 8.339 1013 H GLU 56 H GLU 56 -10.266 12.330 7.267 1014 HA GLU 56 HA GLU 56 -10.542 14.941 8.126 1015 HB2 GLU 56 2HB GLU 56 -9.758 14.228 5.896 1016 HB3 GLU 56 1HB GLU 56 -11.386 13.674 5.521 1017 HG2 GLU 56 2HG GLU 56 -12.236 15.859 5.677 1018 HG3 GLU 56 1HG GLU 56 -10.703 16.473 6.273 1019 H PHE 57 H PHE 57 -12.934 12.525 7.142 1020 HA PHE 57 HA PHE 57 -15.220 14.119 7.408 1021 HD1 PHE 57 1HD PHE 57 -17.413 13.375 6.287 1022 HD2 PHE 57 2HD PHE 57 -16.635 10.330 9.157 1023 HE1 PHE 57 1HE PHE 57 -19.823 13.183 6.734 1024 HE2 PHE 57 2HE PHE 57 -19.046 10.132 9.604 1025 HZ PHE 57 HZ PHE 57 -20.640 11.562 8.393 1026 HB2 PHE 57 2HB PHE 57 -15.249 11.907 6.345 1027 HB3 PHE 57 1HB PHE 57 -14.891 11.148 7.892 1028 H ARG 58 H ARG 58 -13.501 12.083 9.757 1029 HA ARG 58 HA ARG 58 -15.263 12.493 11.910 1030 HE ARG 58 HE ARG 58 -14.822 11.693 14.433 1031 HB2 ARG 58 2HB ARG 58 -12.424 11.586 11.645 1032 HB3 ARG 58 1HB ARG 58 -13.076 11.917 13.237 1033 HG2 ARG 58 2HG ARG 58 -14.870 10.273 11.686 1034 HG3 ARG 58 1HG ARG 58 -13.268 9.547 11.816 1035 HD2 ARG 58 2HD ARG 58 -14.787 8.852 13.636 1036 HD3 ARG 58 1HD ARG 58 -13.354 9.688 14.227 1037 HH11 ARG 58 1HH1 ARG 58 -16.155 8.449 14.578 1038 HH12 ARG 58 2HH1 ARG 58 -17.566 8.942 15.458 1039 HH21 ARG 58 1HH2 ARG 58 -16.649 12.334 15.625 1040 HH22 ARG 58 2HH2 ARG 58 -17.852 11.163 16.049 1041 H LYS 59 H LYS 59 -12.492 14.313 10.757 1042 HA LYS 59 HA LYS 59 -12.318 16.086 12.977 1043 HB2 LYS 59 2HB LYS 59 -10.514 15.639 11.279 1044 HB3 LYS 59 1HB LYS 59 -11.448 16.576 10.122 1045 HG2 LYS 59 2HG LYS 59 -11.215 18.557 11.498 1046 HG3 LYS 59 1HG LYS 59 -10.334 17.626 12.715 1047 HD2 LYS 59 2HD LYS 59 -8.614 17.110 11.018 1048 HD3 LYS 59 1HD LYS 59 -9.474 18.132 9.870 1049 HE2 LYS 59 2HE LYS 59 -9.156 20.058 11.345 1050 HE3 LYS 59 1HE LYS 59 -8.287 19.034 12.489 1051 HZ1 LYS 59 1HZ LYS 59 -7.443 19.550 9.689 1052 HZ2 LYS 59 2HZ LYS 59 -6.592 18.638 10.836 1053 HZ3 LYS 59 3HZ LYS 59 -6.787 20.307 11.057 1054 H SER 60 H SER 60 -13.948 16.252 9.842 1055 HA SER 60 HA SER 60 -15.093 18.811 10.240 1056 HG SER 60 HG SER 60 -17.668 17.852 8.283 1057 HB2 SER 60 2HB SER 60 -14.909 17.781 8.015 1058 HB3 SER 60 1HB SER 60 -16.037 16.520 8.502 1059 H THR 61 H THR 61 -16.234 15.530 10.832 1060 HA THR 61 HA THR 61 -18.784 16.191 11.808 1061 HB THR 61 HB THR 61 -17.057 13.781 12.416 1062 HG1 THR 61 1HG THR 61 -19.258 13.988 10.629 1063 HG21 THR 61 1HG2 THR 61 -19.162 12.670 13.043 1064 HG22 THR 61 2HG2 THR 61 -20.016 14.201 12.855 1065 HG23 THR 61 3HG2 THR 61 -18.791 14.024 14.111 1066 H ALA 62 H ALA 62 -15.629 15.970 13.398 1067 HA ALA 62 HA ALA 62 -16.468 16.089 16.060 1068 HB1 ALA 62 1HB ALA 62 -13.997 17.336 14.865 1069 HB2 ALA 62 2HB ALA 62 -14.151 15.657 15.384 1070 HB3 ALA 62 3HB ALA 62 -14.257 16.960 16.568 1071 H SER 63 H SER 63 -15.887 18.683 13.725 1072 HA SER 63 HA SER 63 -16.468 20.820 15.503 1073 HG SER 63 HG SER 63 -16.824 22.897 12.600 1074 HB2 SER 63 2HB SER 63 -15.249 21.092 13.343 1075 HB3 SER 63 1HB SER 63 -16.753 20.763 12.485 1076 H LEU 64 H LEU 64 -18.440 18.894 13.276 1077 HA LEU 64 HA LEU 64 -20.814 20.416 13.602 1078 HG LEU 64 HG LEU 64 -22.413 18.212 11.130 1079 HB2 LEU 64 2HB LEU 64 -20.263 18.855 11.701 1080 HB3 LEU 64 1HB LEU 64 -20.580 17.520 12.786 1081 HD11 LEU 64 1HD1 LEU 64 -22.803 16.640 12.943 1082 HD12 LEU 64 2HD1 LEU 64 -24.196 17.697 12.719 1083 HD13 LEU 64 3HD1 LEU 64 -23.084 17.975 14.059 1084 HD21 LEU 64 1HD2 LEU 64 -22.766 20.384 13.189 1085 HD22 LEU 64 2HD2 LEU 64 -23.909 19.985 11.907 1086 HD23 LEU 64 3HD2 LEU 64 -22.309 20.606 11.501 1087 H GLU 65 H GLU 65 -19.476 17.611 15.221 1088 HA GLU 65 HA GLU 65 -21.689 16.974 16.830 1089 HB2 GLU 65 2HB GLU 65 -18.746 16.436 16.996 1090 HB3 GLU 65 1HB GLU 65 -19.814 15.957 18.291 1091 HG2 GLU 65 2HG GLU 65 -21.129 14.680 16.544 1092 HG3 GLU 65 1HG GLU 65 -19.759 14.969 15.468 1093 H HIS 66 H HIS 66 -19.666 19.618 16.873 1094 HA HIS 66 HA HIS 66 -19.153 21.276 18.344 1095 HD1 HIS 66 1HD HIS 66 -21.327 21.483 22.154 1096 HD2 HIS 66 2HD HIS 66 -20.334 23.843 18.875 1097 HE1 HIS 66 1HE HIS 66 -21.005 23.805 23.060 1098 HE2 HIS 66 2HE HIS 66 -20.611 25.247 21.033 1099 HB2 HIS 66 2HB HIS 66 -21.688 21.203 18.597 1100 HB3 HIS 66 1HB HIS 66 -21.434 20.215 20.029 1101 H HIS 67 H HIS 67 -17.803 18.832 18.477 1102 HA HIS 67 HA HIS 67 -16.308 17.666 19.702 1103 HD1 HIS 67 1HD HIS 67 -15.819 21.765 20.279 1104 HD2 HIS 67 2HD HIS 67 -13.494 18.312 20.255 1105 HE1 HIS 67 1HE HIS 67 -13.696 22.377 19.067 1106 HE2 HIS 67 2HE HIS 67 -12.361 20.240 18.955 1107 HB2 HIS 67 2HB HIS 67 -16.826 19.913 21.632 1108 HB3 HIS 67 1HB HIS 67 -15.762 18.572 22.057 1109 H HIS 68 H HIS 68 -18.925 16.787 19.592 1110 HA HIS 68 HA HIS 68 -19.847 15.806 22.084 1111 HD1 HIS 68 1HD HIS 68 -21.092 12.676 18.920 1112 HD2 HIS 68 2HD HIS 68 -22.399 14.271 22.544 1113 HE1 HIS 68 1HE HIS 68 -22.591 10.927 19.945 1114 HE2 HIS 68 2HE HIS 68 -23.227 11.836 22.204 1115 HB2 HIS 68 2HB HIS 68 -21.369 15.947 20.243 1116 HB3 HIS 68 1HB HIS 68 -20.326 14.971 19.223 1117 H HIS 69 H HIS 69 -18.473 13.879 19.384 1118 HA HIS 69 HA HIS 69 -17.116 12.059 19.328 1119 HD1 HIS 69 1HD HIS 69 -13.523 11.540 20.118 1120 HD2 HIS 69 2HD HIS 69 -15.468 15.006 18.873 1121 HE1 HIS 69 1HE HIS 69 -12.073 12.523 18.314 1122 HE2 HIS 69 2HE HIS 69 -13.326 14.538 17.480 1123 HB2 HIS 69 2HB HIS 69 -16.013 13.700 21.520 1124 HB3 HIS 69 1HB HIS 69 -15.501 12.019 21.499 1125 H HIS 70 H HIS 70 -18.562 10.384 19.546 1126 HA HIS 70 HA HIS 70 -18.377 8.982 22.092 1127 HD1 HIS 70 1HD HIS 70 -22.090 7.173 20.938 1128 HD2 HIS 70 2HD HIS 70 -20.416 8.521 24.506 1129 HE1 HIS 70 1HE HIS 70 -22.860 5.562 22.703 1130 HE2 HIS 70 2HE HIS 70 -22.035 6.532 24.876 1131 HB2 HIS 70 2HB HIS 70 -20.489 10.262 22.233 1132 HB3 HIS 70 1HB HIS 70 -21.040 9.499 20.749 1133 H HIS 71 H HIS 71 -20.656 8.299 19.534 1134 HA HIS 71 HA HIS 71 -19.296 6.474 17.966 1135 HD1 HIS 71 1HD HIS 71 -17.914 4.457 21.374 1136 HD2 HIS 71 2HD HIS 71 -18.422 3.983 17.271 1137 HE1 HIS 71 1HE HIS 71 -15.851 3.260 20.563 1138 HE2 HIS 71 2HE HIS 71 -16.253 2.846 18.108 1139 HB2 HIS 71 2HB HIS 71 -20.039 5.408 20.602 1140 HB3 HIS 71 1HB HIS 71 -20.715 4.479 19.268 Start of MODEL 4 1 HA MET 1 HA MET 1 25.880 -2.794 -22.531 2 H1 MET 1 1H MET 1 25.265 -3.998 -24.559 3 H2 MET 1 2H MET 1 24.509 -2.491 -24.411 4 H3 MET 1 3H MET 1 23.633 -3.908 -24.095 5 HB2 MET 1 2HB MET 1 23.713 -1.701 -22.155 6 HB3 MET 1 1HB MET 1 22.971 -3.262 -21.839 7 HG2 MET 1 2HG MET 1 24.492 -3.538 -19.902 8 HG3 MET 1 1HG MET 1 25.088 -1.907 -20.189 9 HE1 MET 1 1HE MET 1 22.084 -4.129 -19.106 10 HE2 MET 1 2HE MET 1 21.376 -3.294 -20.488 11 HE3 MET 1 3HE MET 1 20.795 -2.950 -18.858 12 H SER 2 H SER 2 27.178 -4.625 -22.525 13 HA SER 2 HA SER 2 26.081 -6.989 -21.185 14 HG SER 2 HG SER 2 26.485 -7.261 -23.500 15 HB2 SER 2 2HB SER 2 28.859 -6.515 -22.310 16 HB3 SER 2 1HB SER 2 28.220 -8.051 -21.727 17 H GLU 3 H GLU 3 27.172 -7.776 -19.220 18 HA GLU 3 HA GLU 3 28.672 -5.768 -17.758 19 HB2 GLU 3 2HB GLU 3 26.230 -5.224 -17.486 20 HB3 GLU 3 1HB GLU 3 26.028 -6.784 -16.703 21 HG2 GLU 3 2HG GLU 3 26.236 -4.886 -15.131 22 HG3 GLU 3 1HG GLU 3 27.451 -6.142 -14.898 23 H GLY 4 H GLY 4 29.460 -6.556 -15.723 24 HA2 GLY 4 2HA GLY 4 30.308 -9.288 -15.872 25 HA3 GLY 4 1HA GLY 4 30.728 -8.124 -14.623 26 H ALA 5 H ALA 5 29.600 -10.991 -14.815 27 HA ALA 5 HA ALA 5 27.046 -11.035 -13.651 28 HB1 ALA 5 1HB ALA 5 28.083 -12.982 -14.730 29 HB2 ALA 5 2HB ALA 5 27.503 -13.354 -13.106 30 HB3 ALA 5 3HB ALA 5 29.225 -13.101 -13.392 31 H GLU 6 H GLU 6 30.179 -10.519 -12.293 32 HA GLU 6 HA GLU 6 29.659 -11.094 -9.604 33 HB2 GLU 6 2HB GLU 6 31.509 -8.992 -10.744 34 HB3 GLU 6 1HB GLU 6 31.579 -9.655 -9.116 35 HG2 GLU 6 2HG GLU 6 32.018 -11.872 -10.072 36 HG3 GLU 6 1HG GLU 6 32.038 -11.153 -11.676 37 H GLU 7 H GLU 7 29.532 -7.995 -11.314 38 HA GLU 7 HA GLU 7 28.454 -6.546 -9.125 39 HB2 GLU 7 2HB GLU 7 29.649 -5.600 -11.157 40 HB3 GLU 7 1HB GLU 7 28.152 -5.835 -12.042 41 HG2 GLU 7 2HG GLU 7 26.987 -4.297 -10.646 42 HG3 GLU 7 1HG GLU 7 28.353 -4.190 -9.536 43 H LEU 8 H LEU 8 27.097 -8.277 -11.835 44 HA LEU 8 HA LEU 8 24.420 -7.626 -11.718 45 HG LEU 8 HG LEU 8 24.139 -10.320 -14.201 46 HB2 LEU 8 2HB LEU 8 25.950 -9.267 -13.150 47 HB3 LEU 8 1HB LEU 8 25.282 -10.457 -12.060 48 HD11 LEU 8 1HD1 LEU 8 21.851 -10.278 -13.331 49 HD12 LEU 8 2HD1 LEU 8 22.437 -9.513 -11.856 50 HD13 LEU 8 3HD1 LEU 8 22.941 -11.155 -12.256 51 HD21 LEU 8 1HD2 LEU 8 24.369 -7.978 -14.696 52 HD22 LEU 8 2HD2 LEU 8 23.364 -7.560 -13.310 53 HD23 LEU 8 3HD2 LEU 8 22.659 -8.413 -14.682 54 H LYS 9 H LYS 9 26.158 -10.184 -9.985 55 HA LYS 9 HA LYS 9 23.919 -11.096 -8.495 56 HB2 LYS 9 2HB LYS 9 26.195 -12.241 -9.083 57 HB3 LYS 9 1HB LYS 9 26.759 -11.465 -7.615 58 HG2 LYS 9 2HG LYS 9 26.120 -13.700 -7.102 59 HG3 LYS 9 1HG LYS 9 24.949 -12.601 -6.369 60 HD2 LYS 9 2HD LYS 9 23.318 -13.093 -7.998 61 HD3 LYS 9 1HD LYS 9 24.500 -13.867 -9.059 62 HE2 LYS 9 2HE LYS 9 23.634 -14.893 -6.355 63 HE3 LYS 9 1HE LYS 9 23.070 -15.504 -7.909 64 HZ1 LYS 9 1HZ LYS 9 24.844 -16.876 -6.981 65 HZ2 LYS 9 2HZ LYS 9 25.893 -15.545 -6.973 66 HZ3 LYS 9 3HZ LYS 9 25.328 -16.165 -8.443 67 H ALA 10 H ALA 10 26.478 -8.768 -7.877 68 HA ALA 10 HA ALA 10 25.971 -8.419 -5.111 69 HB1 ALA 10 1HB ALA 10 27.295 -6.379 -5.318 70 HB2 ALA 10 2HB ALA 10 27.207 -6.492 -7.076 71 HB3 ALA 10 3HB ALA 10 28.067 -7.725 -6.154 72 H LYS 11 H LYS 11 24.768 -6.792 -8.012 73 HA LYS 11 HA LYS 11 23.255 -4.825 -6.638 74 HB2 LYS 11 2HB LYS 11 23.940 -4.779 -9.075 75 HB3 LYS 11 1HB LYS 11 22.667 -5.953 -9.377 76 HG2 LYS 11 2HG LYS 11 20.987 -4.388 -8.631 77 HG3 LYS 11 1HG LYS 11 22.233 -3.216 -8.196 78 HD2 LYS 11 2HD LYS 11 22.952 -3.205 -10.582 79 HD3 LYS 11 1HD LYS 11 21.558 -4.223 -10.953 80 HE2 LYS 11 2HE LYS 11 20.053 -2.495 -10.138 81 HE3 LYS 11 1HE LYS 11 21.428 -1.482 -9.695 82 HZ1 LYS 11 1HZ LYS 11 22.062 -1.620 -12.127 83 HZ2 LYS 11 2HZ LYS 11 20.704 -0.679 -11.748 84 HZ3 LYS 11 3HZ LYS 11 20.502 -2.227 -12.407 85 H LEU 12 H LEU 12 22.488 -8.005 -7.962 86 HA LEU 12 HA LEU 12 19.766 -8.057 -7.249 87 HG LEU 12 HG LEU 12 19.587 -11.061 -6.387 88 HB2 LEU 12 2HB LEU 12 20.809 -9.675 -8.783 89 HB3 LEU 12 1HB LEU 12 21.714 -10.360 -7.447 90 HD11 LEU 12 1HD1 LEU 12 18.123 -9.364 -7.328 91 HD12 LEU 12 2HD1 LEU 12 17.520 -10.981 -7.696 92 HD13 LEU 12 3HD1 LEU 12 18.347 -10.042 -8.942 93 HD21 LEU 12 1HD2 LEU 12 20.828 -12.605 -7.812 94 HD22 LEU 12 2HD2 LEU 12 19.952 -12.015 -9.224 95 HD23 LEU 12 3HD2 LEU 12 19.089 -12.869 -7.944 96 H LYS 13 H LYS 13 22.678 -9.074 -5.494 97 HA LYS 13 HA LYS 13 21.570 -10.046 -3.159 98 HB2 LYS 13 2HB LYS 13 24.000 -9.963 -3.778 99 HB3 LYS 13 1HB LYS 13 24.002 -8.258 -3.362 100 HG2 LYS 13 2HG LYS 13 24.927 -9.412 -1.526 101 HG3 LYS 13 1HG LYS 13 23.302 -8.920 -1.048 102 HD2 LYS 13 2HD LYS 13 23.706 -11.617 -2.251 103 HD3 LYS 13 1HD LYS 13 24.178 -11.347 -0.579 104 HE2 LYS 13 2HE LYS 13 21.890 -10.506 -0.121 105 HE3 LYS 13 1HE LYS 13 21.446 -10.927 -1.774 106 HZ1 LYS 13 1HZ LYS 13 22.459 -12.869 0.234 107 HZ2 LYS 13 2HZ LYS 13 21.863 -13.229 -1.310 108 HZ3 LYS 13 3HZ LYS 13 20.821 -12.624 -0.119 109 H LYS 14 H LYS 14 22.395 -6.682 -3.941 110 HA LYS 14 HA LYS 14 21.467 -5.443 -1.640 111 HB2 LYS 14 2HB LYS 14 22.805 -4.405 -3.482 112 HB3 LYS 14 1HB LYS 14 21.342 -4.361 -4.457 113 HG2 LYS 14 2HG LYS 14 21.653 -2.205 -3.523 114 HG3 LYS 14 1HG LYS 14 20.296 -2.957 -2.678 115 HD2 LYS 14 2HD LYS 14 21.737 -1.858 -1.084 116 HD3 LYS 14 1HD LYS 14 21.834 -3.600 -0.857 117 HE2 LYS 14 2HE LYS 14 23.930 -3.679 -2.052 118 HE3 LYS 14 1HE LYS 14 23.813 -1.963 -2.434 119 HZ1 LYS 14 1HZ LYS 14 24.090 -3.121 0.288 120 HZ2 LYS 14 2HZ LYS 14 23.956 -1.466 -0.073 121 HZ3 LYS 14 3HZ LYS 14 25.313 -2.339 -0.595 122 H LEU 15 H LEU 15 19.751 -5.960 -4.715 123 HA LEU 15 HA LEU 15 17.351 -4.725 -3.901 124 HG LEU 15 HG LEU 15 19.121 -4.641 -6.422 125 HB2 LEU 15 2HB LEU 15 17.871 -6.741 -6.082 126 HB3 LEU 15 1HB LEU 15 16.387 -5.822 -5.907 127 HD11 LEU 15 1HD1 LEU 15 18.255 -5.880 -8.341 128 HD12 LEU 15 2HD1 LEU 15 18.261 -4.144 -8.646 129 HD13 LEU 15 3HD1 LEU 15 16.749 -4.965 -8.256 130 HD21 LEU 15 1HD2 LEU 15 17.911 -2.548 -6.764 131 HD22 LEU 15 2HD2 LEU 15 17.674 -3.159 -5.125 132 HD23 LEU 15 3HD2 LEU 15 16.397 -3.344 -6.329 133 H ASN 16 H ASN 16 18.356 -8.121 -3.936 134 HA ASN 16 HA ASN 16 15.889 -9.269 -3.237 135 HB2 ASN 16 2HB ASN 16 17.857 -10.550 -4.065 136 HB3 ASN 16 1HB ASN 16 18.657 -10.274 -2.524 137 HD21 ASN 16 1HD2 ASN 16 16.143 -11.994 -4.185 138 HD22 ASN 16 2HD2 ASN 16 15.810 -13.122 -2.917 139 H ALA 17 H ALA 17 18.593 -8.171 -1.230 140 HA ALA 17 HA ALA 17 17.460 -8.898 1.252 141 HB1 ALA 17 1HB ALA 17 19.155 -7.467 2.251 142 HB2 ALA 17 2HB ALA 17 19.479 -6.729 0.682 143 HB3 ALA 17 3HB ALA 17 19.852 -8.431 0.949 144 H GLN 18 H GLN 18 17.404 -5.893 -0.610 145 HA GLN 18 HA GLN 18 16.081 -4.306 1.293 146 HB2 GLN 18 2HB GLN 18 17.274 -3.397 -0.658 147 HB3 GLN 18 1HB GLN 18 16.046 -4.075 -1.718 148 HG2 GLN 18 2HG GLN 18 14.370 -2.626 -0.772 149 HG3 GLN 18 1HG GLN 18 15.530 -2.009 0.405 150 HE21 GLN 18 1HE2 GLN 18 17.170 -0.624 -0.276 151 HE22 GLN 18 2HE2 GLN 18 17.077 0.213 -1.787 152 H ALA 19 H ALA 19 14.821 -6.189 -1.446 153 HA ALA 19 HA ALA 19 12.113 -5.561 -1.103 154 HB1 ALA 19 1HB ALA 19 11.647 -7.548 -2.437 155 HB2 ALA 19 2HB ALA 19 13.302 -8.108 -2.195 156 HB3 ALA 19 3HB ALA 19 12.996 -6.636 -3.119 157 H THR 20 H THR 20 14.117 -8.093 0.340 158 HA THR 20 HA THR 20 12.013 -9.450 1.667 159 HB THR 20 HB THR 20 14.935 -9.345 2.450 160 HG1 THR 20 1HG THR 20 14.805 -10.091 0.352 161 HG21 THR 20 1HG2 THR 20 14.499 -11.535 3.469 162 HG22 THR 20 2HG2 THR 20 12.797 -11.406 3.025 163 HG23 THR 20 3HG2 THR 20 13.491 -10.285 4.199 164 H ALA 21 H ALA 21 14.191 -6.844 2.620 165 HA ALA 21 HA ALA 21 13.442 -6.638 5.317 166 HB1 ALA 21 1HB ALA 21 15.429 -5.545 4.363 167 HB2 ALA 21 2HB ALA 21 14.408 -4.418 5.256 168 HB3 ALA 21 3HB ALA 21 14.376 -4.426 3.494 169 H LEU 22 H LEU 22 12.214 -4.935 2.448 170 HA LEU 22 HA LEU 22 10.242 -3.465 3.878 171 HG LEU 22 HG LEU 22 10.730 -1.543 0.791 172 HB2 LEU 22 2HB LEU 22 10.830 -3.989 1.001 173 HB3 LEU 22 1HB LEU 22 9.257 -3.346 1.428 174 HD11 LEU 22 1HD1 LEU 22 10.582 -0.145 2.796 175 HD12 LEU 22 2HD1 LEU 22 10.248 -1.581 3.763 176 HD13 LEU 22 3HD1 LEU 22 9.104 -1.069 2.523 177 HD21 LEU 22 1HD2 LEU 22 12.744 -1.012 2.081 178 HD22 LEU 22 2HD2 LEU 22 12.872 -2.572 1.270 179 HD23 LEU 22 3HD2 LEU 22 12.540 -2.502 3.000 180 H LYS 23 H LYS 23 10.275 -6.595 2.285 181 HA LYS 23 HA LYS 23 7.555 -7.152 2.196 182 HB2 LYS 23 2HB LYS 23 9.257 -8.641 1.236 183 HB3 LYS 23 1HB LYS 23 9.818 -9.056 2.848 184 HG2 LYS 23 2HG LYS 23 7.584 -9.996 3.336 185 HG3 LYS 23 1HG LYS 23 7.122 -9.678 1.666 186 HD2 LYS 23 2HD LYS 23 9.360 -11.488 2.578 187 HD3 LYS 23 1HD LYS 23 7.787 -12.008 1.973 188 HE2 LYS 23 2HE LYS 23 8.323 -10.820 -0.166 189 HE3 LYS 23 1HE LYS 23 9.951 -10.559 0.458 190 HZ1 LYS 23 1HZ LYS 23 10.039 -12.488 -0.870 191 HZ2 LYS 23 2HZ LYS 23 8.633 -13.132 -0.186 192 HZ3 LYS 23 3HZ LYS 23 10.056 -13.050 0.735 193 H MET 24 H MET 24 9.850 -7.663 4.851 194 HA MET 24 HA MET 24 7.939 -8.745 6.648 195 HB2 MET 24 2HB MET 24 10.631 -7.467 7.146 196 HB3 MET 24 1HB MET 24 9.684 -8.285 8.381 197 HG2 MET 24 2HG MET 24 9.829 -10.365 7.162 198 HG3 MET 24 1HG MET 24 10.702 -9.565 5.857 199 HE1 MET 24 1HE MET 24 11.650 -12.224 7.468 200 HE2 MET 24 2HE MET 24 13.378 -11.890 7.578 201 HE3 MET 24 3HE MET 24 12.505 -11.534 6.087 202 H ASP 25 H ASP 25 9.137 -5.511 6.008 203 HA ASP 25 HA ASP 25 8.042 -4.235 8.280 204 HB2 ASP 25 2HB ASP 25 9.824 -3.317 6.715 205 HB3 ASP 25 1HB ASP 25 8.529 -2.960 5.579 206 H LEU 26 H LEU 26 6.858 -4.502 4.931 207 HA LEU 26 HA LEU 26 4.419 -3.138 5.417 208 HG LEU 26 HG LEU 26 2.671 -4.642 3.337 209 HB2 LEU 26 2HB LEU 26 5.415 -3.388 3.181 210 HB3 LEU 26 1HB LEU 26 5.109 -5.113 3.239 211 HD11 LEU 26 1HD1 LEU 26 3.530 -1.793 2.841 212 HD12 LEU 26 2HD1 LEU 26 2.778 -2.408 4.314 213 HD13 LEU 26 3HD1 LEU 26 1.874 -2.399 2.799 214 HD21 LEU 26 1HD2 LEU 26 4.118 -3.430 0.983 215 HD22 LEU 26 2HD2 LEU 26 2.451 -4.009 0.992 216 HD23 LEU 26 3HD2 LEU 26 3.783 -5.145 1.217 217 H HIS 27 H HIS 27 5.310 -6.561 5.416 218 HA HIS 27 HA HIS 27 2.726 -7.634 5.638 219 HD1 HIS 27 1HD HIS 27 3.174 -10.875 4.640 220 HD2 HIS 27 2HD HIS 27 3.648 -10.151 8.711 221 HE1 HIS 27 1HE HIS 27 2.034 -12.788 5.812 222 HE2 HIS 27 2HE HIS 27 2.221 -12.260 8.269 223 HB2 HIS 27 2HB HIS 27 4.750 -8.974 5.109 224 HB3 HIS 27 1HB HIS 27 5.301 -8.767 6.768 225 H ASP 28 H ASP 28 5.016 -6.545 8.101 226 HA ASP 28 HA ASP 28 3.527 -7.463 10.326 227 HB2 ASP 28 2HB ASP 28 5.972 -6.834 10.306 228 HB3 ASP 28 1HB ASP 28 5.466 -5.147 10.280 229 H LEU 29 H LEU 29 3.685 -4.359 8.642 230 HA LEU 29 HA LEU 29 1.977 -2.976 10.437 231 HG LEU 29 HG LEU 29 0.720 -1.006 8.381 232 HB2 LEU 29 2HB LEU 29 3.570 -1.846 8.938 233 HB3 LEU 29 1HB LEU 29 2.626 -2.361 7.553 234 HD11 LEU 29 1HD1 LEU 29 2.707 -0.050 10.439 235 HD12 LEU 29 2HD1 LEU 29 1.296 -1.057 10.761 236 HD13 LEU 29 3HD1 LEU 29 1.084 0.596 10.180 237 HD21 LEU 29 1HD2 LEU 29 3.313 0.499 8.039 238 HD22 LEU 29 2HD2 LEU 29 1.694 1.166 7.825 239 HD23 LEU 29 3HD2 LEU 29 2.279 -0.092 6.738 240 H ALA 30 H ALA 30 1.414 -4.788 7.457 241 HA ALA 30 HA ALA 30 -1.345 -4.102 7.239 242 HB1 ALA 30 1HB ALA 30 0.116 -6.486 6.104 243 HB2 ALA 30 2HB ALA 30 -0.061 -4.916 5.318 244 HB3 ALA 30 3HB ALA 30 -1.483 -5.918 5.617 245 H GLU 31 H GLU 31 0.443 -6.574 8.925 246 HA GLU 31 HA GLU 31 -1.785 -8.164 9.692 247 HB2 GLU 31 2HB GLU 31 0.685 -8.801 9.761 248 HB3 GLU 31 1HB GLU 31 0.798 -7.834 11.224 249 HG2 GLU 31 2HG GLU 31 0.557 -10.127 11.831 250 HG3 GLU 31 1HG GLU 31 -0.929 -9.276 12.255 251 H ASP 32 H ASP 32 -0.084 -5.416 11.111 252 HA ASP 32 HA ASP 32 -2.095 -5.279 13.247 253 HB2 ASP 32 2HB ASP 32 0.402 -5.227 13.783 254 HB3 ASP 32 1HB ASP 32 0.422 -3.626 13.052 255 H LEU 33 H LEU 33 -3.462 -4.650 11.327 256 HA LEU 33 HA LEU 33 -3.178 -2.097 10.181 257 HG LEU 33 HG LEU 33 -3.601 -3.825 8.206 258 HB2 LEU 33 2HB LEU 33 -5.127 -4.260 10.060 259 HB3 LEU 33 1HB LEU 33 -5.836 -2.663 9.874 260 HD11 LEU 33 1HD1 LEU 33 -5.793 -4.752 7.680 261 HD12 LEU 33 2HD1 LEU 33 -5.203 -3.712 6.382 262 HD13 LEU 33 3HD1 LEU 33 -6.440 -3.120 7.492 263 HD21 LEU 33 1HD2 LEU 33 -3.284 -1.419 8.551 264 HD22 LEU 33 2HD2 LEU 33 -4.942 -1.123 8.030 265 HD23 LEU 33 3HD2 LEU 33 -3.762 -1.766 6.889 266 HA PRO 34 HA PRO 34 -4.862 1.478 11.162 267 HB2 PRO 34 2HB PRO 34 -6.568 0.295 13.338 268 HB3 PRO 34 1HB PRO 34 -6.704 1.885 12.564 269 HG2 PRO 34 2HG PRO 34 -7.958 -0.457 11.655 270 HG3 PRO 34 1HG PRO 34 -7.709 1.015 10.698 271 HD2 PRO 34 2HD PRO 34 -6.568 -1.489 10.133 272 HD3 PRO 34 1HD PRO 34 -5.955 0.069 9.522 273 H THR 35 H THR 35 -4.892 2.520 13.697 274 HA THR 35 HA THR 35 -3.382 3.312 15.194 275 HB THR 35 HB THR 35 -1.831 0.737 14.901 276 HG1 THR 35 1HG THR 35 -3.347 -0.218 16.008 277 HG21 THR 35 1HG2 THR 35 -1.090 1.262 17.192 278 HG22 THR 35 2HG2 THR 35 -2.000 2.773 17.125 279 HG23 THR 35 3HG2 THR 35 -0.631 2.520 16.043 280 H GLY 36 H GLY 36 -1.635 1.403 12.736 281 HA2 GLY 36 2HA GLY 36 0.061 3.776 12.256 282 HA3 GLY 36 1HA GLY 36 0.569 2.118 11.981 283 H TRP 37 H TRP 37 -2.609 3.102 10.991 284 HA TRP 37 HA TRP 37 -2.343 2.347 8.341 285 HD1 TRP 37 HD TRP 37 -4.442 6.053 7.662 286 HE1 TRP 37 1HE TRP 37 -5.230 7.930 9.244 287 HE3 TRP 37 3HE TRP 37 -4.708 3.384 12.022 288 HZ2 TRP 37 2HZ TRP 37 -5.878 8.230 11.967 289 HZ3 TRP 37 3HZ TRP 37 -5.423 4.544 14.069 290 HH2 TRP 37 HH TRP 37 -5.997 6.916 14.042 291 HB2 TRP 37 2HB TRP 37 -4.472 3.359 7.936 292 HB3 TRP 37 1HB TRP 37 -4.513 2.719 9.571 293 H ASN 38 H ASN 38 -1.444 5.264 9.907 294 HA ASN 38 HA ASN 38 -1.450 7.057 7.764 295 HB2 ASN 38 2HB ASN 38 -1.255 7.926 9.962 296 HB3 ASN 38 1HB ASN 38 0.140 6.918 10.321 297 HD21 ASN 38 1HD2 ASN 38 -0.981 9.768 8.652 298 HD22 ASN 38 2HD2 ASN 38 0.580 10.476 8.414 299 H ARG 39 H ARG 39 0.712 4.434 8.498 300 HA ARG 39 HA ARG 39 2.708 5.602 6.664 301 HE ARG 39 HE ARG 39 7.386 4.467 7.359 302 HB2 ARG 39 2HB ARG 39 3.388 4.939 9.028 303 HB3 ARG 39 1HB ARG 39 3.187 3.270 8.513 304 HG2 ARG 39 2HG ARG 39 4.832 3.682 6.706 305 HG3 ARG 39 1HG ARG 39 5.100 5.292 7.371 306 HD2 ARG 39 2HD ARG 39 5.832 4.285 9.484 307 HD3 ARG 39 1HD ARG 39 5.580 2.678 8.796 308 HH11 ARG 39 1HH1 ARG 39 6.989 1.719 9.512 309 HH12 ARG 39 2HH1 ARG 39 8.631 1.174 9.317 310 HH21 ARG 39 1HH2 ARG 39 9.535 3.734 7.108 311 HH22 ARG 39 2HH2 ARG 39 10.064 2.310 7.951 312 H ILE 40 H ILE 40 0.166 3.641 6.381 313 HA ILE 40 HA ILE 40 1.028 1.217 5.346 314 HB ILE 40 HB ILE 40 -1.388 2.856 4.593 315 HG12 ILE 40 2HG1 ILE 40 -1.062 0.408 6.344 316 HG13 ILE 40 1HG1 ILE 40 -1.291 2.055 6.923 317 HG21 ILE 40 1HG2 ILE 40 -2.314 0.838 3.571 318 HG22 ILE 40 2HG2 ILE 40 -0.792 -0.007 3.850 319 HG23 ILE 40 3HG2 ILE 40 -0.849 1.363 2.739 320 HD11 ILE 40 1HD1 ILE 40 -3.349 0.771 7.035 321 HD12 ILE 40 2HD1 ILE 40 -3.264 0.464 5.301 322 HD13 ILE 40 3HD1 ILE 40 -3.499 2.108 5.895 323 H MET 41 H MET 41 0.408 4.223 3.536 324 HA MET 41 HA MET 41 1.155 3.104 1.033 325 HB2 MET 41 2HB MET 41 -0.300 5.073 1.191 326 HB3 MET 41 1HB MET 41 1.023 6.008 1.874 327 HG2 MET 41 2HG MET 41 2.287 5.716 -0.209 328 HG3 MET 41 1HG MET 41 0.936 4.809 -0.887 329 HE1 MET 41 1HE MET 41 -1.434 5.872 -1.451 330 HE2 MET 41 2HE MET 41 -1.857 7.552 -1.115 331 HE3 MET 41 3HE MET 41 -1.583 6.428 0.216 332 H GLU 42 H GLU 42 2.878 5.041 3.430 333 HA GLU 42 HA GLU 42 5.177 5.632 1.961 334 HB2 GLU 42 2HB GLU 42 4.372 6.495 4.256 335 HB3 GLU 42 1HB GLU 42 5.148 5.077 4.929 336 HG2 GLU 42 2HG GLU 42 6.788 6.772 3.152 337 HG3 GLU 42 1HG GLU 42 6.346 7.445 4.716 338 H VAL 43 H VAL 43 4.573 2.898 4.173 339 HA VAL 43 HA VAL 43 7.029 1.597 3.718 340 HB VAL 43 HB VAL 43 4.364 0.342 4.418 341 HG11 VAL 43 1HG1 VAL 43 5.930 -1.305 3.557 342 HG12 VAL 43 2HG1 VAL 43 5.705 -1.514 5.295 343 HG13 VAL 43 3HG1 VAL 43 7.168 -0.741 4.681 344 HG21 VAL 43 1HG2 VAL 43 6.633 1.255 6.185 345 HG22 VAL 43 2HG2 VAL 43 5.175 0.420 6.722 346 HG23 VAL 43 3HG2 VAL 43 5.060 2.037 6.027 347 H ALA 44 H ALA 44 3.868 1.201 2.146 348 HA ALA 44 HA ALA 44 4.570 -0.890 0.416 349 HB1 ALA 44 1HB ALA 44 2.255 -0.246 0.877 350 HB2 ALA 44 2HB ALA 44 2.585 -0.303 -0.854 351 HB3 ALA 44 3HB ALA 44 2.493 1.252 -0.026 352 H GLU 45 H GLU 45 4.904 2.598 0.067 353 HA GLU 45 HA GLU 45 5.516 2.892 -2.589 354 HB2 GLU 45 2HB GLU 45 6.597 4.223 -0.117 355 HB3 GLU 45 1HB GLU 45 7.088 4.730 -1.712 356 HG2 GLU 45 2HG GLU 45 4.724 5.200 -2.254 357 HG3 GLU 45 1HG GLU 45 4.309 4.784 -0.590 358 H LYS 46 H LYS 46 7.906 2.384 -0.007 359 HA LYS 46 HA LYS 46 9.997 1.938 -1.895 360 HB2 LYS 46 2HB LYS 46 9.797 1.871 1.075 361 HB3 LYS 46 1HB LYS 46 11.160 1.057 0.319 362 HG2 LYS 46 2HG LYS 46 11.814 3.282 0.912 363 HG3 LYS 46 1HG LYS 46 11.725 3.167 -0.844 364 HD2 LYS 46 2HD LYS 46 10.748 5.247 -0.204 365 HD3 LYS 46 1HD LYS 46 9.434 4.177 -0.702 366 HE2 LYS 46 2HE LYS 46 8.974 3.657 1.641 367 HE3 LYS 46 1HE LYS 46 10.294 4.713 2.139 368 HZ1 LYS 46 1HZ LYS 46 8.282 5.893 2.383 369 HZ2 LYS 46 2HZ LYS 46 7.752 5.504 0.824 370 HZ3 LYS 46 3HZ LYS 46 9.061 6.559 1.032 371 H THR 47 H THR 47 7.773 -0.116 -0.179 372 HA THR 47 HA THR 47 9.071 -2.575 -0.574 373 HB THR 47 HB THR 47 6.090 -2.044 -0.497 374 HG1 THR 47 1HG THR 47 7.023 -1.311 1.402 375 HG21 THR 47 1HG2 THR 47 7.651 -4.572 0.059 376 HG22 THR 47 2HG2 THR 47 6.641 -4.278 -1.355 377 HG23 THR 47 3HG2 THR 47 5.909 -4.369 0.247 378 H TYR 48 H TYR 48 6.539 -0.995 -2.537 379 HA TYR 48 HA TYR 48 6.596 -2.920 -4.602 380 HD1 TYR 48 2HD TYR 48 4.450 -3.098 -6.360 381 HD2 TYR 48 1HD TYR 48 6.004 0.851 -6.710 382 HE1 TYR 48 2HE TYR 48 4.037 -3.153 -8.784 383 HE2 TYR 48 1HE TYR 48 5.599 0.798 -9.134 384 HH TYR 48 HH TYR 48 3.753 -1.702 -10.640 385 HB2 TYR 48 2HB TYR 48 4.664 -1.511 -4.365 386 HB3 TYR 48 1HB TYR 48 5.635 -0.057 -4.568 387 H GLU 49 H GLU 49 8.186 0.252 -4.255 388 HA GLU 49 HA GLU 49 9.378 0.308 -6.776 389 HB2 GLU 49 2HB GLU 49 10.053 1.567 -4.147 390 HB3 GLU 49 1HB GLU 49 11.125 1.757 -5.525 391 HG2 GLU 49 2HG GLU 49 8.221 2.540 -5.425 392 HG3 GLU 49 1HG GLU 49 9.599 3.637 -5.344 393 H ALA 50 H ALA 50 10.382 -1.320 -3.825 394 HA ALA 50 HA ALA 50 12.970 -2.060 -4.702 395 HB1 ALA 50 1HB ALA 50 12.919 -3.712 -2.911 396 HB2 ALA 50 2HB ALA 50 11.184 -3.461 -2.714 397 HB3 ALA 50 3HB ALA 50 12.311 -2.156 -2.342 398 H TYR 51 H TYR 51 9.902 -3.891 -4.659 399 HA TYR 51 HA TYR 51 10.829 -6.134 -6.054 400 HD1 TYR 51 1HD TYR 51 9.730 -8.208 -5.247 401 HD2 TYR 51 2HD TYR 51 7.387 -5.028 -3.671 402 HE1 TYR 51 1HE TYR 51 9.465 -9.451 -3.140 403 HE2 TYR 51 2HE TYR 51 7.122 -6.259 -1.563 404 HH TYR 51 HH TYR 51 7.234 -8.468 -0.705 405 HB2 TYR 51 2HB TYR 51 8.081 -4.906 -5.857 406 HB3 TYR 51 1HB TYR 51 8.391 -6.411 -6.705 407 H ARG 52 H ARG 52 9.494 -3.083 -7.166 408 HA ARG 52 HA ARG 52 9.218 -3.643 -9.881 409 HE ARG 52 HE ARG 52 9.101 0.782 -12.453 410 HB2 ARG 52 2HB ARG 52 8.308 -1.637 -8.874 411 HB3 ARG 52 1HB ARG 52 9.921 -1.068 -8.468 412 HG2 ARG 52 2HG ARG 52 10.438 -0.854 -10.849 413 HG3 ARG 52 1HG ARG 52 8.805 -1.400 -11.243 414 HD2 ARG 52 2HD ARG 52 7.867 0.509 -10.058 415 HD3 ARG 52 1HD ARG 52 9.488 1.039 -9.611 416 HH11 ARG 52 1HH1 ARG 52 8.782 2.896 -9.666 417 HH12 ARG 52 2HH1 ARG 52 8.804 4.347 -10.621 418 HH21 ARG 52 1HH2 ARG 52 9.132 2.688 -13.694 419 HH22 ARG 52 2HH2 ARG 52 8.991 4.235 -12.908 420 H GLN 53 H GLN 53 11.963 -2.057 -8.236 421 HA GLN 53 HA GLN 53 13.631 -1.996 -10.513 422 HB2 GLN 53 2HB GLN 53 13.936 -0.610 -8.455 423 HB3 GLN 53 1HB GLN 53 14.471 -2.049 -7.605 424 HG2 GLN 53 2HG GLN 53 16.380 -0.758 -8.262 425 HG3 GLN 53 1HG GLN 53 16.348 -2.260 -9.184 426 HE21 GLN 53 1HE2 GLN 53 15.942 1.189 -9.302 427 HE22 GLN 53 2HE2 GLN 53 16.014 1.343 -11.020 428 H LEU 54 H LEU 54 13.180 -4.371 -7.950 429 HA LEU 54 HA LEU 54 15.336 -6.057 -8.607 430 HG LEU 54 HG LEU 54 15.531 -7.922 -7.027 431 HB2 LEU 54 2HB LEU 54 13.830 -6.078 -6.530 432 HB3 LEU 54 1HB LEU 54 12.698 -6.997 -7.498 433 HD11 LEU 54 1HD1 LEU 54 14.623 -9.360 -5.259 434 HD12 LEU 54 2HD1 LEU 54 13.061 -8.556 -5.419 435 HD13 LEU 54 3HD1 LEU 54 14.466 -7.649 -4.862 436 HD21 LEU 54 1HD2 LEU 54 14.599 -10.118 -7.568 437 HD22 LEU 54 2HD2 LEU 54 14.359 -8.981 -8.894 438 HD23 LEU 54 3HD2 LEU 54 13.015 -9.388 -7.826 439 H ASP 55 H ASP 55 11.924 -6.098 -9.634 440 HA ASP 55 HA ASP 55 12.267 -8.365 -11.330 441 HB2 ASP 55 2HB ASP 55 10.080 -7.776 -10.379 442 HB3 ASP 55 1HB ASP 55 10.069 -6.289 -11.319 443 H GLU 56 H GLU 56 12.464 -4.892 -11.811 444 HA GLU 56 HA GLU 56 12.674 -4.917 -14.628 445 HB2 GLU 56 2HB GLU 56 13.586 -3.022 -12.484 446 HB3 GLU 56 1HB GLU 56 14.029 -2.741 -14.159 447 HG2 GLU 56 2HG GLU 56 11.220 -2.992 -13.111 448 HG3 GLU 56 1HG GLU 56 12.044 -1.481 -13.499 449 H PHE 57 H PHE 57 15.082 -5.151 -12.060 450 HA PHE 57 HA PHE 57 17.328 -5.466 -13.771 451 HD1 PHE 57 2HD PHE 57 19.527 -4.827 -13.092 452 HD2 PHE 57 1HD PHE 57 18.583 -7.799 -10.206 453 HE1 PHE 57 2HE PHE 57 21.882 -5.529 -13.055 454 HE2 PHE 57 1HE PHE 57 20.936 -8.509 -10.161 455 HZ PHE 57 HZ PHE 57 22.590 -7.370 -11.584 456 HB2 PHE 57 2HB PHE 57 17.440 -4.790 -11.378 457 HB3 PHE 57 1HB PHE 57 16.939 -6.412 -10.921 458 H ARG 58 H ARG 58 15.091 -7.653 -12.203 459 HA ARG 58 HA ARG 58 16.148 -10.141 -12.878 460 HE ARG 58 HE ARG 58 12.223 -13.549 -11.996 461 HB2 ARG 58 2HB ARG 58 14.291 -9.805 -11.335 462 HB3 ARG 58 1HB ARG 58 13.288 -9.185 -12.631 463 HG2 ARG 58 2HG ARG 58 13.367 -11.435 -13.686 464 HG3 ARG 58 1HG ARG 58 14.225 -12.017 -12.251 465 HD2 ARG 58 2HD ARG 58 12.359 -11.261 -10.845 466 HD3 ARG 58 1HD ARG 58 11.502 -10.719 -12.284 467 HH11 ARG 58 1HH1 ARG 58 9.818 -11.019 -12.281 468 HH12 ARG 58 2HH1 ARG 58 8.480 -12.129 -12.417 469 HH21 ARG 58 1HH2 ARG 58 10.481 -15.019 -12.137 470 HH22 ARG 58 2HH2 ARG 58 8.858 -14.418 -12.313 471 H LYS 59 H LYS 59 13.860 -8.088 -14.651 472 HA LYS 59 HA LYS 59 13.611 -9.601 -16.985 473 HB2 LYS 59 2HB LYS 59 12.180 -7.702 -16.537 474 HB3 LYS 59 1HB LYS 59 13.555 -6.611 -16.542 475 HG2 LYS 59 2HG LYS 59 13.881 -7.311 -18.972 476 HG3 LYS 59 1HG LYS 59 12.255 -7.993 -18.862 477 HD2 LYS 59 2HD LYS 59 11.403 -5.800 -18.152 478 HD3 LYS 59 1HD LYS 59 13.026 -5.129 -18.306 479 HE2 LYS 59 2HE LYS 59 12.982 -5.805 -20.713 480 HE3 LYS 59 1HE LYS 59 11.285 -6.232 -20.501 481 HZ1 LYS 59 1HZ LYS 59 11.407 -4.027 -21.371 482 HZ2 LYS 59 2HZ LYS 59 12.504 -3.550 -20.177 483 HZ3 LYS 59 3HZ LYS 59 10.903 -3.912 -19.753 484 H SER 60 H SER 60 15.912 -7.029 -16.169 485 HA SER 60 HA SER 60 17.223 -6.938 -18.636 486 HG SER 60 HG SER 60 19.588 -6.281 -18.163 487 HB2 SER 60 2HB SER 60 17.384 -5.180 -16.899 488 HB3 SER 60 1HB SER 60 18.359 -6.270 -15.915 489 H THR 61 H THR 61 17.993 -8.794 -15.709 490 HA THR 61 HA THR 61 20.359 -9.888 -16.875 491 HB THR 61 HB THR 61 20.151 -9.683 -14.430 492 HG1 THR 61 1HG THR 61 20.485 -12.320 -15.452 493 HG21 THR 61 1HG2 THR 61 18.816 -11.268 -13.152 494 HG22 THR 61 2HG2 THR 61 18.153 -11.935 -14.645 495 HG23 THR 61 3HG2 THR 61 17.785 -10.272 -14.182 496 H ALA 62 H ALA 62 16.992 -10.834 -16.792 497 HA ALA 62 HA ALA 62 17.263 -13.537 -17.489 498 HB1 ALA 62 1HB ALA 62 15.039 -11.652 -18.270 499 HB2 ALA 62 2HB ALA 62 15.152 -12.528 -16.744 500 HB3 ALA 62 3HB ALA 62 14.960 -13.415 -18.256 501 H SER 63 H SER 63 17.062 -10.631 -19.505 502 HA SER 63 HA SER 63 17.149 -12.032 -21.976 503 HG SER 63 HG SER 63 18.421 -9.109 -20.515 504 HB2 SER 63 2HB SER 63 17.825 -9.690 -22.840 505 HB3 SER 63 1HB SER 63 16.234 -9.883 -22.111 506 H LEU 64 H LEU 64 19.551 -11.141 -19.694 507 HA LEU 64 HA LEU 64 21.725 -11.389 -21.609 508 HG LEU 64 HG LEU 64 23.123 -8.806 -19.419 509 HB2 LEU 64 2HB LEU 64 21.490 -10.508 -18.790 510 HB3 LEU 64 1HB LEU 64 23.014 -11.236 -19.258 511 HD11 LEU 64 1HD1 LEU 64 23.874 -8.618 -21.750 512 HD12 LEU 64 2HD1 LEU 64 23.142 -10.187 -22.089 513 HD13 LEU 64 3HD1 LEU 64 24.481 -10.066 -20.948 514 HD21 LEU 64 1HD2 LEU 64 20.761 -8.352 -19.849 515 HD22 LEU 64 2HD2 LEU 64 20.918 -9.052 -21.460 516 HD23 LEU 64 3HD2 LEU 64 21.795 -7.578 -21.050 517 H GLU 65 H GLU 65 20.160 -13.267 -19.128 518 HA GLU 65 HA GLU 65 22.182 -15.202 -18.778 519 HB2 GLU 65 2HB GLU 65 19.232 -15.173 -18.234 520 HB3 GLU 65 1HB GLU 65 20.227 -16.564 -17.895 521 HG2 GLU 65 2HG GLU 65 21.599 -15.148 -16.390 522 HG3 GLU 65 1HG GLU 65 20.436 -13.846 -16.654 523 H HIS 66 H HIS 66 20.122 -14.643 -21.358 524 HA HIS 66 HA HIS 66 19.154 -15.887 -23.020 525 HD1 HIS 66 1HD HIS 66 22.286 -18.254 -25.145 526 HD2 HIS 66 2HD HIS 66 18.220 -18.119 -24.283 527 HE1 HIS 66 1HE HIS 66 21.137 -19.299 -27.123 528 HE2 HIS 66 2HE HIS 66 18.673 -19.003 -26.669 529 HB2 HIS 66 2HB HIS 66 21.615 -16.630 -23.204 530 HB3 HIS 66 1HB HIS 66 21.135 -18.063 -22.308 531 H HIS 67 H HIS 67 17.886 -15.800 -20.702 532 HA HIS 67 HA HIS 67 17.674 -18.128 -19.153 533 HD1 HIS 67 1HD HIS 67 17.179 -16.326 -16.111 534 HD2 HIS 67 2HD HIS 67 13.981 -18.115 -18.103 535 HE1 HIS 67 1HE HIS 67 15.790 -17.442 -14.328 536 HE2 HIS 67 2HE HIS 67 13.769 -18.355 -15.537 537 HB2 HIS 67 2HB HIS 67 17.110 -15.724 -18.525 538 HB3 HIS 67 1HB HIS 67 15.579 -15.966 -19.353 539 H HIS 68 H HIS 68 16.111 -17.259 -22.121 540 HA HIS 68 HA HIS 68 14.604 -18.340 -23.448 541 HD1 HIS 68 1HD HIS 68 15.177 -21.215 -25.182 542 HD2 HIS 68 2HD HIS 68 12.415 -21.611 -22.094 543 HE1 HIS 68 1HE HIS 68 13.381 -22.737 -26.064 544 HE2 HIS 68 2HE HIS 68 11.669 -22.886 -24.223 545 HB2 HIS 68 2HB HIS 68 16.017 -20.315 -22.978 546 HB3 HIS 68 1HB HIS 68 15.069 -20.652 -21.538 547 H HIS 69 H HIS 69 12.904 -16.991 -22.970 548 HA HIS 69 HA HIS 69 10.941 -16.235 -22.127 549 HD1 HIS 69 1HD HIS 69 9.787 -20.658 -22.791 550 HD2 HIS 69 2HD HIS 69 9.364 -16.691 -23.977 551 HE1 HIS 69 1HE HIS 69 8.933 -20.743 -25.156 552 HE2 HIS 69 2HE HIS 69 8.820 -18.335 -25.902 553 HB2 HIS 69 2HB HIS 69 10.687 -19.070 -21.107 554 HB3 HIS 69 1HB HIS 69 9.418 -17.861 -20.964 555 H HIS 70 H HIS 70 10.345 -15.029 -20.345 556 HA HIS 70 HA HIS 70 12.287 -15.187 -18.192 557 HD1 HIS 70 1HD HIS 70 9.776 -12.510 -20.724 558 HD2 HIS 70 2HD HIS 70 8.916 -12.549 -16.650 559 HE1 HIS 70 1HE HIS 70 7.485 -11.501 -20.498 560 HE2 HIS 70 2HE HIS 70 7.024 -11.435 -18.019 561 HB2 HIS 70 2HB HIS 70 11.551 -13.005 -17.472 562 HB3 HIS 70 1HB HIS 70 11.826 -12.979 -19.203 563 H HIS 71 H HIS 71 11.842 -16.786 -16.861 564 HA HIS 71 HA HIS 71 9.879 -16.262 -14.880 565 HD1 HIS 71 1HD HIS 71 8.813 -18.406 -18.647 566 HD2 HIS 71 2HD HIS 71 10.394 -20.708 -15.560 567 HE1 HIS 71 1HE HIS 71 9.559 -20.561 -19.713 568 HE2 HIS 71 2HE HIS 71 10.528 -21.934 -17.836 569 HB2 HIS 71 2HB HIS 71 8.703 -18.440 -14.985 570 HB3 HIS 71 1HB HIS 71 8.374 -17.424 -16.377 571 HA MET 1 HA MET 1 -25.869 21.615 1.219 572 H1 MET 1 1H MET 1 -28.177 22.780 -0.220 573 H2 MET 1 2H MET 1 -27.498 21.242 -0.453 574 H3 MET 1 3H MET 1 -26.613 22.628 -0.857 575 HB2 MET 1 2HB MET 1 -25.527 24.007 0.898 576 HB3 MET 1 1HB MET 1 -27.157 24.345 1.468 577 HG2 MET 1 2HG MET 1 -26.545 23.439 3.676 578 HG3 MET 1 1HG MET 1 -24.904 23.176 3.092 579 HE1 MET 1 1HE MET 1 -24.016 24.544 5.201 580 HE2 MET 1 2HE MET 1 -25.679 24.807 5.725 581 HE3 MET 1 3HE MET 1 -24.570 26.171 5.602 582 H SER 2 H SER 2 -26.465 20.372 2.844 583 HA SER 2 HA SER 2 -28.869 21.023 4.364 584 HG SER 2 HG SER 2 -30.698 19.468 2.562 585 HB2 SER 2 2HB SER 2 -28.383 18.224 3.327 586 HB3 SER 2 1HB SER 2 -29.746 18.768 4.297 587 H GLU 3 H GLU 3 -28.595 20.647 6.498 588 HA GLU 3 HA GLU 3 -26.246 19.060 7.275 589 HB2 GLU 3 2HB GLU 3 -26.272 20.296 9.423 590 HB3 GLU 3 1HB GLU 3 -25.962 21.315 8.032 591 HG2 GLU 3 2HG GLU 3 -28.234 22.146 8.095 592 HG3 GLU 3 1HG GLU 3 -28.611 21.063 9.435 593 H GLY 4 H GLY 4 -26.796 17.128 7.812 594 HA2 GLY 4 2HA GLY 4 -28.700 16.569 9.851 595 HA3 GLY 4 1HA GLY 4 -29.334 16.154 8.263 596 H ALA 5 H ALA 5 -28.773 14.363 10.422 597 HA ALA 5 HA ALA 5 -26.265 13.085 10.077 598 HB1 ALA 5 1HB ALA 5 -27.175 11.357 11.538 599 HB2 ALA 5 2HB ALA 5 -28.787 12.048 11.358 600 HB3 ALA 5 3HB ALA 5 -27.520 12.968 12.169 601 H GLU 6 H GLU 6 -29.171 12.966 8.303 602 HA GLU 6 HA GLU 6 -29.322 10.303 7.524 603 HB2 GLU 6 2HB GLU 6 -30.003 12.663 5.775 604 HB3 GLU 6 1HB GLU 6 -30.688 11.046 5.695 605 HG2 GLU 6 2HG GLU 6 -31.649 11.384 7.937 606 HG3 GLU 6 1HG GLU 6 -31.038 13.036 7.918 607 H GLU 7 H GLU 7 -27.803 12.975 5.729 608 HA GLU 7 HA GLU 7 -26.658 11.287 3.767 609 HB2 GLU 7 2HB GLU 7 -26.042 14.133 4.577 610 HB3 GLU 7 1HB GLU 7 -25.403 13.338 3.161 611 HG2 GLU 7 2HG GLU 7 -28.265 14.028 3.719 612 HG3 GLU 7 1HG GLU 7 -27.217 14.719 2.481 613 H LEU 8 H LEU 8 -25.595 12.576 6.816 614 HA LEU 8 HA LEU 8 -22.844 11.995 6.545 615 HG LEU 8 HG LEU 8 -21.968 13.756 8.068 616 HB2 LEU 8 2HB LEU 8 -24.713 12.693 8.741 617 HB3 LEU 8 1HB LEU 8 -23.198 11.953 9.192 618 HD11 LEU 8 1HD1 LEU 8 -23.152 15.734 7.260 619 HD12 LEU 8 2HD1 LEU 8 -24.693 14.921 7.535 620 HD13 LEU 8 3HD1 LEU 8 -23.571 14.297 6.328 621 HD21 LEU 8 1HD2 LEU 8 -22.482 14.001 10.417 622 HD22 LEU 8 2HD2 LEU 8 -24.052 14.701 10.025 623 HD23 LEU 8 3HD2 LEU 8 -22.573 15.568 9.612 624 H LYS 9 H LYS 9 -25.614 10.218 7.734 625 HA LYS 9 HA LYS 9 -24.284 7.970 8.775 626 HB2 LYS 9 2HB LYS 9 -26.680 8.597 9.154 627 HB3 LYS 9 1HB LYS 9 -27.030 8.100 7.509 628 HG2 LYS 9 2HG LYS 9 -26.390 5.814 8.047 629 HG3 LYS 9 1HG LYS 9 -26.000 6.310 9.698 630 HD2 LYS 9 2HD LYS 9 -28.337 7.058 9.986 631 HD3 LYS 9 1HD LYS 9 -28.707 6.446 8.374 632 HE2 LYS 9 2HE LYS 9 -28.122 4.191 9.084 633 HE3 LYS 9 1HE LYS 9 -27.684 4.793 10.682 634 HZ1 LYS 9 1HZ LYS 9 -30.392 4.805 9.456 635 HZ2 LYS 9 2HZ LYS 9 -30.006 5.562 10.923 636 HZ3 LYS 9 3HZ LYS 9 -29.874 3.880 10.784 637 H ALA 10 H ALA 10 -25.725 8.585 5.597 638 HA ALA 10 HA ALA 10 -24.985 6.119 4.442 639 HB1 ALA 10 1HB ALA 10 -25.456 7.179 2.301 640 HB2 ALA 10 2HB ALA 10 -25.446 8.766 3.068 641 HB3 ALA 10 3HB ALA 10 -26.699 7.595 3.482 642 H LYS 11 H LYS 11 -23.373 9.254 4.624 643 HA LYS 11 HA LYS 11 -21.180 8.666 2.955 644 HB2 LYS 11 2HB LYS 11 -22.062 10.875 4.231 645 HB3 LYS 11 1HB LYS 11 -20.764 10.420 5.319 646 HG2 LYS 11 2HG LYS 11 -20.520 11.063 2.389 647 HG3 LYS 11 1HG LYS 11 -19.981 12.053 3.743 648 HD2 LYS 11 2HD LYS 11 -18.466 10.125 4.370 649 HD3 LYS 11 1HD LYS 11 -18.863 9.422 2.801 650 HE2 LYS 11 2HE LYS 11 -17.454 12.019 3.373 651 HE3 LYS 11 1HE LYS 11 -16.828 10.607 2.526 652 HZ1 LYS 11 1HZ LYS 11 -17.345 12.145 0.866 653 HZ2 LYS 11 2HZ LYS 11 -18.815 12.582 1.582 654 HZ3 LYS 11 3HZ LYS 11 -18.656 11.064 0.839 655 H LEU 12 H LEU 12 -21.454 8.553 6.508 656 HA LEU 12 HA LEU 12 -18.912 7.426 6.983 657 HG LEU 12 HG LEU 12 -19.739 5.644 9.423 658 HB2 LEU 12 2HB LEU 12 -20.249 8.534 8.720 659 HB3 LEU 12 1HB LEU 12 -21.446 7.258 8.628 660 HD11 LEU 12 1HD1 LEU 12 -17.739 6.808 8.671 661 HD12 LEU 12 2HD1 LEU 12 -17.670 6.495 10.405 662 HD13 LEU 12 3HD1 LEU 12 -18.052 8.112 9.816 663 HD21 LEU 12 1HD2 LEU 12 -21.307 6.683 10.977 664 HD22 LEU 12 2HD2 LEU 12 -20.186 8.024 11.218 665 HD23 LEU 12 3HD2 LEU 12 -19.743 6.399 11.741 666 H LYS 13 H LYS 13 -22.078 6.001 6.395 667 HA LYS 13 HA LYS 13 -21.528 3.320 6.918 668 HB2 LYS 13 2HB LYS 13 -23.757 4.320 6.373 669 HB3 LYS 13 1HB LYS 13 -23.265 4.410 4.694 670 HG2 LYS 13 2HG LYS 13 -23.093 1.989 4.588 671 HG3 LYS 13 1HG LYS 13 -23.526 1.872 6.297 672 HD2 LYS 13 2HD LYS 13 -25.690 2.910 5.817 673 HD3 LYS 13 1HD LYS 13 -25.256 3.028 4.110 674 HE2 LYS 13 2HE LYS 13 -25.113 0.594 3.974 675 HE3 LYS 13 1HE LYS 13 -25.514 0.467 5.686 676 HZ1 LYS 13 1HZ LYS 13 -27.284 1.660 3.617 677 HZ2 LYS 13 2HZ LYS 13 -27.670 1.410 5.248 678 HZ3 LYS 13 3HZ LYS 13 -27.427 0.083 4.222 679 H LYS 14 H LYS 14 -21.141 5.170 3.930 680 HA LYS 14 HA LYS 14 -20.170 3.107 2.302 681 HB2 LYS 14 2HB LYS 14 -20.949 5.436 1.615 682 HB3 LYS 14 1HB LYS 14 -19.364 6.011 2.105 683 HG2 LYS 14 2HG LYS 14 -18.330 4.486 0.465 684 HG3 LYS 14 1HG LYS 14 -19.945 4.011 -0.068 685 HD2 LYS 14 2HD LYS 14 -20.401 6.407 -0.589 686 HD3 LYS 14 1HD LYS 14 -18.714 6.760 -0.214 687 HE2 LYS 14 2HE LYS 14 -19.714 4.905 -2.373 688 HE3 LYS 14 1HE LYS 14 -19.043 6.515 -2.616 689 HZ1 LYS 14 1HZ LYS 14 -16.941 5.716 -1.683 690 HZ2 LYS 14 2HZ LYS 14 -17.390 4.842 -3.066 691 HZ3 LYS 14 3HZ LYS 14 -17.597 4.158 -1.531 692 H LEU 15 H LEU 15 -18.427 5.546 4.190 693 HA LEU 15 HA LEU 15 -15.837 4.692 3.471 694 HG LEU 15 HG LEU 15 -17.083 7.479 3.668 695 HB2 LEU 15 2HB LEU 15 -16.842 6.308 5.802 696 HB3 LEU 15 1HB LEU 15 -15.141 6.043 5.483 697 HD11 LEU 15 1HD1 LEU 15 -16.506 8.751 5.667 698 HD12 LEU 15 2HD1 LEU 15 -15.781 9.464 4.227 699 HD13 LEU 15 3HD1 LEU 15 -14.789 8.512 5.331 700 HD21 LEU 15 1HD2 LEU 15 -14.112 7.022 3.375 701 HD22 LEU 15 2HD2 LEU 15 -15.117 8.019 2.321 702 HD23 LEU 15 3HD2 LEU 15 -15.378 6.277 2.398 703 H ASN 16 H ASN 16 -17.854 4.001 6.292 704 HA ASN 16 HA ASN 16 -15.905 2.619 7.781 705 HB2 ASN 16 2HB ASN 16 -18.099 3.556 8.620 706 HB3 ASN 16 1HB ASN 16 -18.889 2.161 7.898 707 HD21 ASN 16 1HD2 ASN 16 -19.644 1.432 9.861 708 HD22 ASN 16 2HD2 ASN 16 -18.613 0.740 11.064 709 H ALA 17 H ALA 17 -18.333 1.480 5.469 710 HA ALA 17 HA ALA 17 -17.750 -1.285 5.839 711 HB1 ALA 17 1HB ALA 17 -19.889 -0.518 4.948 712 HB2 ALA 17 2HB ALA 17 -19.100 -1.629 3.827 713 HB3 ALA 17 3HB ALA 17 -19.078 0.107 3.514 714 H GLN 18 H GLN 18 -16.652 1.186 3.571 715 HA GLN 18 HA GLN 18 -15.189 -0.548 1.887 716 HB2 GLN 18 2HB GLN 18 -15.898 1.741 1.259 717 HB3 GLN 18 1HB GLN 18 -14.734 2.390 2.404 718 HG2 GLN 18 2HG GLN 18 -12.909 1.427 1.143 719 HG3 GLN 18 1HG GLN 18 -14.053 0.697 0.017 720 HE21 GLN 18 1HE2 GLN 18 -12.560 3.638 1.074 721 HE22 GLN 18 2HE2 GLN 18 -13.047 4.612 -0.274 722 H ALA 19 H ALA 19 -14.237 1.422 4.688 723 HA ALA 19 HA ALA 19 -11.494 0.868 4.644 724 HB1 ALA 19 1HB ALA 19 -13.254 1.369 7.045 725 HB2 ALA 19 2HB ALA 19 -12.468 2.606 6.062 726 HB3 ALA 19 3HB ALA 19 -11.496 1.483 7.016 727 H THR 20 H THR 20 -14.181 -0.910 6.068 728 HA THR 20 HA THR 20 -12.625 -2.865 7.389 729 HB THR 20 HB THR 20 -15.476 -3.092 6.396 730 HG1 THR 20 1HG THR 20 -15.400 -1.368 7.804 731 HG21 THR 20 1HG2 THR 20 -13.988 -4.614 8.544 732 HG22 THR 20 2HG2 THR 20 -14.521 -5.259 6.991 733 HG23 THR 20 3HG2 THR 20 -15.713 -4.762 8.192 734 H ALA 21 H ALA 21 -14.021 -2.680 4.146 735 HA ALA 21 HA ALA 21 -13.390 -5.337 3.375 736 HB1 ALA 21 1HB ALA 21 -13.846 -4.593 1.110 737 HB2 ALA 21 2HB ALA 21 -13.778 -2.909 1.630 738 HB3 ALA 21 3HB ALA 21 -15.064 -3.963 2.217 739 H LEU 22 H LEU 22 -11.708 -2.243 2.989 740 HA LEU 22 HA LEU 22 -9.574 -3.222 1.448 741 HG LEU 22 HG LEU 22 -9.211 0.369 1.015 742 HB2 LEU 22 2HB LEU 22 -10.103 -0.768 3.005 743 HB3 LEU 22 1HB LEU 22 -8.416 -1.145 2.717 744 HD11 LEU 22 1HD1 LEU 22 -8.850 -2.418 -0.065 745 HD12 LEU 22 2HD1 LEU 22 -7.564 -1.283 0.352 746 HD13 LEU 22 3HD1 LEU 22 -8.662 -0.924 -0.979 747 HD21 LEU 22 1HD2 LEU 22 -11.281 -1.734 0.397 748 HD22 LEU 22 2HD2 LEU 22 -10.975 -0.283 -0.557 749 HD23 LEU 22 3HD2 LEU 22 -11.584 -0.142 1.092 750 H LYS 23 H LYS 23 -10.193 -3.337 4.860 751 HA LYS 23 HA LYS 23 -7.640 -3.790 5.860 752 HB2 LYS 23 2HB LYS 23 -9.586 -3.521 7.311 753 HB3 LYS 23 1HB LYS 23 -10.251 -5.042 6.735 754 HG2 LYS 23 2HG LYS 23 -8.376 -6.247 7.729 755 HG3 LYS 23 1HG LYS 23 -7.694 -4.722 8.295 756 HD2 LYS 23 2HD LYS 23 -10.376 -5.852 9.089 757 HD3 LYS 23 1HD LYS 23 -8.911 -5.901 10.072 758 HE2 LYS 23 2HE LYS 23 -8.867 -3.446 10.096 759 HE3 LYS 23 1HE LYS 23 -10.348 -3.415 9.141 760 HZ1 LYS 23 1HZ LYS 23 -10.920 -3.101 11.410 761 HZ2 LYS 23 2HZ LYS 23 -10.015 -4.443 11.907 762 HZ3 LYS 23 3HZ LYS 23 -11.423 -4.667 10.986 763 H MET 24 H MET 24 -9.999 -6.205 4.715 764 HA MET 24 HA MET 24 -8.131 -8.355 5.011 765 HB2 MET 24 2HB MET 24 -9.877 -9.764 4.044 766 HB3 MET 24 1HB MET 24 -10.527 -8.733 5.308 767 HG2 MET 24 2HG MET 24 -11.391 -7.208 3.564 768 HG3 MET 24 1HG MET 24 -10.819 -8.341 2.339 769 HE1 MET 24 1HE MET 24 -11.393 -11.118 3.818 770 HE2 MET 24 2HE MET 24 -11.763 -10.860 2.112 771 HE3 MET 24 3HE MET 24 -12.992 -11.522 3.190 772 H ASP 25 H ASP 25 -8.958 -6.154 2.483 773 HA ASP 25 HA ASP 25 -7.994 -7.722 0.298 774 HB2 ASP 25 2HB ASP 25 -9.600 -5.771 0.128 775 HB3 ASP 25 1HB ASP 25 -8.229 -4.706 0.411 776 H LEU 26 H LEU 26 -6.595 -5.332 2.467 777 HA LEU 26 HA LEU 26 -4.041 -5.286 1.123 778 HG LEU 26 HG LEU 26 -2.507 -4.513 3.831 779 HB2 LEU 26 2HB LEU 26 -4.795 -3.299 2.278 780 HB3 LEU 26 1HB LEU 26 -4.966 -4.185 3.781 781 HD11 LEU 26 1HD1 LEU 26 -2.039 -4.369 1.457 782 HD12 LEU 26 2HD1 LEU 26 -1.103 -3.164 2.344 783 HD13 LEU 26 3HD1 LEU 26 -2.539 -2.678 1.442 784 HD21 LEU 26 1HD2 LEU 26 -1.961 -2.193 4.414 785 HD22 LEU 26 2HD2 LEU 26 -3.522 -2.691 5.066 786 HD23 LEU 26 3HD2 LEU 26 -3.452 -1.657 3.639 787 H HIS 27 H HIS 27 -5.358 -6.685 4.093 788 HA HIS 27 HA HIS 27 -3.060 -7.563 5.332 789 HD1 HIS 27 1HD HIS 27 -5.253 -11.310 5.837 790 HD2 HIS 27 2HD HIS 27 -3.239 -8.580 8.255 791 HE1 HIS 27 1HE HIS 27 -4.194 -12.670 7.677 792 HE2 HIS 27 2HE HIS 27 -3.107 -10.976 9.211 793 HB2 HIS 27 2HB HIS 27 -5.252 -7.675 6.392 794 HB3 HIS 27 1HB HIS 27 -5.770 -8.913 5.253 795 H ASP 28 H ASP 28 -5.063 -9.422 3.055 796 HA ASP 28 HA ASP 28 -3.322 -11.678 3.236 797 HB2 ASP 28 2HB ASP 28 -5.777 -11.058 1.636 798 HB3 ASP 28 1HB ASP 28 -4.812 -12.487 1.275 799 H LEU 29 H LEU 29 -3.516 -8.927 1.106 800 HA LEU 29 HA LEU 29 -1.995 -10.053 -1.016 801 HG LEU 29 HG LEU 29 -0.390 -7.506 -1.807 802 HB2 LEU 29 2HB LEU 29 -3.325 -7.991 -1.269 803 HB3 LEU 29 1HB LEU 29 -2.227 -7.158 -0.185 804 HD11 LEU 29 1HD1 LEU 29 -0.906 -8.267 -4.072 805 HD12 LEU 29 2HD1 LEU 29 -2.564 -8.618 -3.579 806 HD13 LEU 29 3HD1 LEU 29 -1.224 -9.528 -2.882 807 HD21 LEU 29 1HD2 LEU 29 -1.647 -5.430 -1.844 808 HD22 LEU 29 2HD2 LEU 29 -2.837 -6.149 -2.929 809 HD23 LEU 29 3HD2 LEU 29 -1.180 -5.900 -3.478 810 H ALA 30 H ALA 30 -1.149 -8.247 1.897 811 HA ALA 30 HA ALA 30 1.668 -8.283 1.391 812 HB1 ALA 30 1HB ALA 30 0.201 -7.815 3.985 813 HB2 ALA 30 2HB ALA 30 0.626 -6.572 2.808 814 HB3 ALA 30 3HB ALA 30 1.895 -7.449 3.664 815 H GLU 31 H GLU 31 -0.615 -10.446 2.811 816 HA GLU 31 HA GLU 31 1.303 -12.027 4.246 817 HB2 GLU 31 2HB GLU 31 -1.096 -11.840 4.884 818 HB3 GLU 31 1HB GLU 31 -1.522 -12.720 3.424 819 HG2 GLU 31 2HG GLU 31 -0.304 -14.662 4.218 820 HG3 GLU 31 1HG GLU 31 0.181 -13.779 5.666 821 H ASP 32 H ASP 32 -0.432 -12.283 1.184 822 HA ASP 32 HA ASP 32 0.988 -14.743 0.503 823 HB2 ASP 32 2HB ASP 32 -1.509 -14.494 0.173 824 HB3 ASP 32 1HB ASP 32 -1.154 -13.332 -1.100 825 H LEU 33 H LEU 33 2.310 -12.135 0.631 826 HA LEU 33 HA LEU 33 2.786 -10.785 -1.652 827 HG LEU 33 HG LEU 33 2.995 -9.428 0.700 828 HB2 LEU 33 2HB LEU 33 4.428 -11.412 0.707 829 HB3 LEU 33 1HB LEU 33 5.295 -10.807 -0.694 830 HD11 LEU 33 1HD1 LEU 33 4.675 -7.740 1.276 831 HD12 LEU 33 2HD1 LEU 33 5.929 -8.753 0.557 832 HD13 LEU 33 3HD1 LEU 33 5.048 -9.313 1.980 833 HD21 LEU 33 1HD2 LEU 33 2.945 -9.013 -1.709 834 HD22 LEU 33 2HD2 LEU 33 4.641 -8.538 -1.670 835 HD23 LEU 33 3HD2 LEU 33 3.436 -7.565 -0.829 836 HA PRO 34 HA PRO 34 4.556 -10.911 -5.008 837 HB2 PRO 34 2HB PRO 34 6.289 -13.331 -4.601 838 HB3 PRO 34 1HB PRO 34 6.427 -12.060 -5.829 839 HG2 PRO 34 2HG PRO 34 7.709 -12.028 -3.350 840 HG3 PRO 34 1HG PRO 34 7.430 -10.609 -4.372 841 HD2 PRO 34 2HD PRO 34 6.328 -11.048 -1.810 842 HD3 PRO 34 1HD PRO 34 5.771 -9.835 -2.987 843 H THR 35 H THR 35 2.978 -11.317 -6.041 844 HA THR 35 HA THR 35 2.100 -13.650 -7.263 845 HB THR 35 HB THR 35 -0.259 -13.560 -6.114 846 HG1 THR 35 1HG THR 35 0.748 -13.292 -3.647 847 HG21 THR 35 1HG2 THR 35 2.014 -15.009 -4.755 848 HG22 THR 35 2HG2 THR 35 1.109 -15.582 -6.155 849 HG23 THR 35 3HG2 THR 35 0.300 -15.396 -4.600 850 H GLY 36 H GLY 36 0.814 -10.815 -5.615 851 HA2 GLY 36 2HA GLY 36 0.182 -9.599 -8.223 852 HA3 GLY 36 1HA GLY 36 -0.972 -9.544 -6.897 853 H TRP 37 H TRP 37 2.534 -9.159 -6.845 854 HA TRP 37 HA TRP 37 2.635 -7.080 -5.029 855 HD1 TRP 37 HD TRP 37 6.170 -5.771 -7.590 856 HE1 TRP 37 1HE TRP 37 6.609 -6.399 -10.054 857 HE3 TRP 37 3HE TRP 37 3.271 -9.985 -7.894 858 HZ2 TRP 37 2HZ TRP 37 5.829 -8.408 -11.871 859 HZ3 TRP 37 3HZ TRP 37 3.175 -11.193 -10.033 860 HH2 TRP 37 HH TRP 37 4.427 -10.421 -11.979 861 HB2 TRP 37 2HB TRP 37 4.938 -6.837 -5.612 862 HB3 TRP 37 1HB TRP 37 4.548 -8.542 -5.780 863 H ASN 38 H ASN 38 2.044 -6.965 -8.452 864 HA ASN 38 HA ASN 38 2.644 -4.246 -8.899 865 HB2 ASN 38 2HB ASN 38 2.394 -5.848 -10.739 866 HB3 ASN 38 1HB ASN 38 0.689 -6.050 -10.351 867 HD21 ASN 38 1HD2 ASN 38 3.096 -3.985 -11.769 868 HD22 ASN 38 2HD2 ASN 38 1.990 -2.875 -12.512 869 H ARG 39 H ARG 39 -0.024 -5.842 -7.395 870 HA ARG 39 HA ARG 39 -1.820 -3.580 -7.733 871 HE ARG 39 HE ARG 39 -6.583 -4.744 -6.956 872 HB2 ARG 39 2HB ARG 39 -2.583 -5.980 -7.882 873 HB3 ARG 39 1HB ARG 39 -2.292 -6.115 -6.153 874 HG2 ARG 39 2HG ARG 39 -3.911 -4.287 -5.779 875 HG3 ARG 39 1HG ARG 39 -4.251 -4.277 -7.509 876 HD2 ARG 39 2HD ARG 39 -4.941 -6.652 -7.338 877 HD3 ARG 39 1HD ARG 39 -4.707 -6.559 -5.591 878 HH11 ARG 39 1HH1 ARG 39 -5.951 -7.222 -4.545 879 HH12 ARG 39 2HH1 ARG 39 -7.514 -7.065 -3.799 880 HH21 ARG 39 1HH2 ARG 39 -8.649 -4.605 -6.032 881 HH22 ARG 39 2HH2 ARG 39 -9.074 -5.623 -4.684 882 H ILE 40 H ILE 40 0.669 -4.280 -5.669 883 HA ILE 40 HA ILE 40 -0.330 -3.767 -3.116 884 HB ILE 40 HB ILE 40 2.398 -3.185 -4.269 885 HG12 ILE 40 2HG1 ILE 40 1.397 -5.371 -2.429 886 HG13 ILE 40 1HG1 ILE 40 1.740 -5.557 -4.145 887 HG21 ILE 40 1HG2 ILE 40 1.535 -3.054 -1.380 888 HG22 ILE 40 2HG2 ILE 40 2.015 -1.687 -2.385 889 HG23 ILE 40 3HG2 ILE 40 3.193 -2.932 -1.965 890 HD11 ILE 40 1HD1 ILE 40 3.738 -4.880 -2.002 891 HD12 ILE 40 2HD1 ILE 40 4.092 -5.032 -3.723 892 HD13 ILE 40 3HD1 ILE 40 3.552 -6.439 -2.805 893 H MET 41 H MET 41 0.844 -1.503 -5.578 894 HA MET 41 HA MET 41 0.638 0.816 -3.988 895 HB2 MET 41 2HB MET 41 0.529 0.515 -6.992 896 HB3 MET 41 1HB MET 41 0.663 2.051 -6.147 897 HG2 MET 41 2HG MET 41 2.654 -0.201 -6.117 898 HG3 MET 41 1HG MET 41 2.826 1.352 -6.935 899 HE1 MET 41 1HE MET 41 1.669 3.397 -4.766 900 HE2 MET 41 2HE MET 41 3.150 3.650 -5.692 901 HE3 MET 41 3HE MET 41 3.165 3.834 -3.940 902 H GLU 42 H GLU 42 -1.636 -0.801 -6.137 903 HA GLU 42 HA GLU 42 -3.702 1.077 -6.173 904 HB2 GLU 42 2HB GLU 42 -3.650 -0.996 -7.544 905 HB3 GLU 42 1HB GLU 42 -3.933 -1.944 -6.097 906 HG2 GLU 42 2HG GLU 42 -6.073 -0.545 -5.845 907 HG3 GLU 42 1HG GLU 42 -5.810 -0.109 -7.534 908 H VAL 43 H VAL 43 -3.210 -1.676 -3.999 909 HA VAL 43 HA VAL 43 -5.424 -1.117 -2.341 910 HB VAL 43 HB VAL 43 -2.927 -2.640 -1.589 911 HG11 VAL 43 1HG1 VAL 43 -4.340 -2.034 0.317 912 HG12 VAL 43 2HG1 VAL 43 -4.388 -3.771 0.015 913 HG13 VAL 43 3HG1 VAL 43 -5.736 -2.751 -0.488 914 HG21 VAL 43 1HG2 VAL 43 -3.881 -3.535 -3.635 915 HG22 VAL 43 2HG2 VAL 43 -5.480 -3.588 -2.894 916 HG23 VAL 43 3HG2 VAL 43 -4.195 -4.635 -2.292 917 H ALA 44 H ALA 44 -1.973 -0.277 -2.043 918 HA ALA 44 HA ALA 44 -2.069 1.003 0.437 919 HB1 ALA 44 1HB ALA 44 -0.346 1.728 -1.938 920 HB2 ALA 44 2HB ALA 44 0.028 0.501 -0.730 921 HB3 ALA 44 3HB ALA 44 -0.053 2.200 -0.263 922 H GLU 45 H GLU 45 -2.722 2.236 -2.807 923 HA GLU 45 HA GLU 45 -3.296 4.894 -2.174 924 HB2 GLU 45 2HB GLU 45 -4.131 3.003 -4.353 925 HB3 GLU 45 1HB GLU 45 -4.813 4.613 -4.284 926 HG2 GLU 45 2HG GLU 45 -2.612 5.589 -4.488 927 HG3 GLU 45 1HG GLU 45 -1.881 3.983 -4.457 928 H LYS 46 H LYS 46 -5.521 2.154 -2.612 929 HA LYS 46 HA LYS 46 -7.886 3.519 -2.070 930 HB2 LYS 46 2HB LYS 46 -7.220 0.610 -1.728 931 HB3 LYS 46 1HB LYS 46 -8.848 1.272 -1.658 932 HG2 LYS 46 2HG LYS 46 -8.668 2.039 -3.941 933 HG3 LYS 46 1HG LYS 46 -7.001 1.466 -4.020 934 HD2 LYS 46 2HD LYS 46 -9.455 -0.227 -3.603 935 HD3 LYS 46 1HD LYS 46 -8.492 -0.103 -5.069 936 HE2 LYS 46 2HE LYS 46 -6.547 -0.991 -3.842 937 HE3 LYS 46 1HE LYS 46 -7.555 -1.161 -2.411 938 HZ1 LYS 46 1HZ LYS 46 -7.491 -3.266 -3.408 939 HZ2 LYS 46 2HZ LYS 46 -7.748 -2.641 -4.964 940 HZ3 LYS 46 3HZ LYS 46 -9.010 -2.635 -3.826 941 H THR 47 H THR 47 -5.910 1.521 0.126 942 HA THR 47 HA THR 47 -7.710 1.685 2.295 943 HB THR 47 HB THR 47 -4.744 1.110 2.433 944 HG1 THR 47 1HG THR 47 -6.327 -1.072 2.478 945 HG21 THR 47 1HG2 THR 47 -5.357 -0.211 4.404 946 HG22 THR 47 2HG2 THR 47 -7.036 0.296 4.223 947 HG23 THR 47 3HG2 THR 47 -5.792 1.486 4.609 948 H TYR 48 H TYR 48 -4.728 3.495 1.558 949 HA TYR 48 HA TYR 48 -4.749 4.959 3.985 950 HD1 TYR 48 2HD TYR 48 -1.977 5.670 4.725 951 HD2 TYR 48 1HD TYR 48 -3.605 8.112 1.647 952 HE1 TYR 48 2HE TYR 48 -1.108 7.672 5.859 953 HE2 TYR 48 1HE TYR 48 -2.745 10.120 2.772 954 HH TYR 48 HH TYR 48 -0.427 10.084 5.079 955 HB2 TYR 48 2HB TYR 48 -2.712 4.702 2.608 956 HB3 TYR 48 1HB TYR 48 -3.439 5.713 1.361 957 H GLU 49 H GLU 49 -5.917 5.675 0.720 958 HA GLU 49 HA GLU 49 -6.690 8.333 1.144 959 HB2 GLU 49 2HB GLU 49 -6.598 6.789 -1.015 960 HB3 GLU 49 1HB GLU 49 -8.298 6.554 -0.647 961 HG2 GLU 49 2HG GLU 49 -7.031 9.258 -1.020 962 HG3 GLU 49 1HG GLU 49 -7.790 8.341 -2.318 963 H ALA 50 H ALA 50 -8.529 5.315 1.430 964 HA ALA 50 HA ALA 50 -10.982 6.435 2.171 965 HB1 ALA 50 1HB ALA 50 -10.705 4.116 1.412 966 HB2 ALA 50 2HB ALA 50 -11.584 4.216 2.937 967 HB3 ALA 50 3HB ALA 50 -9.890 3.728 2.928 968 H TYR 51 H TYR 51 -8.341 5.165 4.220 969 HA TYR 51 HA TYR 51 -9.692 5.677 6.653 970 HD1 TYR 51 2HD TYR 51 -8.494 4.554 9.187 971 HD2 TYR 51 1HD TYR 51 -7.824 2.701 5.416 972 HE1 TYR 51 2HE TYR 51 -9.266 2.411 10.110 973 HE2 TYR 51 1HE TYR 51 -8.595 0.551 6.331 974 HH TYR 51 HH TYR 51 -10.190 0.306 9.344 975 HB2 TYR 51 2HB TYR 51 -6.939 4.909 5.884 976 HB3 TYR 51 1HB TYR 51 -7.140 5.647 7.472 977 H ARG 52 H ARG 52 -7.335 7.581 4.805 978 HA ARG 52 HA ARG 52 -7.051 9.658 6.677 979 HE ARG 52 HE ARG 52 -3.881 11.002 5.429 980 HB2 ARG 52 2HB ARG 52 -5.525 9.513 4.819 981 HB3 ARG 52 1HB ARG 52 -6.840 9.682 3.662 982 HG2 ARG 52 2HG ARG 52 -5.623 11.750 3.814 983 HG3 ARG 52 1HG ARG 52 -7.238 11.970 4.482 984 HD2 ARG 52 2HD ARG 52 -5.807 13.062 5.982 985 HD3 ARG 52 1HD ARG 52 -6.190 11.526 6.756 986 HH11 ARG 52 1HH1 ARG 52 -4.845 13.487 7.707 987 HH12 ARG 52 2HH1 ARG 52 -3.234 13.726 8.324 988 HH21 ARG 52 1HH2 ARG 52 -1.760 11.316 6.242 989 HH22 ARG 52 2HH2 ARG 52 -1.495 12.484 7.503 990 H GLN 53 H GLN 53 -9.286 9.303 3.931 991 HA GLN 53 HA GLN 53 -10.638 11.750 4.387 992 HB2 GLN 53 2HB GLN 53 -10.696 10.541 2.233 993 HB3 GLN 53 1HB GLN 53 -11.639 9.262 2.983 994 HG2 GLN 53 2HG GLN 53 -13.036 10.765 1.681 995 HG3 GLN 53 1HG GLN 53 -13.460 10.809 3.392 996 HE21 GLN 53 1HE2 GLN 53 -10.642 12.381 2.075 997 HE22 GLN 53 2HE2 GLN 53 -11.187 14.005 2.314 998 H LEU 54 H LEU 54 -11.209 8.441 5.494 999 HA LEU 54 HA LEU 54 -13.673 8.835 6.753 1000 HG LEU 54 HG LEU 54 -12.971 7.178 9.396 1001 HB2 LEU 54 2HB LEU 54 -12.705 6.628 6.441 1002 HB3 LEU 54 1HB LEU 54 -11.380 7.023 7.517 1003 HD11 LEU 54 1HD1 LEU 54 -14.970 7.799 8.155 1004 HD12 LEU 54 2HD1 LEU 54 -15.252 6.347 9.117 1005 HD13 LEU 54 3HD1 LEU 54 -14.993 6.216 7.379 1006 HD21 LEU 54 1HD2 LEU 54 -13.397 4.790 9.604 1007 HD22 LEU 54 2HD2 LEU 54 -11.789 5.089 8.942 1008 HD23 LEU 54 3HD2 LEU 54 -13.101 4.578 7.878 1009 H ASP 55 H ASP 55 -10.390 9.157 8.063 1010 HA ASP 55 HA ASP 55 -11.227 10.009 10.637 1011 HB2 ASP 55 2HB ASP 55 -9.014 9.006 10.211 1012 HB3 ASP 55 1HB ASP 55 -8.564 10.406 9.244 1013 H GLU 56 H GLU 56 -10.187 11.760 7.721 1014 HA GLU 56 HA GLU 56 -10.327 14.344 8.827 1015 HB2 GLU 56 2HB GLU 56 -10.414 13.267 6.043 1016 HB3 GLU 56 1HB GLU 56 -10.804 14.957 6.312 1017 HG2 GLU 56 2HG GLU 56 -8.592 15.057 7.601 1018 HG3 GLU 56 1HG GLU 56 -8.232 13.522 6.815 1019 H PHE 57 H PHE 57 -12.782 12.460 7.073 1020 HA PHE 57 HA PHE 57 -14.838 14.370 7.243 1021 HD1 PHE 57 1HD PHE 57 -16.902 14.182 5.674 1022 HD2 PHE 57 2HD PHE 57 -17.055 10.680 8.087 1023 HE1 PHE 57 1HE PHE 57 -19.356 14.348 5.752 1024 HE2 PHE 57 2HE PHE 57 -19.509 10.835 8.163 1025 HZ PHE 57 HZ PHE 57 -20.662 12.671 6.998 1026 HB2 PHE 57 2HB PHE 57 -15.007 12.398 5.797 1027 HB3 PHE 57 1HB PHE 57 -15.032 11.347 7.209 1028 H ARG 58 H ARG 58 -13.698 11.901 9.465 1029 HA ARG 58 HA ARG 58 -15.738 12.165 11.385 1030 HE ARG 58 HE ARG 58 -16.176 9.071 14.559 1031 HB2 ARG 58 2HB ARG 58 -13.465 10.590 11.083 1032 HB3 ARG 58 1HB ARG 58 -13.147 11.526 12.539 1033 HG2 ARG 58 2HG ARG 58 -15.545 9.774 12.022 1034 HG3 ARG 58 1HG ARG 58 -14.195 9.423 13.104 1035 HD2 ARG 58 2HD ARG 58 -14.796 11.343 14.483 1036 HD3 ARG 58 1HD ARG 58 -16.128 11.723 13.393 1037 HH11 ARG 58 1HH1 ARG 58 -17.292 12.386 14.777 1038 HH12 ARG 58 2HH1 ARG 58 -18.633 12.012 15.824 1039 HH21 ARG 58 1HH2 ARG 58 -17.942 8.567 15.915 1040 HH22 ARG 58 2HH2 ARG 58 -19.010 9.824 16.459 1041 H LYS 59 H LYS 59 -12.682 13.911 10.915 1042 HA LYS 59 HA LYS 59 -12.800 15.493 13.263 1043 HB2 LYS 59 2HB LYS 59 -11.770 16.488 10.604 1044 HB3 LYS 59 1HB LYS 59 -11.261 16.983 12.207 1045 HG2 LYS 59 2HG LYS 59 -10.792 14.225 11.120 1046 HG3 LYS 59 1HG LYS 59 -9.657 15.554 10.903 1047 HD2 LYS 59 2HD LYS 59 -9.603 15.777 13.405 1048 HD3 LYS 59 1HD LYS 59 -10.534 14.280 13.491 1049 HE2 LYS 59 2HE LYS 59 -8.769 13.137 12.199 1050 HE3 LYS 59 1HE LYS 59 -7.831 14.625 12.193 1051 HZ1 LYS 59 1HZ LYS 59 -7.705 14.501 14.614 1052 HZ2 LYS 59 2HZ LYS 59 -7.055 13.116 13.893 1053 HZ3 LYS 59 3HZ LYS 59 -8.592 13.055 14.601 1054 H SER 60 H SER 60 -13.956 16.051 9.980 1055 HA SER 60 HA SER 60 -15.031 18.604 10.399 1056 HG SER 60 HG SER 60 -16.438 19.244 8.664 1057 HB2 SER 60 2HB SER 60 -14.529 17.687 8.172 1058 HB3 SER 60 1HB SER 60 -15.837 16.521 8.357 1059 H THR 61 H THR 61 -16.500 15.409 10.746 1060 HA THR 61 HA THR 61 -19.095 16.574 11.257 1061 HB THR 61 HB THR 61 -18.892 14.391 10.084 1062 HG1 THR 61 1HG THR 61 -20.436 14.809 12.376 1063 HG21 THR 61 1HG2 THR 61 -18.458 12.369 11.386 1064 HG22 THR 61 2HG2 THR 61 -18.082 13.353 12.800 1065 HG23 THR 61 3HG2 THR 61 -17.050 13.431 11.372 1066 H ALA 62 H ALA 62 -16.352 15.612 13.144 1067 HA ALA 62 HA ALA 62 -17.674 15.006 15.567 1068 HB1 ALA 62 1HB ALA 62 -15.344 14.398 15.144 1069 HB2 ALA 62 2HB ALA 62 -15.513 15.326 16.637 1070 HB3 ALA 62 3HB ALA 62 -14.895 16.103 15.177 1071 H SER 63 H SER 63 -16.392 18.020 14.247 1072 HA SER 63 HA SER 63 -16.890 19.610 16.518 1073 HG SER 63 HG SER 63 -16.222 20.878 12.719 1074 HB2 SER 63 2HB SER 63 -16.855 21.490 14.754 1075 HB3 SER 63 1HB SER 63 -15.406 20.498 14.929 1076 H LEU 64 H LEU 64 -18.878 18.889 13.674 1077 HA LEU 64 HA LEU 64 -21.021 20.601 14.441 1078 HG LEU 64 HG LEU 64 -21.444 20.219 10.817 1079 HB2 LEU 64 2HB LEU 64 -20.679 18.461 12.384 1080 HB3 LEU 64 1HB LEU 64 -22.287 19.059 12.742 1081 HD11 LEU 64 1HD1 LEU 64 -21.574 22.536 11.574 1082 HD12 LEU 64 2HD1 LEU 64 -21.340 22.008 13.240 1083 HD13 LEU 64 3HD1 LEU 64 -22.792 21.530 12.359 1084 HD21 LEU 64 1HD2 LEU 64 -19.075 20.979 12.523 1085 HD22 LEU 64 2HD2 LEU 64 -19.418 21.607 10.912 1086 HD23 LEU 64 3HD2 LEU 64 -19.062 19.893 11.134 1087 H GLU 65 H GLU 65 -20.354 17.180 14.832 1088 HA GLU 65 HA GLU 65 -22.812 16.477 16.068 1089 HB2 GLU 65 2HB GLU 65 -21.229 14.866 15.044 1090 HB3 GLU 65 1HB GLU 65 -20.089 15.188 16.334 1091 HG2 GLU 65 2HG GLU 65 -21.748 14.338 17.957 1092 HG3 GLU 65 1HG GLU 65 -22.799 13.916 16.605 1093 H HIS 66 H HIS 66 -20.215 18.276 17.054 1094 HA HIS 66 HA HIS 66 -19.353 19.070 18.953 1095 HD1 HIS 66 1HD HIS 66 -23.631 19.766 18.450 1096 HD2 HIS 66 2HD HIS 66 -20.140 21.843 19.335 1097 HE1 HIS 66 1HE HIS 66 -23.906 22.031 17.394 1098 HE2 HIS 66 2HE HIS 66 -21.701 23.198 17.772 1099 HB2 HIS 66 2HB HIS 66 -22.138 18.480 19.962 1100 HB3 HIS 66 1HB HIS 66 -20.928 19.414 20.814 1101 H HIS 67 H HIS 67 -18.504 16.692 18.419 1102 HA HIS 67 HA HIS 67 -18.847 14.787 20.560 1103 HD1 HIS 67 1HD HIS 67 -19.130 12.157 18.360 1104 HD2 HIS 67 2HD HIS 67 -15.552 12.759 20.394 1105 HE1 HIS 67 1HE HIS 67 -18.416 9.884 19.164 1106 HE2 HIS 67 2HE HIS 67 -16.096 10.240 20.076 1107 HB2 HIS 67 2HB HIS 67 -18.208 14.440 18.027 1108 HB3 HIS 67 1HB HIS 67 -16.575 14.766 18.589 1109 H HIS 68 H HIS 68 -18.305 16.953 21.863 1110 HA HIS 68 HA HIS 68 -15.689 17.953 21.987 1111 HD1 HIS 68 1HD HIS 68 -15.359 19.132 25.554 1112 HD2 HIS 68 2HD HIS 68 -16.788 21.148 22.208 1113 HE1 HIS 68 1HE HIS 68 -14.296 21.413 25.627 1114 HE2 HIS 68 2HE HIS 68 -15.393 22.692 23.748 1115 HB2 HIS 68 2HB HIS 68 -18.034 18.779 22.962 1116 HB3 HIS 68 1HB HIS 68 -17.407 18.020 24.419 1117 H HIS 69 H HIS 69 -17.326 15.431 23.850 1118 HA HIS 69 HA HIS 69 -14.895 14.758 25.284 1119 HD1 HIS 69 1HD HIS 69 -17.048 11.016 26.506 1120 HD2 HIS 69 2HD HIS 69 -14.685 14.202 27.760 1121 HE1 HIS 69 1HE HIS 69 -15.767 10.168 28.501 1122 HE2 HIS 69 2HE HIS 69 -14.529 12.184 29.379 1123 HB2 HIS 69 2HB HIS 69 -17.353 14.408 26.081 1124 HB3 HIS 69 1HB HIS 69 -17.322 12.982 25.052 1125 H HIS 70 H HIS 70 -13.340 14.183 23.836 1126 HA HIS 70 HA HIS 70 -14.100 13.045 21.320 1127 HD1 HIS 70 1HD HIS 70 -10.074 12.083 20.616 1128 HD2 HIS 70 2HD HIS 70 -13.011 14.473 18.885 1129 HE1 HIS 70 1HE HIS 70 -9.788 11.822 18.124 1130 HE2 HIS 70 2HE HIS 70 -11.689 13.138 17.105 1131 HB2 HIS 70 2HB HIS 70 -12.314 14.803 21.659 1132 HB3 HIS 70 1HB HIS 70 -11.287 13.520 22.291 1133 H HIS 71 H HIS 71 -14.139 11.036 20.737 1134 HA HIS 71 HA HIS 71 -12.123 9.167 21.374 1135 HD1 HIS 71 1HD HIS 71 -15.518 6.759 21.113 1136 HD2 HIS 71 2HD HIS 71 -16.124 9.841 23.845 1137 HE1 HIS 71 1HE HIS 71 -18.009 6.929 21.408 1138 HE2 HIS 71 2HE HIS 71 -18.327 8.635 23.230 1139 HB2 HIS 71 2HB HIS 71 -13.392 7.485 22.538 1140 HB3 HIS 71 1HB HIS 71 -13.544 8.979 23.451 Start of MODEL 5 1 HA MET 1 HA MET 1 29.894 3.774 -20.441 2 H1 MET 1 1H MET 1 28.057 2.682 -18.391 3 H2 MET 1 2H MET 1 27.887 2.540 -20.073 4 H3 MET 1 3H MET 1 27.771 4.060 -19.339 5 HB2 MET 1 2HB MET 1 29.625 5.151 -18.360 6 HB3 MET 1 1HB MET 1 30.184 3.767 -17.431 7 HG2 MET 1 2HG MET 1 31.998 5.297 -17.753 8 HG3 MET 1 1HG MET 1 32.310 3.828 -18.677 9 HE1 MET 1 1HE MET 1 33.898 6.763 -20.808 10 HE2 MET 1 2HE MET 1 34.227 5.284 -19.901 11 HE3 MET 1 3HE MET 1 33.748 6.755 -19.052 12 H SER 2 H SER 2 30.056 1.829 -17.444 13 HA SER 2 HA SER 2 31.159 -0.388 -19.009 14 HG SER 2 HG SER 2 33.283 0.776 -19.180 15 HB2 SER 2 2HB SER 2 32.416 0.679 -16.469 16 HB3 SER 2 1HB SER 2 32.969 -0.715 -17.395 17 H GLU 3 H GLU 3 30.703 -2.418 -18.168 18 HA GLU 3 HA GLU 3 29.040 -2.456 -15.748 19 HB2 GLU 3 2HB GLU 3 27.580 -4.109 -16.751 20 HB3 GLU 3 1HB GLU 3 27.626 -2.679 -17.766 21 HG2 GLU 3 2HG GLU 3 29.255 -5.152 -18.291 22 HG3 GLU 3 1HG GLU 3 27.658 -4.867 -18.976 23 H GLY 4 H GLY 4 29.601 -3.869 -14.272 24 HA2 GLY 4 2HA GLY 4 31.410 -6.079 -15.055 25 HA3 GLY 4 1HA GLY 4 31.545 -5.228 -13.519 26 H ALA 5 H ALA 5 30.665 -8.057 -14.702 27 HA ALA 5 HA ALA 5 28.033 -8.554 -13.892 28 HB1 ALA 5 1HB ALA 5 28.634 -10.917 -13.910 29 HB2 ALA 5 2HB ALA 5 30.346 -10.490 -13.933 30 HB3 ALA 5 3HB ALA 5 29.318 -10.079 -15.305 31 H GLU 6 H GLU 6 30.958 -8.329 -12.050 32 HA GLU 6 HA GLU 6 30.103 -9.617 -9.694 33 HB2 GLU 6 2HB GLU 6 32.027 -7.300 -9.843 34 HB3 GLU 6 1HB GLU 6 31.975 -8.569 -8.630 35 HG2 GLU 6 2HG GLU 6 32.765 -8.847 -11.515 36 HG3 GLU 6 1HG GLU 6 33.820 -8.948 -10.108 37 H GLU 7 H GLU 7 30.025 -6.243 -10.727 38 HA GLU 7 HA GLU 7 28.734 -5.257 -8.390 39 HB2 GLU 7 2HB GLU 7 30.045 -3.880 -10.026 40 HB3 GLU 7 1HB GLU 7 28.720 -4.057 -11.161 41 HG2 GLU 7 2HG GLU 7 27.224 -2.889 -9.694 42 HG3 GLU 7 1HG GLU 7 28.453 -2.818 -8.433 43 H LEU 8 H LEU 8 27.673 -6.434 -11.507 44 HA LEU 8 HA LEU 8 24.966 -5.791 -11.399 45 HG LEU 8 HG LEU 8 25.651 -7.009 -14.818 46 HB2 LEU 8 2HB LEU 8 26.635 -7.799 -12.796 47 HB3 LEU 8 1HB LEU 8 24.928 -8.138 -12.711 48 HD11 LEU 8 1HD1 LEU 8 23.811 -5.416 -14.870 49 HD12 LEU 8 2HD1 LEU 8 23.699 -5.479 -13.111 50 HD13 LEU 8 3HD1 LEU 8 23.342 -6.915 -14.071 51 HD21 LEU 8 1HD2 LEU 8 26.125 -4.612 -14.751 52 HD22 LEU 8 2HD2 LEU 8 27.350 -5.536 -13.882 53 HD23 LEU 8 3HD2 LEU 8 26.112 -4.656 -12.987 54 H LYS 9 H LYS 9 26.650 -8.718 -10.285 55 HA LYS 9 HA LYS 9 24.346 -9.988 -9.243 56 HB2 LYS 9 2HB LYS 9 26.811 -10.859 -9.728 57 HB3 LYS 9 1HB LYS 9 27.026 -10.480 -8.026 58 HG2 LYS 9 2HG LYS 9 26.465 -12.758 -8.113 59 HG3 LYS 9 1HG LYS 9 24.994 -11.931 -7.588 60 HD2 LYS 9 2HD LYS 9 24.126 -12.009 -9.861 61 HD3 LYS 9 1HD LYS 9 25.614 -12.778 -10.417 62 HE2 LYS 9 2HE LYS 9 25.122 -14.646 -8.802 63 HE3 LYS 9 1HE LYS 9 23.541 -13.909 -8.545 64 HZ1 LYS 9 1HZ LYS 9 23.427 -15.657 -10.200 65 HZ2 LYS 9 2HZ LYS 9 24.606 -14.885 -11.143 66 HZ3 LYS 9 3HZ LYS 9 23.091 -14.159 -10.921 67 H ALA 10 H ALA 10 26.762 -7.852 -7.799 68 HA ALA 10 HA ALA 10 25.850 -8.056 -5.135 69 HB1 ALA 10 1HB ALA 10 27.256 -5.727 -6.437 70 HB2 ALA 10 2HB ALA 10 28.054 -7.152 -5.771 71 HB3 ALA 10 3HB ALA 10 27.159 -6.060 -4.711 72 H LYS 11 H LYS 11 25.008 -5.886 -7.787 73 HA LYS 11 HA LYS 11 23.308 -4.192 -6.291 74 HB2 LYS 11 2HB LYS 11 24.321 -3.817 -8.636 75 HB3 LYS 11 1HB LYS 11 22.963 -4.764 -9.226 76 HG2 LYS 11 2HG LYS 11 22.280 -2.545 -9.455 77 HG3 LYS 11 1HG LYS 11 21.482 -3.102 -7.981 78 HD2 LYS 11 2HD LYS 11 23.256 -2.064 -6.639 79 HD3 LYS 11 1HD LYS 11 24.038 -1.501 -8.116 80 HE2 LYS 11 2HE LYS 11 21.891 -0.281 -8.640 81 HE3 LYS 11 1HE LYS 11 21.368 -0.674 -7.002 82 HZ1 LYS 11 1HZ LYS 11 23.703 0.975 -7.797 83 HZ2 LYS 11 2HZ LYS 11 23.430 0.446 -6.211 84 HZ3 LYS 11 3HZ LYS 11 22.317 1.485 -6.958 85 H LEU 12 H LEU 12 22.679 -7.013 -8.356 86 HA LEU 12 HA LEU 12 19.907 -7.142 -7.994 87 HG LEU 12 HG LEU 12 19.607 -10.194 -7.675 88 HB2 LEU 12 2HB LEU 12 21.112 -8.481 -9.657 89 HB3 LEU 12 1HB LEU 12 21.880 -9.398 -8.375 90 HD11 LEU 12 1HD1 LEU 12 18.763 -8.909 -10.268 91 HD12 LEU 12 2HD1 LEU 12 18.274 -8.415 -8.648 92 HD13 LEU 12 3HD1 LEU 12 17.773 -9.984 -9.280 93 HD21 LEU 12 1HD2 LEU 12 19.396 -11.821 -9.484 94 HD22 LEU 12 2HD2 LEU 12 21.082 -11.583 -9.025 95 HD23 LEU 12 3HD2 LEU 12 20.455 -10.840 -10.497 96 H LYS 13 H LYS 13 22.562 -8.583 -6.160 97 HA LYS 13 HA LYS 13 21.110 -9.964 -4.226 98 HB2 LYS 13 2HB LYS 13 23.528 -10.144 -4.442 99 HB3 LYS 13 1HB LYS 13 23.725 -8.469 -3.964 100 HG2 LYS 13 2HG LYS 13 24.282 -9.984 -2.148 101 HG3 LYS 13 1HG LYS 13 22.886 -8.984 -1.744 102 HD2 LYS 13 2HD LYS 13 21.405 -10.862 -2.349 103 HD3 LYS 13 1HD LYS 13 22.829 -11.854 -2.673 104 HE2 LYS 13 2HE LYS 13 23.548 -11.580 -0.354 105 HE3 LYS 13 1HE LYS 13 22.126 -10.589 -0.030 106 HZ1 LYS 13 1HZ LYS 13 22.059 -13.431 -0.893 107 HZ2 LYS 13 2HZ LYS 13 20.718 -12.478 -0.475 108 HZ3 LYS 13 3HZ LYS 13 21.865 -12.892 0.702 109 H LYS 14 H LYS 14 22.326 -6.635 -4.122 110 HA LYS 14 HA LYS 14 21.344 -5.895 -1.645 111 HB2 LYS 14 2HB LYS 14 22.998 -4.662 -2.946 112 HB3 LYS 14 1HB LYS 14 21.771 -4.241 -4.132 113 HG2 LYS 14 2HG LYS 14 20.681 -2.798 -2.649 114 HG3 LYS 14 1HG LYS 14 21.548 -3.452 -1.254 115 HD2 LYS 14 2HD LYS 14 22.863 -2.000 -3.540 116 HD3 LYS 14 1HD LYS 14 22.389 -1.255 -2.022 117 HE2 LYS 14 2HE LYS 14 24.345 -3.520 -2.341 118 HE3 LYS 14 1HE LYS 14 24.757 -1.842 -1.995 119 HZ1 LYS 14 1HZ LYS 14 23.496 -2.038 0.094 120 HZ2 LYS 14 2HZ LYS 14 24.795 -3.127 0.027 121 HZ3 LYS 14 3HZ LYS 14 23.215 -3.679 -0.232 122 H LEU 15 H LEU 15 19.826 -5.440 -4.847 123 HA LEU 15 HA LEU 15 17.455 -4.265 -3.865 124 HG LEU 15 HG LEU 15 17.434 -3.499 -7.465 125 HB2 LEU 15 2HB LEU 15 18.266 -5.550 -6.425 126 HB3 LEU 15 1HB LEU 15 16.554 -5.330 -6.133 127 HD11 LEU 15 1HD1 LEU 15 16.747 -2.647 -4.657 128 HD12 LEU 15 2HD1 LEU 15 15.604 -3.001 -5.954 129 HD13 LEU 15 3HD1 LEU 15 16.690 -1.616 -6.086 130 HD21 LEU 15 1HD2 LEU 15 19.063 -1.924 -6.552 131 HD22 LEU 15 2HD2 LEU 15 19.750 -3.540 -6.714 132 HD23 LEU 15 3HD2 LEU 15 19.257 -2.946 -5.129 133 H ASN 16 H ASN 16 18.337 -7.599 -4.563 134 HA ASN 16 HA ASN 16 15.836 -8.794 -4.190 135 HB2 ASN 16 2HB ASN 16 17.783 -9.913 -5.223 136 HB3 ASN 16 1HB ASN 16 18.573 -9.965 -3.651 137 HD21 ASN 16 1HD2 ASN 16 16.061 -11.280 -5.643 138 HD22 ASN 16 2HD2 ASN 16 15.714 -12.655 -4.647 139 H ALA 17 H ALA 17 18.516 -8.376 -1.883 140 HA ALA 17 HA ALA 17 17.171 -9.537 0.314 141 HB1 ALA 17 1HB ALA 17 18.936 -8.583 1.683 142 HB2 ALA 17 2HB ALA 17 19.423 -7.529 0.357 143 HB3 ALA 17 3HB ALA 17 19.616 -9.276 0.209 144 H GLN 18 H GLN 18 17.511 -6.186 -0.778 145 HA GLN 18 HA GLN 18 16.264 -4.940 1.402 146 HB2 GLN 18 2HB GLN 18 17.549 -3.673 -0.209 147 HB3 GLN 18 1HB GLN 18 16.430 -4.099 -1.494 148 HG2 GLN 18 2HG GLN 18 14.660 -2.847 -0.356 149 HG3 GLN 18 1HG GLN 18 15.803 -2.393 0.905 150 HE21 GLN 18 1HE2 GLN 18 16.720 -2.625 -2.439 151 HE22 GLN 18 2HE2 GLN 18 16.933 -0.931 -2.704 152 H ALA 19 H ALA 19 14.908 -6.053 -1.693 153 HA ALA 19 HA ALA 19 12.266 -5.238 -1.175 154 HB1 ALA 19 1HB ALA 19 11.628 -6.731 -2.978 155 HB2 ALA 19 2HB ALA 19 13.207 -7.514 -2.909 156 HB3 ALA 19 3HB ALA 19 13.080 -5.826 -3.407 157 H THR 20 H THR 20 14.027 -8.195 -0.412 158 HA THR 20 HA THR 20 11.886 -9.728 0.559 159 HB THR 20 HB THR 20 14.752 -9.730 1.541 160 HG1 THR 20 1HG THR 20 14.581 -10.126 -0.715 161 HG21 THR 20 1HG2 THR 20 14.279 -12.066 2.174 162 HG22 THR 20 2HG2 THR 20 12.592 -11.831 1.717 163 HG23 THR 20 3HG2 THR 20 13.274 -10.922 3.065 164 H ALA 21 H ALA 21 14.043 -7.436 2.194 165 HA ALA 21 HA ALA 21 12.935 -7.660 4.767 166 HB1 ALA 21 1HB ALA 21 14.054 -5.566 5.249 167 HB2 ALA 21 2HB ALA 21 14.269 -5.258 3.527 168 HB3 ALA 21 3HB ALA 21 15.111 -6.605 4.294 169 H LEU 22 H LEU 22 12.227 -5.394 2.118 170 HA LEU 22 HA LEU 22 10.275 -3.891 3.462 171 HG LEU 22 HG LEU 22 10.996 -1.874 0.500 172 HB2 LEU 22 2HB LEU 22 11.053 -4.314 0.635 173 HB3 LEU 22 1HB LEU 22 9.437 -3.693 0.908 174 HD11 LEU 22 1HD1 LEU 22 10.056 -1.991 3.360 175 HD12 LEU 22 2HD1 LEU 22 9.134 -1.418 1.970 176 HD13 LEU 22 3HD1 LEU 22 10.559 -0.530 2.510 177 HD21 LEU 22 1HD2 LEU 22 12.792 -1.361 2.079 178 HD22 LEU 22 2HD2 LEU 22 13.049 -2.912 1.279 179 HD23 LEU 22 3HD2 LEU 22 12.462 -2.865 2.941 180 H LYS 23 H LYS 23 10.021 -6.905 1.633 181 HA LYS 23 HA LYS 23 7.194 -7.033 1.632 182 HB2 LYS 23 2HB LYS 23 8.676 -8.448 0.198 183 HB3 LYS 23 1HB LYS 23 9.129 -9.358 1.634 184 HG2 LYS 23 2HG LYS 23 6.697 -9.880 1.955 185 HG3 LYS 23 1HG LYS 23 6.407 -9.170 0.370 186 HD2 LYS 23 2HD LYS 23 6.570 -11.541 0.107 187 HD3 LYS 23 1HD LYS 23 8.028 -10.818 -0.577 188 HE2 LYS 23 2HE LYS 23 9.332 -11.460 1.291 189 HE3 LYS 23 1HE LYS 23 7.899 -11.863 2.238 190 HZ1 LYS 23 1HZ LYS 23 8.751 -13.299 -0.220 191 HZ2 LYS 23 2HZ LYS 23 7.462 -13.713 0.802 192 HZ3 LYS 23 3HZ LYS 23 9.057 -13.827 1.364 193 H MET 24 H MET 24 9.650 -8.308 3.837 194 HA MET 24 HA MET 24 7.873 -9.657 5.561 195 HB2 MET 24 2HB MET 24 10.637 -8.540 6.071 196 HB3 MET 24 1HB MET 24 9.770 -9.582 7.192 197 HG2 MET 24 2HG MET 24 10.559 -10.324 4.384 198 HG3 MET 24 1HG MET 24 11.423 -10.793 5.847 199 HE1 MET 24 1HE MET 24 10.602 -12.553 7.574 200 HE2 MET 24 2HE MET 24 8.967 -13.212 7.607 201 HE3 MET 24 3HE MET 24 9.232 -11.499 7.926 202 H ASP 25 H ASP 25 9.119 -6.358 5.521 203 HA ASP 25 HA ASP 25 8.029 -5.555 8.014 204 HB2 ASP 25 2HB ASP 25 9.794 -4.365 6.550 205 HB3 ASP 25 1HB ASP 25 8.422 -3.709 5.665 206 H LEU 26 H LEU 26 6.876 -5.215 4.667 207 HA LEU 26 HA LEU 26 4.454 -3.942 5.198 208 HG LEU 26 HG LEU 26 2.679 -5.519 3.101 209 HB2 LEU 26 2HB LEU 26 5.383 -4.175 2.951 210 HB3 LEU 26 1HB LEU 26 5.114 -5.907 3.002 211 HD11 LEU 26 1HD1 LEU 26 3.413 -2.619 2.734 212 HD12 LEU 26 2HD1 LEU 26 2.708 -3.332 4.185 213 HD13 LEU 26 3HD1 LEU 26 1.784 -3.291 2.683 214 HD21 LEU 26 1HD2 LEU 26 3.752 -5.883 0.951 215 HD22 LEU 26 2HD2 LEU 26 4.078 -4.154 0.808 216 HD23 LEU 26 3HD2 LEU 26 2.415 -4.743 0.797 217 H HIS 27 H HIS 27 5.216 -7.398 5.054 218 HA HIS 27 HA HIS 27 2.597 -8.343 5.462 219 HD1 HIS 27 1HD HIS 27 4.938 -11.777 7.421 220 HD2 HIS 27 2HD HIS 27 1.534 -10.778 5.251 221 HE1 HIS 27 1HE HIS 27 3.276 -13.612 7.873 222 HE2 HIS 27 2HE HIS 27 1.285 -13.072 6.418 223 HB2 HIS 27 2HB HIS 27 4.437 -9.764 4.644 224 HB3 HIS 27 1HB HIS 27 5.220 -9.655 6.215 225 H ASP 28 H ASP 28 5.114 -7.337 7.693 226 HA ASP 28 HA ASP 28 3.786 -8.235 10.059 227 HB2 ASP 28 2HB ASP 28 6.204 -7.915 10.022 228 HB3 ASP 28 1HB ASP 28 5.996 -6.203 9.670 229 H LEU 29 H LEU 29 3.972 -5.175 8.319 230 HA LEU 29 HA LEU 29 2.466 -3.656 10.183 231 HG LEU 29 HG LEU 29 1.051 -1.810 8.045 232 HB2 LEU 29 2HB LEU 29 3.925 -2.630 8.503 233 HB3 LEU 29 1HB LEU 29 2.893 -3.234 7.221 234 HD11 LEU 29 1HD1 LEU 29 1.711 -1.704 10.396 235 HD12 LEU 29 2HD1 LEU 29 1.489 -0.093 9.711 236 HD13 LEU 29 3HD1 LEU 29 3.114 -0.730 9.959 237 HD21 LEU 29 1HD2 LEU 29 2.005 0.323 7.327 238 HD22 LEU 29 2HD2 LEU 29 2.526 -1.002 6.286 239 HD23 LEU 29 3HD2 LEU 29 3.627 -0.346 7.496 240 H ALA 30 H ALA 30 1.598 -5.631 7.403 241 HA ALA 30 HA ALA 30 -1.159 -4.928 7.375 242 HB1 ALA 30 1HB ALA 30 0.160 -7.442 6.348 243 HB2 ALA 30 2HB ALA 30 -0.039 -5.942 5.441 244 HB3 ALA 30 3HB ALA 30 -1.456 -6.869 5.937 245 H GLU 31 H GLU 31 0.757 -7.118 9.240 246 HA GLU 31 HA GLU 31 -1.479 -8.590 10.298 247 HB2 GLU 31 2HB GLU 31 1.028 -9.309 10.094 248 HB3 GLU 31 1HB GLU 31 1.214 -8.440 11.610 249 HG2 GLU 31 2HG GLU 31 0.903 -10.738 12.109 250 HG3 GLU 31 1HG GLU 31 -0.563 -9.882 12.580 251 H ASP 32 H ASP 32 0.701 -6.023 11.426 252 HA ASP 32 HA ASP 32 -0.998 -5.562 13.761 253 HB2 ASP 32 2HB ASP 32 1.483 -5.562 14.029 254 HB3 ASP 32 1HB ASP 32 1.567 -4.158 12.969 255 H LEU 33 H LEU 33 -2.767 -4.935 12.426 256 HA LEU 33 HA LEU 33 -2.525 -2.477 10.919 257 HG LEU 33 HG LEU 33 -2.828 -4.500 9.192 258 HB2 LEU 33 2HB LEU 33 -4.469 -4.698 11.029 259 HB3 LEU 33 1HB LEU 33 -5.110 -3.118 10.607 260 HD11 LEU 33 1HD1 LEU 33 -5.677 -4.048 8.321 261 HD12 LEU 33 2HD1 LEU 33 -4.973 -5.596 8.790 262 HD13 LEU 33 3HD1 LEU 33 -4.393 -4.765 7.347 263 HD21 LEU 33 1HD2 LEU 33 -2.675 -2.025 9.203 264 HD22 LEU 33 2HD2 LEU 33 -4.292 -1.950 8.501 265 HD23 LEU 33 3HD2 LEU 33 -2.972 -2.684 7.591 266 HA PRO 34 HA PRO 34 -3.902 0.986 11.793 267 HB2 PRO 34 2HB PRO 34 -6.071 0.265 13.742 268 HB3 PRO 34 1HB PRO 34 -5.881 1.742 12.784 269 HG2 PRO 34 2HG PRO 34 -7.349 -0.479 11.988 270 HG3 PRO 34 1HG PRO 34 -6.712 0.765 10.896 271 HD2 PRO 34 2HD PRO 34 -5.958 -1.963 10.958 272 HD3 PRO 34 1HD PRO 34 -5.122 -0.657 10.089 273 H THR 35 H THR 35 -2.336 1.651 12.681 274 HA THR 35 HA THR 35 -1.793 2.179 15.358 275 HB THR 35 HB THR 35 0.425 0.684 15.246 276 HG1 THR 35 1HG THR 35 -0.056 -1.385 14.359 277 HG21 THR 35 1HG2 THR 35 -1.143 0.647 17.117 278 HG22 THR 35 2HG2 THR 35 -0.629 -0.988 16.700 279 HG23 THR 35 3HG2 THR 35 -2.222 -0.413 16.207 280 H GLY 36 H GLY 36 0.040 0.932 12.623 281 HA2 GLY 36 2HA GLY 36 1.134 3.630 12.131 282 HA3 GLY 36 1HA GLY 36 2.007 2.141 11.788 283 H TRP 37 H TRP 37 -1.393 2.553 11.177 284 HA TRP 37 HA TRP 37 -1.361 1.663 8.573 285 HD1 TRP 37 HD TRP 37 -3.339 3.043 12.196 286 HE1 TRP 37 1HE TRP 37 -4.325 5.337 12.846 287 HE3 TRP 37 3HE TRP 37 -4.120 4.937 7.508 288 HZ2 TRP 37 2HZ TRP 37 -5.300 7.640 11.530 289 HZ3 TRP 37 3HZ TRP 37 -5.083 7.192 7.295 290 HH2 TRP 37 HH TRP 37 -5.661 8.514 9.263 291 HB2 TRP 37 2HB TRP 37 -3.644 2.605 8.398 292 HB3 TRP 37 1HB TRP 37 -3.394 1.671 9.866 293 H ASN 38 H ASN 38 -0.604 4.843 9.747 294 HA ASN 38 HA ASN 38 -1.004 6.227 7.297 295 HB2 ASN 38 2HB ASN 38 -0.732 7.394 9.460 296 HB3 ASN 38 1HB ASN 38 0.942 6.853 9.534 297 HD21 ASN 38 1HD2 ASN 38 2.472 7.817 8.212 298 HD22 ASN 38 2HD2 ASN 38 2.152 9.282 7.345 299 H ARG 39 H ARG 39 1.517 4.218 8.577 300 HA ARG 39 HA ARG 39 3.542 4.985 6.658 301 HE ARG 39 HE ARG 39 8.016 2.588 7.986 302 HB2 ARG 39 2HB ARG 39 4.039 4.220 8.977 303 HB3 ARG 39 1HB ARG 39 3.427 2.629 8.556 304 HG2 ARG 39 2HG ARG 39 5.204 2.436 6.855 305 HG3 ARG 39 1HG ARG 39 5.844 3.992 7.393 306 HD2 ARG 39 2HD ARG 39 6.239 3.101 9.609 307 HD3 ARG 39 1HD ARG 39 5.500 1.567 9.156 308 HH11 ARG 39 1HH1 ARG 39 6.026 -0.043 9.190 309 HH12 ARG 39 2HH1 ARG 39 7.202 -1.271 8.802 310 HH21 ARG 39 1HH2 ARG 39 9.561 0.987 7.525 311 HH22 ARG 39 2HH2 ARG 39 9.220 -0.685 7.888 312 H ILE 40 H ILE 40 0.797 3.074 6.532 313 HA ILE 40 HA ILE 40 1.485 0.825 5.072 314 HB ILE 40 HB ILE 40 -0.990 2.531 5.048 315 HG12 ILE 40 2HG1 ILE 40 -0.408 -0.274 6.027 316 HG13 ILE 40 1HG1 ILE 40 -0.540 1.169 7.031 317 HG21 ILE 40 1HG2 ILE 40 -0.639 -0.038 3.503 318 HG22 ILE 40 2HG2 ILE 40 -0.769 1.574 2.796 319 HG23 ILE 40 3HG2 ILE 40 -2.132 0.888 3.678 320 HD11 ILE 40 1HD1 ILE 40 -2.877 1.388 6.443 321 HD12 ILE 40 2HD1 ILE 40 -2.553 -0.209 7.115 322 HD13 ILE 40 3HD1 ILE 40 -2.761 -0.009 5.374 323 H MET 41 H MET 41 0.915 4.119 3.915 324 HA MET 41 HA MET 41 1.197 3.542 1.159 325 HB2 MET 41 2HB MET 41 1.661 6.130 2.655 326 HB3 MET 41 1HB MET 41 1.603 5.980 0.906 327 HG2 MET 41 2HG MET 41 -0.648 5.392 2.809 328 HG3 MET 41 1HG MET 41 -0.496 6.811 1.772 329 HE1 MET 41 1HE MET 41 0.622 5.567 -0.956 330 HE2 MET 41 2HE MET 41 -0.672 6.761 -0.849 331 HE3 MET 41 3HE MET 41 -0.902 5.294 -1.802 332 H GLU 42 H GLU 42 3.468 4.842 3.555 333 HA GLU 42 HA GLU 42 5.675 5.173 1.900 334 HB2 GLU 42 2HB GLU 42 5.478 4.528 4.846 335 HB3 GLU 42 1HB GLU 42 7.013 4.822 4.060 336 HG2 GLU 42 2HG GLU 42 6.514 6.872 4.960 337 HG3 GLU 42 1HG GLU 42 5.940 7.044 3.305 338 H VAL 43 H VAL 43 4.719 2.296 3.762 339 HA VAL 43 HA VAL 43 6.990 0.771 3.025 340 HB VAL 43 HB VAL 43 4.256 -0.254 3.823 341 HG11 VAL 43 1HG1 VAL 43 5.644 -1.959 2.760 342 HG12 VAL 43 2HG1 VAL 43 5.470 -2.285 4.484 343 HG13 VAL 43 3HG1 VAL 43 6.967 -1.589 3.865 344 HG21 VAL 43 1HG2 VAL 43 6.688 0.349 5.509 345 HG22 VAL 43 2HG2 VAL 43 5.211 -0.427 6.083 346 HG23 VAL 43 3HG2 VAL 43 5.167 1.242 5.514 347 H ALA 44 H ALA 44 3.645 0.784 1.763 348 HA ALA 44 HA ALA 44 3.976 -1.148 -0.215 349 HB1 ALA 44 1HB ALA 44 2.000 -0.199 -1.278 350 HB2 ALA 44 2HB ALA 44 2.156 1.257 -0.295 351 HB3 ALA 44 3HB ALA 44 1.790 -0.290 0.471 352 H GLU 45 H GLU 45 4.571 2.330 -0.328 353 HA GLU 45 HA GLU 45 5.149 2.612 -3.036 354 HB2 GLU 45 2HB GLU 45 6.099 4.045 -0.559 355 HB3 GLU 45 1HB GLU 45 6.597 4.548 -2.156 356 HG2 GLU 45 2HG GLU 45 4.259 4.933 -2.766 357 HG3 GLU 45 1HG GLU 45 3.766 4.421 -1.154 358 H LYS 46 H LYS 46 7.436 2.068 -0.342 359 HA LYS 46 HA LYS 46 9.638 1.872 -2.163 360 HB2 LYS 46 2HB LYS 46 9.265 1.870 0.747 361 HB3 LYS 46 1HB LYS 46 10.600 0.868 0.193 362 HG2 LYS 46 2HG LYS 46 11.292 3.160 0.752 363 HG3 LYS 46 1HG LYS 46 11.608 2.744 -0.933 364 HD2 LYS 46 2HD LYS 46 10.725 4.956 -0.904 365 HD3 LYS 46 1HD LYS 46 9.452 3.900 -1.516 366 HE2 LYS 46 2HE LYS 46 8.460 5.426 0.025 367 HE3 LYS 46 1HE LYS 46 8.501 3.842 0.795 368 HZ1 LYS 46 1HZ LYS 46 9.182 5.528 2.343 369 HZ2 LYS 46 2HZ LYS 46 10.380 6.088 1.287 370 HZ3 LYS 46 3HZ LYS 46 10.517 4.545 1.981 371 H THR 47 H THR 47 7.512 -0.453 -0.609 372 HA THR 47 HA THR 47 9.082 -2.748 -1.109 373 HB THR 47 HB THR 47 6.070 -2.530 -0.888 374 HG1 THR 47 1HG THR 47 7.182 -3.612 1.256 375 HG21 THR 47 1HG2 THR 47 6.132 -4.915 -0.324 376 HG22 THR 47 2HG2 THR 47 7.873 -4.941 -0.602 377 HG23 THR 47 3HG2 THR 47 6.771 -4.639 -1.945 378 H TYR 48 H TYR 48 6.391 -1.305 -2.995 379 HA TYR 48 HA TYR 48 6.535 -3.212 -5.074 380 HD1 TYR 48 1HD TYR 48 4.343 -3.608 -6.634 381 HD2 TYR 48 2HD TYR 48 5.724 0.353 -7.361 382 HE1 TYR 48 1HE TYR 48 3.885 -3.894 -9.031 383 HE2 TYR 48 2HE TYR 48 5.264 0.078 -9.761 384 HH TYR 48 HH TYR 48 3.454 -2.540 -11.000 385 HB2 TYR 48 2HB TYR 48 4.535 -1.848 -4.796 386 HB3 TYR 48 1HB TYR 48 5.454 -0.386 -5.147 387 H GLU 49 H GLU 49 7.861 0.082 -4.802 388 HA GLU 49 HA GLU 49 9.099 0.164 -7.312 389 HB2 GLU 49 2HB GLU 49 9.720 1.519 -4.681 390 HB3 GLU 49 1HB GLU 49 10.591 1.881 -6.154 391 HG2 GLU 49 2HG GLU 49 7.619 2.165 -5.833 392 HG3 GLU 49 1HG GLU 49 8.774 3.480 -5.625 393 H ALA 50 H ALA 50 10.178 -1.262 -4.271 394 HA ALA 50 HA ALA 50 12.849 -1.769 -5.119 395 HB1 ALA 50 1HB ALA 50 12.984 -3.289 -3.225 396 HB2 ALA 50 2HB ALA 50 11.231 -3.226 -3.026 397 HB3 ALA 50 3HB ALA 50 12.206 -1.782 -2.751 398 H TYR 51 H TYR 51 9.895 -3.756 -5.055 399 HA TYR 51 HA TYR 51 11.140 -6.045 -6.168 400 HD1 TYR 51 1HD TYR 51 10.118 -8.482 -5.967 401 HD2 TYR 51 2HD TYR 51 8.351 -5.689 -3.286 402 HE1 TYR 51 1HE TYR 51 10.440 -10.066 -4.117 403 HE2 TYR 51 2HE TYR 51 8.666 -7.271 -1.426 404 HH TYR 51 HH TYR 51 10.639 -10.014 -1.658 405 HB2 TYR 51 2HB TYR 51 8.346 -5.236 -5.582 406 HB3 TYR 51 1HB TYR 51 8.590 -6.547 -6.730 407 H ARG 52 H ARG 52 9.478 -3.295 -7.604 408 HA ARG 52 HA ARG 52 9.228 -4.422 -10.185 409 HE ARG 52 HE ARG 52 8.813 -0.391 -11.824 410 HB2 ARG 52 2HB ARG 52 8.678 -2.234 -10.949 411 HB3 ARG 52 1HB ARG 52 7.995 -2.398 -9.346 412 HG2 ARG 52 2HG ARG 52 9.807 -1.084 -8.428 413 HG3 ARG 52 1HG ARG 52 10.551 -0.966 -10.026 414 HD2 ARG 52 2HD ARG 52 7.851 0.112 -9.220 415 HD3 ARG 52 1HD ARG 52 9.314 1.057 -9.498 416 HH11 ARG 52 1HH1 ARG 52 7.316 2.146 -9.922 417 HH12 ARG 52 2HH1 ARG 52 6.484 2.847 -11.286 418 HH21 ARG 52 1HH2 ARG 52 7.746 0.523 -13.612 419 HH22 ARG 52 2HH2 ARG 52 6.745 1.935 -13.399 420 H GLN 53 H GLN 53 11.754 -2.463 -8.662 421 HA GLN 53 HA GLN 53 13.449 -2.362 -10.969 422 HB2 GLN 53 2HB GLN 53 13.383 -1.009 -8.628 423 HB3 GLN 53 1HB GLN 53 14.609 -2.199 -8.224 424 HG2 GLN 53 2HG GLN 53 14.720 -0.315 -10.570 425 HG3 GLN 53 1HG GLN 53 15.547 -0.077 -9.035 426 HE21 GLN 53 1HE2 GLN 53 15.558 -1.671 -12.073 427 HE22 GLN 53 2HE2 GLN 53 17.085 -2.462 -11.895 428 H LEU 54 H LEU 54 13.131 -4.453 -8.145 429 HA LEU 54 HA LEU 54 15.346 -6.102 -8.512 430 HG LEU 54 HG LEU 54 15.397 -7.954 -6.801 431 HB2 LEU 54 2HB LEU 54 13.718 -6.068 -6.564 432 HB3 LEU 54 1HB LEU 54 12.628 -7.011 -7.556 433 HD11 LEU 54 1HD1 LEU 54 12.758 -8.496 -5.453 434 HD12 LEU 54 2HD1 LEU 54 14.129 -7.616 -4.775 435 HD13 LEU 54 3HD1 LEU 54 14.268 -9.341 -5.116 436 HD21 LEU 54 1HD2 LEU 54 14.395 -9.061 -8.754 437 HD22 LEU 54 2HD2 LEU 54 12.972 -9.459 -7.789 438 HD23 LEU 54 3HD2 LEU 54 14.539 -10.156 -7.379 439 H ASP 55 H ASP 55 12.027 -6.480 -9.773 440 HA ASP 55 HA ASP 55 12.594 -8.864 -11.202 441 HB2 ASP 55 2HB ASP 55 10.306 -8.150 -10.518 442 HB3 ASP 55 1HB ASP 55 10.373 -6.876 -11.732 443 H GLU 56 H GLU 56 12.675 -5.460 -12.075 444 HA GLU 56 HA GLU 56 13.180 -5.796 -14.831 445 HB2 GLU 56 2HB GLU 56 13.740 -3.617 -12.845 446 HB3 GLU 56 1HB GLU 56 14.355 -3.490 -14.482 447 HG2 GLU 56 2HG GLU 56 12.056 -3.717 -15.333 448 HG3 GLU 56 1HG GLU 56 11.473 -3.766 -13.669 449 H PHE 57 H PHE 57 15.398 -5.400 -12.086 450 HA PHE 57 HA PHE 57 17.773 -5.718 -13.591 451 HD1 PHE 57 2HD PHE 57 19.943 -7.450 -11.206 452 HD2 PHE 57 1HD PHE 57 18.876 -3.375 -11.800 453 HE1 PHE 57 2HE PHE 57 22.327 -6.841 -11.293 454 HE2 PHE 57 1HE PHE 57 21.252 -2.756 -11.884 455 HZ PHE 57 HZ PHE 57 22.983 -4.491 -11.631 456 HB2 PHE 57 2HB PHE 57 17.260 -4.971 -11.058 457 HB3 PHE 57 1HB PHE 57 17.695 -6.651 -10.765 458 H ARG 58 H ARG 58 15.610 -7.908 -11.956 459 HA ARG 58 HA ARG 58 16.957 -10.326 -12.114 460 HE ARG 58 HE ARG 58 13.195 -13.958 -11.920 461 HB2 ARG 58 2HB ARG 58 14.943 -10.120 -10.852 462 HB3 ARG 58 1HB ARG 58 14.033 -9.607 -12.260 463 HG2 ARG 58 2HG ARG 58 14.445 -11.915 -13.202 464 HG3 ARG 58 1HG ARG 58 15.027 -12.355 -11.592 465 HD2 ARG 58 2HD ARG 58 12.871 -11.560 -10.653 466 HD3 ARG 58 1HD ARG 58 12.300 -11.267 -12.293 467 HH11 ARG 58 1HH1 ARG 58 10.477 -11.761 -11.558 468 HH12 ARG 58 2HH1 ARG 58 9.299 -13.038 -11.394 469 HH21 ARG 58 1HH2 ARG 58 11.650 -15.638 -11.690 470 HH22 ARG 58 2HH2 ARG 58 9.971 -15.245 -11.452 471 H LYS 59 H LYS 59 14.693 -8.903 -14.488 472 HA LYS 59 HA LYS 59 15.010 -11.039 -16.346 473 HB2 LYS 59 2HB LYS 59 13.720 -8.356 -16.391 474 HB3 LYS 59 1HB LYS 59 14.071 -9.118 -17.935 475 HG2 LYS 59 2HG LYS 59 11.777 -9.534 -17.111 476 HG3 LYS 59 1HG LYS 59 12.705 -11.005 -17.390 477 HD2 LYS 59 2HD LYS 59 13.121 -11.234 -15.021 478 HD3 LYS 59 1HD LYS 59 12.325 -9.692 -14.700 479 HE2 LYS 59 2HE LYS 59 10.966 -12.080 -15.937 480 HE3 LYS 59 1HE LYS 59 10.922 -11.694 -14.218 481 HZ1 LYS 59 1HZ LYS 59 9.942 -9.908 -16.382 482 HZ2 LYS 59 2HZ LYS 59 9.835 -9.623 -14.711 483 HZ3 LYS 59 3HZ LYS 59 8.960 -10.897 -15.412 484 H SER 60 H SER 60 16.628 -7.985 -15.859 485 HA SER 60 HA SER 60 18.077 -7.989 -18.289 486 HG SER 60 HG SER 60 16.904 -5.825 -16.132 487 HB2 SER 60 2HB SER 60 18.838 -6.696 -15.662 488 HB3 SER 60 1HB SER 60 19.447 -6.262 -17.260 489 H THR 61 H THR 61 18.922 -9.084 -15.015 490 HA THR 61 HA THR 61 21.517 -9.983 -15.811 491 HB THR 61 HB THR 61 20.940 -9.277 -13.465 492 HG1 THR 61 1HG THR 61 21.942 -11.883 -13.233 493 HG21 THR 61 1HG2 THR 61 19.948 -10.918 -11.959 494 HG22 THR 61 2HG2 THR 61 19.676 -12.013 -13.317 495 HG23 THR 61 3HG2 THR 61 18.817 -10.475 -13.238 496 H ALA 62 H ALA 62 18.350 -11.463 -15.628 497 HA ALA 62 HA ALA 62 19.168 -14.164 -15.725 498 HB1 ALA 62 1HB ALA 62 16.620 -12.951 -16.791 499 HB2 ALA 62 2HB ALA 62 16.884 -13.494 -15.134 500 HB3 ALA 62 3HB ALA 62 16.900 -14.659 -16.456 501 H SER 63 H SER 63 18.974 -11.692 -18.125 502 HA SER 63 HA SER 63 19.064 -13.422 -20.395 503 HG SER 63 HG SER 63 17.699 -10.832 -19.536 504 HB2 SER 63 2HB SER 63 19.866 -10.507 -20.175 505 HB3 SER 63 1HB SER 63 19.508 -11.386 -21.662 506 H LEU 64 H LEU 64 21.401 -11.880 -18.310 507 HA LEU 64 HA LEU 64 23.671 -12.554 -19.941 508 HG LEU 64 HG LEU 64 25.728 -10.400 -17.753 509 HB2 LEU 64 2HB LEU 64 23.468 -10.572 -18.346 510 HB3 LEU 64 1HB LEU 64 23.676 -11.720 -17.043 511 HD11 LEU 64 1HD1 LEU 64 25.879 -12.404 -16.368 512 HD12 LEU 64 2HD1 LEU 64 27.241 -12.284 -17.482 513 HD13 LEU 64 3HD1 LEU 64 25.924 -13.408 -17.819 514 HD21 LEU 64 1HD2 LEU 64 25.582 -12.283 -20.103 515 HD22 LEU 64 2HD2 LEU 64 26.960 -11.259 -19.695 516 HD23 LEU 64 3HD2 LEU 64 25.422 -10.529 -20.154 517 H GLU 65 H GLU 65 22.119 -13.783 -17.030 518 HA GLU 65 HA GLU 65 23.971 -15.876 -16.573 519 HB2 GLU 65 2HB GLU 65 21.195 -15.292 -15.585 520 HB3 GLU 65 1HB GLU 65 22.081 -16.716 -15.096 521 HG2 GLU 65 2HG GLU 65 23.868 -15.266 -14.207 522 HG3 GLU 65 1HG GLU 65 22.884 -13.862 -14.625 523 H HIS 66 H HIS 66 21.536 -15.433 -18.797 524 HA HIS 66 HA HIS 66 20.577 -16.691 -20.405 525 HD1 HIS 66 1HD HIS 66 22.489 -16.886 -22.769 526 HD2 HIS 66 2HD HIS 66 20.933 -20.573 -21.624 527 HE1 HIS 66 1HE HIS 66 21.810 -18.030 -24.904 528 HE2 HIS 66 2HE HIS 66 21.108 -20.342 -24.203 529 HB2 HIS 66 2HB HIS 66 23.060 -17.608 -20.333 530 HB3 HIS 66 1HB HIS 66 22.272 -19.045 -19.709 531 H HIS 67 H HIS 67 18.727 -16.598 -19.096 532 HA HIS 67 HA HIS 67 18.130 -18.093 -16.881 533 HD1 HIS 67 1HD HIS 67 16.368 -14.951 -19.657 534 HD2 HIS 67 2HD HIS 67 15.019 -18.880 -19.909 535 HE1 HIS 67 1HE HIS 67 15.217 -15.133 -21.880 536 HE2 HIS 67 2HE HIS 67 14.299 -17.478 -21.964 537 HB2 HIS 67 2HB HIS 67 15.755 -17.620 -17.313 538 HB3 HIS 67 1HB HIS 67 16.766 -16.203 -17.552 539 H HIS 68 H HIS 68 17.041 -19.941 -16.389 540 HA HIS 68 HA HIS 68 17.311 -22.068 -18.349 541 HD1 HIS 68 1HD HIS 68 18.537 -24.596 -15.147 542 HD2 HIS 68 2HD HIS 68 19.354 -20.690 -16.328 543 HE1 HIS 68 1HE HIS 68 20.983 -24.235 -14.671 544 HE2 HIS 68 2HE HIS 68 21.406 -21.813 -15.220 545 HB2 HIS 68 2HB HIS 68 16.459 -22.099 -15.440 546 HB3 HIS 68 1HB HIS 68 16.629 -23.537 -16.436 547 H HIS 69 H HIS 69 15.600 -23.354 -19.109 548 HA HIS 69 HA HIS 69 12.883 -22.482 -18.495 549 HD1 HIS 69 1HD HIS 69 13.072 -23.695 -22.884 550 HD2 HIS 69 2HD HIS 69 16.150 -21.451 -21.215 551 HE1 HIS 69 1HE HIS 69 15.004 -23.902 -24.475 552 HE2 HIS 69 2HE HIS 69 16.923 -22.765 -23.304 553 HB2 HIS 69 2HB HIS 69 12.316 -22.311 -20.922 554 HB3 HIS 69 1HB HIS 69 13.406 -21.056 -20.358 555 H HIS 70 H HIS 70 13.710 -24.720 -17.535 556 HA HIS 70 HA HIS 70 13.060 -26.875 -17.293 557 HD1 HIS 70 1HD HIS 70 9.864 -24.605 -19.220 558 HD2 HIS 70 2HD HIS 70 10.437 -27.351 -16.146 559 HE1 HIS 70 1HE HIS 70 8.207 -23.983 -17.433 560 HE2 HIS 70 2HE HIS 70 8.735 -25.517 -15.502 561 HB2 HIS 70 2HB HIS 70 11.496 -26.396 -19.834 562 HB3 HIS 70 1HB HIS 70 11.411 -27.875 -18.884 563 H HIS 71 H HIS 71 13.743 -28.907 -17.848 564 HA HIS 71 HA HIS 71 14.892 -29.551 -20.378 565 HD1 HIS 71 1HD HIS 71 18.776 -27.462 -19.389 566 HD2 HIS 71 2HD HIS 71 16.142 -29.289 -22.042 567 HE1 HIS 71 1HE HIS 71 19.473 -26.690 -21.682 568 HE2 HIS 71 2HE HIS 71 17.803 -27.729 -23.266 569 HB2 HIS 71 2HB HIS 71 16.655 -28.512 -18.277 570 HB3 HIS 71 1HB HIS 71 17.134 -30.104 -18.853 571 HA MET 1 HA MET 1 -30.323 21.060 -1.288 572 H1 MET 1 1H MET 1 -28.445 22.285 -2.096 573 H2 MET 1 2H MET 1 -27.499 21.775 -0.788 574 H3 MET 1 3H MET 1 -28.820 22.797 -0.524 575 HB2 MET 1 2HB MET 1 -27.738 19.501 -1.442 576 HB3 MET 1 1HB MET 1 -29.314 18.727 -1.362 577 HG2 MET 1 2HG MET 1 -28.587 18.799 -3.637 578 HG3 MET 1 1HG MET 1 -29.957 19.886 -3.435 579 HE1 MET 1 1HE MET 1 -27.856 21.681 -6.188 580 HE2 MET 1 2HE MET 1 -29.440 21.044 -5.751 581 HE3 MET 1 3HE MET 1 -28.080 19.943 -5.991 582 H SER 2 H SER 2 -30.471 18.815 0.159 583 HA SER 2 HA SER 2 -30.693 19.768 2.805 584 HG SER 2 HG SER 2 -32.178 17.743 0.663 585 HB2 SER 2 2HB SER 2 -30.633 16.871 1.955 586 HB3 SER 2 1HB SER 2 -31.411 17.554 3.379 587 H GLU 3 H GLU 3 -29.330 19.769 4.440 588 HA GLU 3 HA GLU 3 -26.914 18.113 4.321 589 HB2 GLU 3 2HB GLU 3 -26.296 20.356 3.554 590 HB3 GLU 3 1HB GLU 3 -26.999 21.060 5.000 591 HG2 GLU 3 2HG GLU 3 -25.322 20.001 6.375 592 HG3 GLU 3 1HG GLU 3 -24.650 19.175 4.969 593 H GLY 4 H GLY 4 -26.597 17.042 6.142 594 HA2 GLY 4 2HA GLY 4 -26.898 17.861 8.740 595 HA3 GLY 4 1HA GLY 4 -28.488 17.275 8.271 596 H ALA 5 H ALA 5 -28.011 15.768 10.052 597 HA ALA 5 HA ALA 5 -25.880 13.985 10.119 598 HB1 ALA 5 1HB ALA 5 -28.666 13.544 11.179 599 HB2 ALA 5 2HB ALA 5 -27.372 14.410 12.009 600 HB3 ALA 5 3HB ALA 5 -27.209 12.685 11.678 601 H GLU 6 H GLU 6 -28.849 13.789 8.260 602 HA GLU 6 HA GLU 6 -28.831 11.033 7.723 603 HB2 GLU 6 2HB GLU 6 -29.814 13.274 5.951 604 HB3 GLU 6 1HB GLU 6 -30.234 11.574 5.782 605 HG2 GLU 6 2HG GLU 6 -31.224 11.665 8.057 606 HG3 GLU 6 1HG GLU 6 -30.944 13.403 8.056 607 H GLU 7 H GLU 7 -27.533 13.718 5.844 608 HA GLU 7 HA GLU 7 -26.295 12.195 3.811 609 HB2 GLU 7 2HB GLU 7 -26.781 14.695 3.826 610 HB3 GLU 7 1HB GLU 7 -25.374 14.880 4.858 611 HG2 GLU 7 2HG GLU 7 -24.697 15.390 2.655 612 HG3 GLU 7 1HG GLU 7 -24.015 13.816 3.055 613 H LEU 8 H LEU 8 -25.210 13.366 6.924 614 HA LEU 8 HA LEU 8 -22.503 12.656 6.704 615 HG LEU 8 HG LEU 8 -22.736 14.949 9.586 616 HB2 LEU 8 2HB LEU 8 -24.396 13.307 8.901 617 HB3 LEU 8 1HB LEU 8 -22.906 12.518 9.340 618 HD11 LEU 8 1HD1 LEU 8 -20.718 13.709 9.037 619 HD12 LEU 8 2HD1 LEU 8 -20.696 15.310 8.298 620 HD13 LEU 8 3HD1 LEU 8 -21.062 13.890 7.317 621 HD21 LEU 8 1HD2 LEU 8 -22.765 16.408 7.626 622 HD22 LEU 8 2HD2 LEU 8 -24.325 15.622 7.871 623 HD23 LEU 8 3HD2 LEU 8 -23.233 15.040 6.614 624 H LYS 9 H LYS 9 -25.252 10.949 8.197 625 HA LYS 9 HA LYS 9 -23.845 8.671 8.995 626 HB2 LYS 9 2HB LYS 9 -26.124 9.518 9.710 627 HB3 LYS 9 1HB LYS 9 -26.749 8.818 8.230 628 HG2 LYS 9 2HG LYS 9 -26.189 6.623 8.933 629 HG3 LYS 9 1HG LYS 9 -25.285 7.242 10.321 630 HD2 LYS 9 2HD LYS 9 -27.460 6.463 11.021 631 HD3 LYS 9 1HD LYS 9 -27.349 8.203 11.223 632 HE2 LYS 9 2HE LYS 9 -28.520 8.459 9.039 633 HE3 LYS 9 1HE LYS 9 -28.756 6.711 9.009 634 HZ1 LYS 9 1HZ LYS 9 -30.033 6.879 11.053 635 HZ2 LYS 9 2HZ LYS 9 -30.704 7.883 9.859 636 HZ3 LYS 9 3HZ LYS 9 -29.774 8.556 11.110 637 H ALA 10 H ALA 10 -25.648 9.378 6.035 638 HA ALA 10 HA ALA 10 -25.477 6.816 4.893 639 HB1 ALA 10 1HB ALA 10 -25.577 9.488 3.495 640 HB2 ALA 10 2HB ALA 10 -26.970 8.556 4.047 641 HB3 ALA 10 3HB ALA 10 -25.937 7.924 2.765 642 H LYS 11 H LYS 11 -23.327 9.633 4.655 643 HA LYS 11 HA LYS 11 -21.467 8.379 2.896 644 HB2 LYS 11 2HB LYS 11 -21.693 10.855 3.255 645 HB3 LYS 11 1HB LYS 11 -20.929 10.647 4.822 646 HG2 LYS 11 2HG LYS 11 -18.915 9.802 3.751 647 HG3 LYS 11 1HG LYS 11 -19.678 9.968 2.169 648 HD2 LYS 11 2HD LYS 11 -19.845 12.386 2.502 649 HD3 LYS 11 1HD LYS 11 -19.099 12.224 4.094 650 HE2 LYS 11 2HE LYS 11 -17.069 11.344 3.053 651 HE3 LYS 11 1HE LYS 11 -17.820 11.486 1.463 652 HZ1 LYS 11 1HZ LYS 11 -17.955 13.879 1.776 653 HZ2 LYS 11 2HZ LYS 11 -16.350 13.347 1.912 654 HZ3 LYS 11 3HZ LYS 11 -17.229 13.746 3.303 655 H LEU 12 H LEU 12 -21.549 8.861 6.400 656 HA LEU 12 HA LEU 12 -19.128 7.689 7.096 657 HG LEU 12 HG LEU 12 -20.222 5.958 9.555 658 HB2 LEU 12 2HB LEU 12 -20.517 8.848 8.713 659 HB3 LEU 12 1HB LEU 12 -21.764 7.625 8.566 660 HD11 LEU 12 1HD1 LEU 12 -18.106 6.978 8.869 661 HD12 LEU 12 2HD1 LEU 12 -18.154 6.696 10.609 662 HD13 LEU 12 3HD1 LEU 12 -18.397 8.323 9.972 663 HD21 LEU 12 1HD2 LEU 12 -21.805 7.160 10.963 664 HD22 LEU 12 2HD2 LEU 12 -20.629 8.453 11.200 665 HD23 LEU 12 3HD2 LEU 12 -20.307 6.839 11.834 666 H LYS 13 H LYS 13 -22.289 6.156 6.646 667 HA LYS 13 HA LYS 13 -21.633 3.545 7.328 668 HB2 LYS 13 2HB LYS 13 -23.924 4.376 6.817 669 HB3 LYS 13 1HB LYS 13 -23.497 4.417 5.116 670 HG2 LYS 13 2HG LYS 13 -24.775 2.427 5.621 671 HG3 LYS 13 1HG LYS 13 -23.133 2.004 5.135 672 HD2 LYS 13 2HD LYS 13 -22.533 1.797 7.536 673 HD3 LYS 13 1HD LYS 13 -24.224 2.083 7.949 674 HE2 LYS 13 2HE LYS 13 -23.143 -0.204 6.306 675 HE3 LYS 13 1HE LYS 13 -23.734 -0.298 7.962 676 HZ1 LYS 13 1HZ LYS 13 -25.432 -1.058 6.489 677 HZ2 LYS 13 2HZ LYS 13 -25.322 0.339 5.536 678 HZ3 LYS 13 3HZ LYS 13 -25.924 0.440 7.120 679 H LYS 14 H LYS 14 -21.448 5.130 4.173 680 HA LYS 14 HA LYS 14 -20.548 2.881 2.738 681 HB2 LYS 14 2HB LYS 14 -21.534 5.046 1.816 682 HB3 LYS 14 1HB LYS 14 -19.937 5.747 2.035 683 HG2 LYS 14 2HG LYS 14 -20.337 4.988 -0.266 684 HG3 LYS 14 1HG LYS 14 -18.972 4.169 0.494 685 HD2 LYS 14 2HD LYS 14 -20.372 2.230 0.956 686 HD3 LYS 14 1HD LYS 14 -21.766 3.052 0.257 687 HE2 LYS 14 2HE LYS 14 -20.792 1.457 -1.313 688 HE3 LYS 14 1HE LYS 14 -20.664 3.109 -1.912 689 HZ1 LYS 14 1HZ LYS 14 -18.360 3.163 -1.223 690 HZ2 LYS 14 2HZ LYS 14 -18.627 1.846 -2.260 691 HZ3 LYS 14 3HZ LYS 14 -18.477 1.591 -0.588 692 H LEU 15 H LEU 15 -18.760 5.608 4.167 693 HA LEU 15 HA LEU 15 -16.219 4.709 3.279 694 HG LEU 15 HG LEU 15 -15.644 8.250 3.941 695 HB2 LEU 15 2HB LEU 15 -17.198 6.781 5.166 696 HB3 LEU 15 1HB LEU 15 -15.527 6.281 5.316 697 HD11 LEU 15 1HD1 LEU 15 -13.953 6.627 3.336 698 HD12 LEU 15 2HD1 LEU 15 -14.569 7.431 1.891 699 HD13 LEU 15 3HD1 LEU 15 -15.096 5.794 2.283 700 HD21 LEU 15 1HD2 LEU 15 -17.943 8.074 3.181 701 HD22 LEU 15 2HD2 LEU 15 -17.519 6.692 2.171 702 HD23 LEU 15 3HD2 LEU 15 -16.849 8.284 1.815 703 H ASN 16 H ASN 16 -18.025 4.249 6.270 704 HA ASN 16 HA ASN 16 -15.988 3.051 7.790 705 HB2 ASN 16 2HB ASN 16 -18.222 3.819 8.655 706 HB3 ASN 16 1HB ASN 16 -18.945 2.401 7.906 707 HD21 ASN 16 1HD2 ASN 16 -19.652 1.545 9.828 708 HD22 ASN 16 2HD2 ASN 16 -18.580 0.880 11.009 709 H ALA 17 H ALA 17 -18.432 1.658 5.638 710 HA ALA 17 HA ALA 17 -17.643 -1.043 5.963 711 HB1 ALA 17 1HB ALA 17 -19.841 -0.378 5.085 712 HB2 ALA 17 2HB ALA 17 -19.003 -1.489 4.003 713 HB3 ALA 17 3HB ALA 17 -19.060 0.233 3.625 714 H GLN 18 H GLN 18 -16.729 1.475 3.664 715 HA GLN 18 HA GLN 18 -15.183 -0.110 1.933 716 HB2 GLN 18 2HB GLN 18 -15.890 2.143 1.339 717 HB3 GLN 18 1HB GLN 18 -14.924 2.819 2.643 718 HG2 GLN 18 2HG GLN 18 -12.887 2.053 1.537 719 HG3 GLN 18 1HG GLN 18 -13.854 1.367 0.230 720 HE21 GLN 18 1HE2 GLN 18 -14.809 2.738 -1.271 721 HE22 GLN 18 2HE2 GLN 18 -14.389 4.408 -1.392 722 H ALA 19 H ALA 19 -14.185 1.895 4.706 723 HA ALA 19 HA ALA 19 -11.463 1.280 4.650 724 HB1 ALA 19 1HB ALA 19 -12.415 3.093 5.997 725 HB2 ALA 19 2HB ALA 19 -11.407 2.023 6.970 726 HB3 ALA 19 3HB ALA 19 -13.164 1.905 7.064 727 H THR 20 H THR 20 -14.164 -0.384 6.159 728 HA THR 20 HA THR 20 -12.723 -2.267 7.658 729 HB THR 20 HB THR 20 -15.465 -2.551 6.406 730 HG1 THR 20 1HG THR 20 -15.345 -0.756 7.808 731 HG21 THR 20 1HG2 THR 20 -14.202 -4.043 8.711 732 HG22 THR 20 2HG2 THR 20 -14.597 -4.710 7.127 733 HG23 THR 20 3HG2 THR 20 -15.886 -4.175 8.207 734 H ALA 21 H ALA 21 -14.011 -2.418 4.355 735 HA ALA 21 HA ALA 21 -13.271 -5.114 3.881 736 HB1 ALA 21 1HB ALA 21 -13.785 -2.933 1.864 737 HB2 ALA 21 2HB ALA 21 -15.017 -3.958 2.603 738 HB3 ALA 21 3HB ALA 21 -13.787 -4.668 1.555 739 H LEU 22 H LEU 22 -11.763 -2.028 2.963 740 HA LEU 22 HA LEU 22 -9.649 -3.145 1.482 741 HG LEU 22 HG LEU 22 -9.728 0.379 0.471 742 HB2 LEU 22 2HB LEU 22 -10.199 -0.495 2.704 743 HB3 LEU 22 1HB LEU 22 -8.552 -0.836 2.212 744 HD11 LEU 22 1HD1 LEU 22 -9.333 -1.144 -1.404 745 HD12 LEU 22 2HD1 LEU 22 -9.218 -2.493 -0.274 746 HD13 LEU 22 3HD1 LEU 22 -8.026 -1.194 -0.219 747 HD21 LEU 22 1HD2 LEU 22 -11.648 -1.946 0.439 748 HD22 LEU 22 2HD2 LEU 22 -11.609 -0.630 -0.735 749 HD23 LEU 22 3HD2 LEU 22 -12.010 -0.298 0.951 750 H LYS 23 H LYS 23 -9.948 -2.407 4.912 751 HA LYS 23 HA LYS 23 -7.275 -2.552 5.663 752 HB2 LYS 23 2HB LYS 23 -9.123 -1.840 7.162 753 HB3 LYS 23 1HB LYS 23 -9.657 -3.513 7.264 754 HG2 LYS 23 2HG LYS 23 -7.473 -4.113 8.244 755 HG3 LYS 23 1HG LYS 23 -7.025 -2.409 8.225 756 HD2 LYS 23 2HD LYS 23 -7.777 -2.946 10.425 757 HD3 LYS 23 1HD LYS 23 -9.022 -1.953 9.664 758 HE2 LYS 23 2HE LYS 23 -10.317 -3.960 9.158 759 HE3 LYS 23 1HE LYS 23 -9.061 -4.961 9.882 760 HZ1 LYS 23 1HZ LYS 23 -9.470 -3.886 12.005 761 HZ2 LYS 23 2HZ LYS 23 -10.889 -4.604 11.416 762 HZ3 LYS 23 3HZ LYS 23 -10.682 -2.922 11.311 763 H MET 24 H MET 24 -9.680 -5.187 5.656 764 HA MET 24 HA MET 24 -7.700 -7.106 6.421 765 HB2 MET 24 2HB MET 24 -10.594 -7.297 5.682 766 HB3 MET 24 1HB MET 24 -9.612 -8.751 5.842 767 HG2 MET 24 2HG MET 24 -9.008 -8.009 8.132 768 HG3 MET 24 1HG MET 24 -10.146 -6.674 7.955 769 HE1 MET 24 1HE MET 24 -10.053 -9.030 10.237 770 HE2 MET 24 2HE MET 24 -11.782 -9.301 10.461 771 HE3 MET 24 3HE MET 24 -11.158 -7.657 10.310 772 H ASP 25 H ASP 25 -9.027 -6.014 3.388 773 HA ASP 25 HA ASP 25 -8.239 -8.231 1.819 774 HB2 ASP 25 2HB ASP 25 -9.796 -6.349 1.105 775 HB3 ASP 25 1HB ASP 25 -8.354 -5.371 0.841 776 H LEU 26 H LEU 26 -6.601 -5.251 2.757 777 HA LEU 26 HA LEU 26 -4.218 -5.632 1.307 778 HG LEU 26 HG LEU 26 -2.235 -4.552 3.439 779 HB2 LEU 26 2HB LEU 26 -4.851 -3.505 2.357 780 HB3 LEU 26 1HB LEU 26 -4.650 -4.224 3.944 781 HD11 LEU 26 1HD1 LEU 26 -2.867 -2.896 1.000 782 HD12 LEU 26 2HD1 LEU 26 -2.378 -4.591 1.004 783 HD13 LEU 26 3HD1 LEU 26 -1.256 -3.347 1.554 784 HD21 LEU 26 1HD2 LEU 26 -1.627 -2.188 3.692 785 HD22 LEU 26 2HD2 LEU 26 -2.977 -2.640 4.735 786 HD23 LEU 26 3HD2 LEU 26 -3.272 -1.728 3.253 787 H HIS 27 H HIS 27 -5.229 -6.703 4.510 788 HA HIS 27 HA HIS 27 -2.846 -7.837 5.408 789 HD1 HIS 27 1HD HIS 27 -5.843 -11.065 6.095 790 HD2 HIS 27 2HD HIS 27 -2.690 -9.403 8.260 791 HE1 HIS 27 1HE HIS 27 -4.942 -12.923 7.539 792 HE2 HIS 27 2HE HIS 27 -3.121 -11.868 8.920 793 HB2 HIS 27 2HB HIS 27 -4.623 -7.682 6.963 794 HB3 HIS 27 1HB HIS 27 -5.735 -8.537 5.901 795 H ASP 28 H ASP 28 -5.496 -9.355 3.596 796 HA ASP 28 HA ASP 28 -4.172 -11.860 3.355 797 HB2 ASP 28 2HB ASP 28 -6.610 -10.684 2.023 798 HB3 ASP 28 1HB ASP 28 -6.008 -12.293 1.623 799 H LEU 29 H LEU 29 -4.216 -8.950 1.458 800 HA LEU 29 HA LEU 29 -3.049 -9.970 -0.896 801 HG LEU 29 HG LEU 29 -1.115 -7.597 -1.454 802 HB2 LEU 29 2HB LEU 29 -4.048 -7.730 -0.752 803 HB3 LEU 29 1HB LEU 29 -2.780 -7.232 0.351 804 HD11 LEU 29 1HD1 LEU 29 -1.877 -7.878 -3.746 805 HD12 LEU 29 2HD1 LEU 29 -3.546 -7.998 -3.191 806 HD13 LEU 29 3HD1 LEU 29 -2.379 -9.243 -2.750 807 HD21 LEU 29 1HD2 LEU 29 -2.010 -5.376 -1.012 808 HD22 LEU 29 2HD2 LEU 29 -3.357 -5.685 -2.108 809 HD23 LEU 29 3HD2 LEU 29 -1.710 -5.598 -2.734 810 H ALA 30 H ALA 30 -1.689 -8.806 2.152 811 HA ALA 30 HA ALA 30 1.031 -9.013 1.389 812 HB1 ALA 30 1HB ALA 30 -0.147 -9.224 4.155 813 HB2 ALA 30 2HB ALA 30 0.284 -7.721 3.343 814 HB3 ALA 30 3HB ALA 30 1.536 -8.893 3.755 815 H GLU 31 H GLU 31 -1.325 -11.304 2.493 816 HA GLU 31 HA GLU 31 0.484 -13.438 3.042 817 HB2 GLU 31 2HB GLU 31 -2.478 -13.242 2.555 818 HB3 GLU 31 1HB GLU 31 -1.684 -14.788 2.794 819 HG2 GLU 31 2HG GLU 31 -1.527 -12.528 4.763 820 HG3 GLU 31 1HG GLU 31 -2.764 -13.782 4.817 821 H ASP 32 H ASP 32 -0.862 -12.060 0.202 822 HA ASP 32 HA ASP 32 -0.054 -14.399 -1.403 823 HB2 ASP 32 2HB ASP 32 -2.520 -13.541 -1.378 824 HB3 ASP 32 1HB ASP 32 -1.900 -12.261 -2.419 825 H LEU 33 H LEU 33 1.524 -12.127 -0.373 826 HA LEU 33 HA LEU 33 2.147 -10.236 -2.274 827 HG LEU 33 HG LEU 33 2.016 -9.487 0.351 828 HB2 LEU 33 2HB LEU 33 3.532 -11.396 0.066 829 HB3 LEU 33 1HB LEU 33 4.506 -10.457 -1.055 830 HD11 LEU 33 1HD1 LEU 33 3.927 -9.668 1.854 831 HD12 LEU 33 2HD1 LEU 33 3.527 -7.980 1.530 832 HD13 LEU 33 3HD1 LEU 33 4.908 -8.729 0.728 833 HD21 LEU 33 1HD2 LEU 33 3.880 -8.114 -1.580 834 HD22 LEU 33 2HD2 LEU 33 2.631 -7.301 -0.634 835 HD23 LEU 33 3HD2 LEU 33 2.181 -8.503 -1.846 836 HA PRO 34 HA PRO 34 4.683 -10.192 -5.545 837 HB2 PRO 34 2HB PRO 34 6.268 -12.532 -4.531 838 HB3 PRO 34 1HB PRO 34 6.742 -11.315 -5.732 839 HG2 PRO 34 2HG PRO 34 7.129 -11.059 -2.974 840 HG3 PRO 34 1HG PRO 34 7.126 -9.719 -4.132 841 HD2 PRO 34 2HD PRO 34 5.270 -10.060 -2.048 842 HD3 PRO 34 1HD PRO 34 5.025 -9.022 -3.478 843 H THR 35 H THR 35 2.437 -12.329 -4.658 844 HA THR 35 HA THR 35 2.369 -13.537 -7.326 845 HB THR 35 HB THR 35 0.345 -13.881 -5.105 846 HG1 THR 35 1HG THR 35 2.441 -14.644 -4.481 847 HG21 THR 35 1HG2 THR 35 -0.258 -15.916 -6.354 848 HG22 THR 35 2HG2 THR 35 0.928 -15.497 -7.593 849 HG23 THR 35 3HG2 THR 35 -0.476 -14.463 -7.326 850 H GLY 36 H GLY 36 0.280 -11.663 -5.146 851 HA2 GLY 36 2HA GLY 36 -0.888 -10.318 -7.497 852 HA3 GLY 36 1HA GLY 36 -1.620 -10.388 -5.900 853 H TRP 37 H TRP 37 1.736 -9.633 -6.658 854 HA TRP 37 HA TRP 37 1.776 -7.420 -4.891 855 HD1 TRP 37 HD TRP 37 3.062 -10.041 -7.946 856 HE1 TRP 37 1HE TRP 37 4.405 -9.755 -10.133 857 HE3 TRP 37 3HE TRP 37 5.577 -5.754 -6.788 858 HZ2 TRP 37 2HZ TRP 37 6.289 -7.948 -11.202 859 HZ3 TRP 37 3HZ TRP 37 7.136 -4.816 -8.439 860 HH2 TRP 37 HH TRP 37 7.484 -5.891 -10.601 861 HB2 TRP 37 2HB TRP 37 4.079 -7.140 -5.555 862 HB3 TRP 37 1HB TRP 37 3.743 -8.858 -5.380 863 H ASN 38 H ASN 38 0.611 -7.654 -8.020 864 HA ASN 38 HA ASN 38 1.264 -5.020 -8.886 865 HB2 ASN 38 2HB ASN 38 -0.544 -5.526 -10.592 866 HB3 ASN 38 1HB ASN 38 0.858 -6.574 -10.615 867 HD21 ASN 38 1HD2 ASN 38 -0.223 -8.234 -11.609 868 HD22 ASN 38 2HD2 ASN 38 -1.442 -9.182 -10.810 869 H ARG 39 H ARG 39 -0.834 -6.243 -6.581 870 HA ARG 39 HA ARG 39 -2.734 -4.035 -6.848 871 HE ARG 39 HE ARG 39 -5.176 -8.357 -8.071 872 HB2 ARG 39 2HB ARG 39 -2.739 -6.427 -5.006 873 HB3 ARG 39 1HB ARG 39 -4.005 -5.228 -5.127 874 HG2 ARG 39 2HG ARG 39 -4.440 -5.903 -7.427 875 HG3 ARG 39 1HG ARG 39 -3.162 -7.117 -7.303 876 HD2 ARG 39 2HD ARG 39 -4.422 -8.075 -5.341 877 HD3 ARG 39 1HD ARG 39 -5.747 -6.992 -5.758 878 HH11 ARG 39 1HH1 ARG 39 -6.170 -9.194 -4.803 879 HH12 ARG 39 2HH1 ARG 39 -6.949 -10.670 -5.294 880 HH21 ARG 39 1HH2 ARG 39 -6.219 -10.286 -8.702 881 HH22 ARG 39 2HH2 ARG 39 -6.957 -11.302 -7.504 882 H ILE 40 H ILE 40 0.172 -4.613 -5.341 883 HA ILE 40 HA ILE 40 -0.214 -4.159 -2.637 884 HB ILE 40 HB ILE 40 2.148 -3.452 -4.375 885 HG12 ILE 40 2HG1 ILE 40 1.671 -5.708 -2.419 886 HG13 ILE 40 1HG1 ILE 40 1.637 -5.844 -4.174 887 HG21 ILE 40 1HG2 ILE 40 3.459 -3.186 -2.343 888 HG22 ILE 40 2HG2 ILE 40 2.018 -3.445 -1.362 889 HG23 ILE 40 3HG2 ILE 40 2.140 -2.015 -2.389 890 HD11 ILE 40 1HD1 ILE 40 4.034 -5.090 -2.516 891 HD12 ILE 40 2HD1 ILE 40 3.996 -5.251 -4.271 892 HD13 ILE 40 3HD1 ILE 40 3.733 -6.665 -3.250 893 H MET 41 H MET 41 0.612 -1.718 -5.108 894 HA MET 41 HA MET 41 0.390 0.397 -3.169 895 HB2 MET 41 2HB MET 41 0.723 0.519 -6.169 896 HB3 MET 41 1HB MET 41 0.768 1.913 -5.097 897 HG2 MET 41 2HG MET 41 2.687 0.848 -3.916 898 HG3 MET 41 1HG MET 41 2.696 -0.392 -5.167 899 HE1 MET 41 1HE MET 41 1.993 3.474 -5.434 900 HE2 MET 41 2HE MET 41 3.583 4.073 -5.903 901 HE3 MET 41 3HE MET 41 3.345 3.376 -4.302 902 H GLU 42 H GLU 42 -1.673 -0.999 -5.615 903 HA GLU 42 HA GLU 42 -3.554 1.093 -5.774 904 HB2 GLU 42 2HB GLU 42 -3.386 -0.780 -7.398 905 HB3 GLU 42 1HB GLU 42 -4.027 -1.865 -6.177 906 HG2 GLU 42 2HG GLU 42 -6.118 -0.690 -6.146 907 HG3 GLU 42 1HG GLU 42 -5.488 0.542 -7.237 908 H VAL 43 H VAL 43 -3.715 -1.986 -4.013 909 HA VAL 43 HA VAL 43 -6.101 -1.421 -2.645 910 HB VAL 43 HB VAL 43 -3.850 -3.255 -1.779 911 HG11 VAL 43 1HG1 VAL 43 -5.584 -4.402 -0.460 912 HG12 VAL 43 2HG1 VAL 43 -6.736 -3.142 -0.902 913 HG13 VAL 43 3HG1 VAL 43 -5.330 -2.742 0.082 914 HG21 VAL 43 1HG2 VAL 43 -5.162 -5.028 -2.809 915 HG22 VAL 43 2HG2 VAL 43 -4.749 -3.792 -3.998 916 HG23 VAL 43 3HG2 VAL 43 -6.376 -3.852 -3.318 917 H ALA 44 H ALA 44 -2.712 -1.028 -1.628 918 HA ALA 44 HA ALA 44 -3.201 -0.119 0.970 919 HB1 ALA 44 1HB ALA 44 -0.898 0.606 -0.833 920 HB2 ALA 44 2HB ALA 44 -0.998 -0.830 0.184 921 HB3 ALA 44 3HB ALA 44 -0.938 0.769 0.924 922 H GLU 45 H GLU 45 -2.900 1.682 -2.067 923 HA GLU 45 HA GLU 45 -2.976 4.271 -1.020 924 HB2 GLU 45 2HB GLU 45 -2.468 3.666 -3.397 925 HB3 GLU 45 1HB GLU 45 -4.180 3.357 -3.639 926 HG2 GLU 45 2HG GLU 45 -4.635 5.719 -3.025 927 HG3 GLU 45 1HG GLU 45 -2.893 5.990 -2.971 928 H LYS 46 H LYS 46 -5.675 2.298 -2.278 929 HA LYS 46 HA LYS 46 -7.677 4.169 -1.605 930 HB2 LYS 46 2HB LYS 46 -7.671 1.301 -2.398 931 HB3 LYS 46 1HB LYS 46 -9.121 1.927 -1.632 932 HG2 LYS 46 2HG LYS 46 -9.671 2.333 -3.791 933 HG3 LYS 46 1HG LYS 46 -8.816 3.834 -3.451 934 HD2 LYS 46 2HD LYS 46 -7.352 1.468 -4.560 935 HD3 LYS 46 1HD LYS 46 -8.285 2.519 -5.622 936 HE2 LYS 46 2HE LYS 46 -6.090 3.448 -3.778 937 HE3 LYS 46 1HE LYS 46 -5.880 3.105 -5.492 938 HZ1 LYS 46 1HZ LYS 46 -6.175 5.416 -5.294 939 HZ2 LYS 46 2HZ LYS 46 -7.498 5.256 -4.249 940 HZ3 LYS 46 3HZ LYS 46 -7.654 4.824 -5.886 941 H THR 47 H THR 47 -6.247 1.484 0.172 942 HA THR 47 HA THR 47 -8.034 1.415 2.334 943 HB THR 47 HB THR 47 -5.060 0.831 2.379 944 HG1 THR 47 1HG THR 47 -6.111 -0.488 0.868 945 HG21 THR 47 1HG2 THR 47 -5.981 1.087 4.622 946 HG22 THR 47 2HG2 THR 47 -5.600 -0.606 4.302 947 HG23 THR 47 3HG2 THR 47 -7.272 -0.050 4.237 948 H TYR 48 H TYR 48 -4.992 3.234 1.903 949 HA TYR 48 HA TYR 48 -5.152 4.546 4.400 950 HD1 TYR 48 1HD TYR 48 -2.963 5.452 5.533 951 HD2 TYR 48 2HD TYR 48 -3.442 7.719 1.967 952 HE1 TYR 48 1HE TYR 48 -2.223 7.471 6.724 953 HE2 TYR 48 2HE TYR 48 -2.695 9.743 3.147 954 HH TYR 48 HH TYR 48 -1.347 9.619 6.348 955 HB2 TYR 48 2HB TYR 48 -3.044 4.399 3.173 956 HB3 TYR 48 1HB TYR 48 -3.707 5.400 1.883 957 H GLU 49 H GLU 49 -6.163 5.492 1.123 958 HA GLU 49 HA GLU 49 -7.032 8.069 1.627 959 HB2 GLU 49 2HB GLU 49 -8.146 5.971 -0.231 960 HB3 GLU 49 1HB GLU 49 -8.670 7.641 -0.233 961 HG2 GLU 49 2HG GLU 49 -6.408 8.357 -0.794 962 HG3 GLU 49 1HG GLU 49 -5.888 6.669 -0.799 963 H ALA 50 H ALA 50 -8.797 5.014 1.999 964 HA ALA 50 HA ALA 50 -11.284 6.089 2.673 965 HB1 ALA 50 1HB ALA 50 -10.951 3.743 2.079 966 HB2 ALA 50 2HB ALA 50 -11.797 3.901 3.617 967 HB3 ALA 50 3HB ALA 50 -10.085 3.479 3.592 968 H TYR 51 H TYR 51 -8.703 4.922 4.861 969 HA TYR 51 HA TYR 51 -10.074 5.695 7.214 970 HD1 TYR 51 1HD TYR 51 -8.153 2.737 5.854 971 HD2 TYR 51 2HD TYR 51 -9.013 4.256 9.731 972 HE1 TYR 51 1HE TYR 51 -8.957 0.517 6.544 973 HE2 TYR 51 2HE TYR 51 -9.815 2.042 10.427 974 HH TYR 51 HH TYR 51 -9.391 -0.769 8.439 975 HB2 TYR 51 2HB TYR 51 -7.252 4.898 6.605 976 HB3 TYR 51 1HB TYR 51 -7.664 5.531 8.194 977 H ARG 52 H ARG 52 -7.700 7.307 5.182 978 HA ARG 52 HA ARG 52 -7.171 9.489 6.885 979 HE ARG 52 HE ARG 52 -3.630 12.468 5.839 980 HB2 ARG 52 2HB ARG 52 -5.820 8.848 4.876 981 HB3 ARG 52 1HB ARG 52 -7.115 9.466 3.862 982 HG2 ARG 52 2HG ARG 52 -5.337 11.081 4.049 983 HG3 ARG 52 1HG ARG 52 -6.802 11.690 4.819 984 HD2 ARG 52 2HD ARG 52 -5.947 11.127 7.003 985 HD3 ARG 52 1HD ARG 52 -4.527 10.364 6.291 986 HH11 ARG 52 1HH1 ARG 52 -6.840 12.747 7.200 987 HH12 ARG 52 2HH1 ARG 52 -6.664 14.419 7.627 988 HH21 ARG 52 1HH2 ARG 52 -3.369 14.642 6.388 989 HH22 ARG 52 2HH2 ARG 52 -4.658 15.508 7.173 990 H GLN 53 H GLN 53 -9.381 9.181 4.115 991 HA GLN 53 HA GLN 53 -10.604 11.717 4.463 992 HB2 GLN 53 2HB GLN 53 -10.633 10.163 2.397 993 HB3 GLN 53 1HB GLN 53 -11.946 9.324 3.204 994 HG2 GLN 53 2HG GLN 53 -12.067 12.275 2.707 995 HG3 GLN 53 1HG GLN 53 -12.512 11.113 1.461 996 HE21 GLN 53 1HE2 GLN 53 -13.616 9.211 3.378 997 HE22 GLN 53 2HE2 GLN 53 -15.120 9.874 3.902 998 H LEU 54 H LEU 54 -11.242 8.528 5.808 999 HA LEU 54 HA LEU 54 -13.779 9.015 6.898 1000 HG LEU 54 HG LEU 54 -13.475 7.503 9.591 1001 HB2 LEU 54 2HB LEU 54 -12.723 6.784 6.755 1002 HB3 LEU 54 1HB LEU 54 -11.587 7.256 8.003 1003 HD11 LEU 54 1HD1 LEU 54 -15.107 6.337 7.341 1004 HD12 LEU 54 2HD1 LEU 54 -15.241 7.977 7.973 1005 HD13 LEU 54 3HD1 LEU 54 -15.661 6.602 8.994 1006 HD21 LEU 54 1HD2 LEU 54 -13.292 4.810 8.251 1007 HD22 LEU 54 2HD2 LEU 54 -13.875 5.117 9.885 1008 HD23 LEU 54 3HD2 LEU 54 -12.187 5.429 9.478 1009 H ASP 55 H ASP 55 -10.533 9.543 8.262 1010 HA ASP 55 HA ASP 55 -11.479 10.590 10.734 1011 HB2 ASP 55 2HB ASP 55 -9.185 9.730 10.472 1012 HB3 ASP 55 1HB ASP 55 -8.812 11.051 9.367 1013 H GLU 56 H GLU 56 -10.575 12.048 7.650 1014 HA GLU 56 HA GLU 56 -10.908 14.741 8.376 1015 HB2 GLU 56 2HB GLU 56 -11.253 13.310 5.744 1016 HB3 GLU 56 1HB GLU 56 -11.418 15.052 5.900 1017 HG2 GLU 56 2HG GLU 56 -8.955 13.453 6.557 1018 HG3 GLU 56 1HG GLU 56 -9.207 14.417 5.102 1019 H PHE 57 H PHE 57 -13.191 12.360 7.127 1020 HA PHE 57 HA PHE 57 -15.495 13.933 7.087 1021 HD1 PHE 57 2HD PHE 57 -17.758 12.521 5.649 1022 HD2 PHE 57 1HD PHE 57 -16.731 10.570 9.289 1023 HE1 PHE 57 2HE PHE 57 -20.143 12.165 6.133 1024 HE2 PHE 57 1HE PHE 57 -19.110 10.215 9.775 1025 HZ PHE 57 HZ PHE 57 -20.817 11.014 8.200 1026 HB2 PHE 57 2HB PHE 57 -15.495 11.758 6.077 1027 HB3 PHE 57 1HB PHE 57 -15.075 10.985 7.600 1028 H ARG 58 H ARG 58 -14.098 11.985 9.700 1029 HA ARG 58 HA ARG 58 -16.154 12.517 11.568 1030 HE ARG 58 HE ARG 58 -14.590 9.968 14.460 1031 HB2 ARG 58 2HB ARG 58 -13.334 11.498 11.872 1032 HB3 ARG 58 1HB ARG 58 -14.471 11.599 13.199 1033 HG2 ARG 58 2HG ARG 58 -16.021 10.142 11.891 1034 HG3 ARG 58 1HG ARG 58 -14.724 9.930 10.718 1035 HD2 ARG 58 2HD ARG 58 -14.729 8.054 12.208 1036 HD3 ARG 58 1HD ARG 58 -13.298 9.030 12.537 1037 HH11 ARG 58 1HH1 ARG 58 -15.390 6.801 13.156 1038 HH12 ARG 58 2HH1 ARG 58 -16.086 6.232 14.643 1039 HH21 ARG 58 1HH2 ARG 58 -15.484 9.200 16.409 1040 HH22 ARG 58 2HH2 ARG 58 -16.106 7.577 16.501 1041 H LYS 59 H LYS 59 -13.261 14.143 10.634 1042 HA LYS 59 HA LYS 59 -13.158 16.012 12.796 1043 HB2 LYS 59 2HB LYS 59 -11.210 15.472 11.416 1044 HB3 LYS 59 1HB LYS 59 -12.029 16.072 9.988 1045 HG2 LYS 59 2HG LYS 59 -12.021 18.337 11.001 1046 HG3 LYS 59 1HG LYS 59 -11.067 17.682 12.338 1047 HD2 LYS 59 2HD LYS 59 -9.335 16.978 10.776 1048 HD3 LYS 59 1HD LYS 59 -10.284 17.594 9.426 1049 HE2 LYS 59 2HE LYS 59 -10.121 19.856 10.371 1050 HE3 LYS 59 1HE LYS 59 -9.126 19.222 11.683 1051 HZ1 LYS 59 1HZ LYS 59 -7.524 18.463 9.993 1052 HZ2 LYS 59 2HZ LYS 59 -7.717 20.147 9.997 1053 HZ3 LYS 59 3HZ LYS 59 -8.455 19.212 8.788 1054 H SER 60 H SER 60 -14.527 15.996 9.552 1055 HA SER 60 HA SER 60 -15.448 18.676 9.635 1056 HG SER 60 HG SER 60 -17.353 18.023 6.750 1057 HB2 SER 60 2HB SER 60 -15.026 17.339 7.538 1058 HB3 SER 60 1HB SER 60 -16.510 16.449 7.888 1059 H THR 61 H THR 61 -16.921 15.566 10.423 1060 HA THR 61 HA THR 61 -19.502 16.706 10.903 1061 HB THR 61 HB THR 61 -19.098 14.258 10.362 1062 HG1 THR 61 1HG THR 61 -20.577 14.612 12.766 1063 HG21 THR 61 1HG2 THR 61 -18.405 14.100 13.299 1064 HG22 THR 61 2HG2 THR 61 -17.261 13.890 11.977 1065 HG23 THR 61 3HG2 THR 61 -18.583 12.740 12.187 1066 H ALA 62 H ALA 62 -16.581 16.437 12.718 1067 HA ALA 62 HA ALA 62 -17.706 16.674 15.323 1068 HB1 ALA 62 1HB ALA 62 -15.458 17.181 16.062 1069 HB2 ALA 62 2HB ALA 62 -14.946 17.466 14.399 1070 HB3 ALA 62 3HB ALA 62 -15.419 15.846 14.906 1071 H SER 63 H SER 63 -16.565 18.971 12.908 1072 HA SER 63 HA SER 63 -16.907 21.273 14.534 1073 HG SER 63 HG SER 63 -17.494 20.298 11.225 1074 HB2 SER 63 2HB SER 63 -16.862 22.476 12.278 1075 HB3 SER 63 1HB SER 63 -15.452 21.518 12.712 1076 H LEU 64 H LEU 64 -19.152 19.267 12.963 1077 HA LEU 64 HA LEU 64 -21.206 21.356 12.996 1078 HG LEU 64 HG LEU 64 -21.982 19.885 9.716 1079 HB2 LEU 64 2HB LEU 64 -20.982 18.716 11.630 1080 HB3 LEU 64 1HB LEU 64 -22.580 19.338 11.988 1081 HD11 LEU 64 1HD1 LEU 64 -21.855 22.338 11.459 1082 HD12 LEU 64 2HD1 LEU 64 -23.324 21.503 10.957 1083 HD13 LEU 64 3HD1 LEU 64 -22.302 22.291 9.755 1084 HD21 LEU 64 1HD2 LEU 64 -19.560 19.834 9.898 1085 HD22 LEU 64 2HD2 LEU 64 -19.586 21.302 10.875 1086 HD23 LEU 64 3HD2 LEU 64 -20.096 21.356 9.188 1087 H GLU 65 H GLU 65 -20.464 18.199 14.344 1088 HA GLU 65 HA GLU 65 -22.936 17.908 15.727 1089 HB2 GLU 65 2HB GLU 65 -21.315 16.072 14.982 1090 HB3 GLU 65 1HB GLU 65 -20.370 16.488 16.400 1091 HG2 GLU 65 2HG GLU 65 -22.268 15.945 17.835 1092 HG3 GLU 65 1HG GLU 65 -23.223 15.531 16.413 1093 H HIS 66 H HIS 66 -20.148 19.656 16.317 1094 HA HIS 66 HA HIS 66 -21.109 20.326 18.997 1095 HD1 HIS 66 1HD HIS 66 -20.153 19.436 21.601 1096 HD2 HIS 66 2HD HIS 66 -17.082 21.747 19.999 1097 HE1 HIS 66 1HE HIS 66 -19.234 20.779 23.520 1098 HE2 HIS 66 2HE HIS 66 -17.504 22.301 22.492 1099 HB2 HIS 66 2HB HIS 66 -19.232 18.677 19.212 1100 HB3 HIS 66 1HB HIS 66 -18.183 19.827 18.391 1101 H HIS 67 H HIS 67 -18.242 21.217 17.111 1102 HA HIS 67 HA HIS 67 -19.073 23.568 15.953 1103 HD1 HIS 67 1HD HIS 67 -17.405 26.904 18.276 1104 HD2 HIS 67 2HD HIS 67 -20.678 25.489 16.134 1105 HE1 HIS 67 1HE HIS 67 -18.441 28.926 17.200 1106 HE2 HIS 67 2HE HIS 67 -20.570 28.069 16.157 1107 HB2 HIS 67 2HB HIS 67 -19.302 24.064 18.590 1108 HB3 HIS 67 1HB HIS 67 -17.594 24.441 18.394 1109 H HIS 68 H HIS 68 -16.453 22.537 18.086 1110 HA HIS 68 HA HIS 68 -14.704 22.026 15.864 1111 HD1 HIS 68 1HD HIS 68 -11.388 23.247 18.108 1112 HD2 HIS 68 2HD HIS 68 -12.717 23.745 14.196 1113 HE1 HIS 68 1HE HIS 68 -9.341 23.045 16.661 1114 HE2 HIS 68 2HE HIS 68 -10.139 23.533 14.319 1115 HB2 HIS 68 2HB HIS 68 -14.395 24.503 16.385 1116 HB3 HIS 68 1HB HIS 68 -13.791 24.011 17.964 1117 H HIS 69 H HIS 69 -13.544 20.262 16.372 1118 HA HIS 69 HA HIS 69 -12.760 18.467 17.539 1119 HD1 HIS 69 1HD HIS 69 -12.606 18.274 21.815 1120 HD2 HIS 69 2HD HIS 69 -10.044 17.932 18.556 1121 HE1 HIS 69 1HE HIS 69 -10.963 16.475 22.428 1122 HE2 HIS 69 2HE HIS 69 -9.270 16.493 20.558 1123 HB2 HIS 69 2HB HIS 69 -11.671 20.318 18.967 1124 HB3 HIS 69 1HB HIS 69 -12.986 20.049 20.103 1125 H HIS 70 H HIS 70 -13.898 16.686 18.045 1126 HA HIS 70 HA HIS 70 -16.664 16.758 18.126 1127 HD1 HIS 70 1HD HIS 70 -16.348 12.612 19.991 1128 HD2 HIS 70 2HD HIS 70 -18.372 15.027 17.280 1129 HE1 HIS 70 1HE HIS 70 -18.649 11.618 19.785 1130 HE2 HIS 70 2HE HIS 70 -19.916 13.209 18.289 1131 HB2 HIS 70 2HB HIS 70 -15.248 14.777 17.534 1132 HB3 HIS 70 1HB HIS 70 -14.964 14.526 19.254 1133 H HIS 71 H HIS 71 -14.543 15.984 20.888 1134 HA HIS 71 HA HIS 71 -16.298 17.578 22.576 1135 HD1 HIS 71 1HD HIS 71 -17.685 13.389 22.547 1136 HD2 HIS 71 2HD HIS 71 -18.587 17.242 23.828 1137 HE1 HIS 71 1HE HIS 71 -20.192 13.550 22.495 1138 HE2 HIS 71 2HE HIS 71 -20.713 15.807 23.482 1139 HB2 HIS 71 2HB HIS 71 -15.654 14.678 23.051 1140 HB3 HIS 71 1HB HIS 71 -15.928 15.758 24.413 Start of MODEL 6 1 HA MET 1 HA MET 1 25.327 0.723 -17.898 2 H1 MET 1 1H MET 1 27.655 2.514 -18.278 3 H2 MET 1 2H MET 1 26.747 2.387 -16.853 4 H3 MET 1 3H MET 1 26.016 2.967 -18.270 5 HB2 MET 1 2HB MET 1 25.721 1.475 -20.227 6 HB3 MET 1 1HB MET 1 27.372 0.884 -20.122 7 HG2 MET 1 2HG MET 1 26.501 -1.396 -19.760 8 HG3 MET 1 1HG MET 1 24.865 -0.775 -19.970 9 HE1 MET 1 1HE MET 1 25.296 1.395 -22.257 10 HE2 MET 1 2HE MET 1 23.957 0.249 -22.281 11 HE3 MET 1 3HE MET 1 24.973 0.449 -23.710 12 H SER 2 H SER 2 25.936 -0.465 -16.172 13 HA SER 2 HA SER 2 28.708 -1.335 -15.920 14 HG SER 2 HG SER 2 28.313 -0.047 -13.233 15 HB2 SER 2 2HB SER 2 26.362 -1.740 -14.052 16 HB3 SER 2 1HB SER 2 28.056 -2.072 -13.686 17 H GLU 3 H GLU 3 29.231 -3.574 -15.491 18 HA GLU 3 HA GLU 3 27.327 -5.604 -16.276 19 HB2 GLU 3 2HB GLU 3 28.775 -6.494 -18.070 20 HB3 GLU 3 1HB GLU 3 28.166 -4.890 -18.451 21 HG2 GLU 3 2HG GLU 3 30.297 -3.906 -17.822 22 HG3 GLU 3 1HG GLU 3 30.915 -5.497 -17.384 23 H GLY 4 H GLY 4 28.777 -7.768 -16.470 24 HA2 GLY 4 2HA GLY 4 30.465 -9.098 -15.519 25 HA3 GLY 4 1HA GLY 4 30.879 -7.766 -14.450 26 H ALA 5 H ALA 5 30.428 -10.573 -13.815 27 HA ALA 5 HA ALA 5 27.905 -10.877 -12.548 28 HB1 ALA 5 1HB ALA 5 28.863 -12.870 -11.533 29 HB2 ALA 5 2HB ALA 5 30.477 -12.363 -12.029 30 HB3 ALA 5 3HB ALA 5 29.277 -12.791 -13.247 31 H GLU 6 H GLU 6 30.909 -9.442 -11.641 32 HA GLU 6 HA GLU 6 30.636 -9.411 -8.846 33 HB2 GLU 6 2HB GLU 6 31.935 -7.365 -10.663 34 HB3 GLU 6 1HB GLU 6 32.149 -7.446 -8.922 35 HG2 GLU 6 2HG GLU 6 34.063 -8.409 -9.912 36 HG3 GLU 6 1HG GLU 6 33.112 -9.721 -9.227 37 H GLU 7 H GLU 7 29.817 -6.999 -11.264 38 HA GLU 7 HA GLU 7 28.534 -5.147 -9.611 39 HB2 GLU 7 2HB GLU 7 29.252 -4.945 -12.069 40 HB3 GLU 7 1HB GLU 7 27.732 -5.737 -12.457 41 HG2 GLU 7 2HG GLU 7 27.393 -3.411 -12.699 42 HG3 GLU 7 1HG GLU 7 26.567 -3.901 -11.220 43 H LEU 8 H LEU 8 27.309 -7.953 -11.360 44 HA LEU 8 HA LEU 8 24.586 -7.624 -10.930 45 HG LEU 8 HG LEU 8 24.410 -10.586 -13.008 46 HB2 LEU 8 2HB LEU 8 26.257 -9.389 -12.189 47 HB3 LEU 8 1HB LEU 8 25.631 -10.365 -10.877 48 HD11 LEU 8 1HD1 LEU 8 22.824 -9.502 -10.687 49 HD12 LEU 8 2HD1 LEU 8 23.319 -11.179 -10.925 50 HD13 LEU 8 3HD1 LEU 8 22.156 -10.435 -12.025 51 HD21 LEU 8 1HD2 LEU 8 22.888 -8.803 -13.701 52 HD22 LEU 8 2HD2 LEU 8 24.575 -8.297 -13.787 53 HD23 LEU 8 3HD2 LEU 8 23.558 -7.757 -12.451 54 H LYS 9 H LYS 9 26.982 -9.471 -9.085 55 HA LYS 9 HA LYS 9 25.114 -10.394 -7.141 56 HB2 LYS 9 2HB LYS 9 27.583 -11.173 -7.941 57 HB3 LYS 9 1HB LYS 9 27.990 -10.326 -6.458 58 HG2 LYS 9 2HG LYS 9 26.583 -11.776 -5.170 59 HG3 LYS 9 1HG LYS 9 25.964 -12.543 -6.637 60 HD2 LYS 9 2HD LYS 9 28.311 -13.237 -7.156 61 HD3 LYS 9 1HD LYS 9 28.774 -12.645 -5.561 62 HE2 LYS 9 2HE LYS 9 27.285 -14.229 -4.501 63 HE3 LYS 9 1HE LYS 9 26.698 -14.767 -6.076 64 HZ1 LYS 9 1HZ LYS 9 29.487 -15.043 -5.083 65 HZ2 LYS 9 2HZ LYS 9 28.925 -15.555 -6.598 66 HZ3 LYS 9 3HZ LYS 9 28.348 -16.295 -5.185 67 H ALA 10 H ALA 10 27.301 -7.659 -7.347 68 HA ALA 10 HA ALA 10 27.117 -6.905 -4.609 69 HB1 ALA 10 1HB ALA 10 27.778 -5.206 -7.008 70 HB2 ALA 10 2HB ALA 10 28.933 -6.154 -6.072 71 HB3 ALA 10 3HB ALA 10 28.091 -4.796 -5.323 72 H LYS 11 H LYS 11 25.337 -6.007 -7.534 73 HA LYS 11 HA LYS 11 23.696 -4.099 -6.168 74 HB2 LYS 11 2HB LYS 11 24.231 -4.319 -8.725 75 HB3 LYS 11 1HB LYS 11 22.859 -5.420 -8.727 76 HG2 LYS 11 2HG LYS 11 21.444 -3.652 -7.794 77 HG3 LYS 11 1HG LYS 11 22.821 -2.550 -7.813 78 HD2 LYS 11 2HD LYS 11 22.961 -2.912 -10.291 79 HD3 LYS 11 1HD LYS 11 21.442 -3.807 -10.182 80 HE2 LYS 11 2HE LYS 11 20.863 -1.595 -10.804 81 HE3 LYS 11 1HE LYS 11 20.453 -1.754 -9.098 82 HZ1 LYS 11 1HZ LYS 11 22.929 -0.491 -10.160 83 HZ2 LYS 11 2HZ LYS 11 22.498 -0.611 -8.523 84 HZ3 LYS 11 3HZ LYS 11 21.571 0.343 -9.575 85 H LEU 12 H LEU 12 23.337 -7.488 -7.136 86 HA LEU 12 HA LEU 12 20.694 -7.875 -6.313 87 HG LEU 12 HG LEU 12 21.079 -10.684 -4.922 88 HB2 LEU 12 2HB LEU 12 21.935 -9.549 -7.594 89 HB3 LEU 12 1HB LEU 12 23.003 -9.822 -6.231 90 HD11 LEU 12 1HD1 LEU 12 19.288 -9.484 -6.041 91 HD12 LEU 12 2HD1 LEU 12 18.997 -11.223 -6.090 92 HD13 LEU 12 3HD1 LEU 12 19.588 -10.386 -7.526 93 HD21 LEU 12 1HD2 LEU 12 20.861 -12.802 -6.145 94 HD22 LEU 12 2HD2 LEU 12 22.530 -12.231 -6.101 95 HD23 LEU 12 3HD2 LEU 12 21.571 -12.043 -7.570 96 H LYS 13 H LYS 13 23.719 -8.053 -4.501 97 HA LYS 13 HA LYS 13 22.830 -8.874 -2.018 98 HB2 LYS 13 2HB LYS 13 25.186 -8.426 -2.621 99 HB3 LYS 13 1HB LYS 13 24.854 -6.705 -2.629 100 HG2 LYS 13 2HG LYS 13 25.942 -7.204 -0.590 101 HG3 LYS 13 1HG LYS 13 24.248 -6.893 -0.213 102 HD2 LYS 13 2HD LYS 13 23.818 -9.283 -0.075 103 HD3 LYS 13 1HD LYS 13 25.493 -9.622 -0.523 104 HE2 LYS 13 2HE LYS 13 26.258 -8.466 1.497 105 HE3 LYS 13 1HE LYS 13 24.585 -8.137 1.941 106 HZ1 LYS 13 1HZ LYS 13 25.893 -10.800 1.760 107 HZ2 LYS 13 2HZ LYS 13 24.230 -10.579 1.999 108 HZ3 LYS 13 3HZ LYS 13 25.332 -10.021 3.161 109 H LYS 14 H LYS 14 22.930 -5.582 -3.308 110 HA LYS 14 HA LYS 14 21.733 -4.305 -1.109 111 HB2 LYS 14 2HB LYS 14 23.086 -3.181 -2.870 112 HB3 LYS 14 1HB LYS 14 21.779 -3.457 -4.013 113 HG2 LYS 14 2HG LYS 14 21.711 -1.191 -3.204 114 HG3 LYS 14 1HG LYS 14 20.296 -2.079 -2.634 115 HD2 LYS 14 2HD LYS 14 21.043 -0.873 -0.777 116 HD3 LYS 14 1HD LYS 14 21.624 -2.510 -0.509 117 HE2 LYS 14 2HE LYS 14 23.831 -1.861 -1.345 118 HE3 LYS 14 1HE LYS 14 23.248 -0.221 -1.624 119 HZ1 LYS 14 1HZ LYS 14 24.416 -0.273 0.443 120 HZ2 LYS 14 2HZ LYS 14 23.516 -1.600 0.993 121 HZ3 LYS 14 3HZ LYS 14 22.764 -0.094 0.790 122 H LEU 15 H LEU 15 20.386 -5.308 -4.249 123 HA LEU 15 HA LEU 15 17.785 -4.358 -3.791 124 HG LEU 15 HG LEU 15 17.956 -4.872 -7.423 125 HB2 LEU 15 2HB LEU 15 19.039 -6.232 -5.723 126 HB3 LEU 15 1HB LEU 15 17.297 -6.305 -5.557 127 HD11 LEU 15 1HD1 LEU 15 15.890 -4.387 -6.215 128 HD12 LEU 15 2HD1 LEU 15 16.637 -2.916 -6.844 129 HD13 LEU 15 3HD1 LEU 15 16.778 -3.314 -5.131 130 HD21 LEU 15 1HD2 LEU 15 19.090 -2.748 -7.040 131 HD22 LEU 15 2HD2 LEU 15 20.115 -4.107 -6.577 132 HD23 LEU 15 3HD2 LEU 15 19.296 -3.157 -5.338 133 H ASN 16 H ASN 16 19.246 -7.503 -3.136 134 HA ASN 16 HA ASN 16 16.872 -8.906 -2.580 135 HB2 ASN 16 2HB ASN 16 19.210 -9.877 -2.924 136 HB3 ASN 16 1HB ASN 16 19.529 -9.434 -1.251 137 HD21 ASN 16 1HD2 ASN 16 19.768 -11.481 -0.491 138 HD22 ASN 16 2HD2 ASN 16 18.475 -12.632 -0.415 139 H ALA 17 H ALA 17 19.191 -7.335 -0.381 140 HA ALA 17 HA ALA 17 17.810 -7.879 2.003 141 HB1 ALA 17 1HB ALA 17 20.155 -7.158 1.937 142 HB2 ALA 17 2HB ALA 17 19.190 -6.149 3.013 143 HB3 ALA 17 3HB ALA 17 19.642 -5.552 1.417 144 H GLN 18 H GLN 18 17.666 -5.140 -0.206 145 HA GLN 18 HA GLN 18 15.939 -3.512 1.304 146 HB2 GLN 18 2HB GLN 18 17.252 -2.685 -0.590 147 HB3 GLN 18 1HB GLN 18 16.315 -3.683 -1.692 148 HG2 GLN 18 2HG GLN 18 14.312 -2.404 -1.163 149 HG3 GLN 18 1HG GLN 18 15.235 -1.414 -0.034 150 HE21 GLN 18 1HE2 GLN 18 16.537 -2.545 -3.056 151 HE22 GLN 18 2HE2 GLN 18 16.601 -1.000 -3.836 152 H ALA 19 H ALA 19 15.254 -5.801 -1.338 153 HA ALA 19 HA ALA 19 12.473 -5.423 -1.376 154 HB1 ALA 19 1HB ALA 19 13.698 -6.499 -3.193 155 HB2 ALA 19 2HB ALA 19 12.372 -7.513 -2.627 156 HB3 ALA 19 3HB ALA 19 14.032 -7.885 -2.157 157 H THR 20 H THR 20 14.464 -7.813 0.349 158 HA THR 20 HA THR 20 12.354 -9.267 1.487 159 HB THR 20 HB THR 20 15.141 -8.835 2.581 160 HG1 THR 20 1HG THR 20 15.760 -10.375 1.225 161 HG21 THR 20 1HG2 THR 20 14.790 -10.985 3.729 162 HG22 THR 20 2HG2 THR 20 13.124 -11.017 3.151 163 HG23 THR 20 3HG2 THR 20 13.643 -9.764 4.277 164 H ALA 21 H ALA 21 14.124 -6.433 2.690 165 HA ALA 21 HA ALA 21 13.052 -6.350 5.269 166 HB1 ALA 21 1HB ALA 21 13.932 -4.032 3.548 167 HB2 ALA 21 2HB ALA 21 14.972 -5.015 4.580 168 HB3 ALA 21 3HB ALA 21 13.723 -4.000 5.299 169 H LEU 22 H LEU 22 12.001 -4.548 2.371 170 HA LEU 22 HA LEU 22 9.721 -3.412 3.602 171 HG LEU 22 HG LEU 22 10.398 -1.330 0.631 172 HB2 LEU 22 2HB LEU 22 10.569 -3.797 0.754 173 HB3 LEU 22 1HB LEU 22 8.966 -3.192 1.118 174 HD11 LEU 22 1HD1 LEU 22 10.209 -0.031 2.686 175 HD12 LEU 22 2HD1 LEU 22 9.917 -1.513 3.597 176 HD13 LEU 22 3HD1 LEU 22 8.756 -0.982 2.381 177 HD21 LEU 22 1HD2 LEU 22 12.405 -0.824 1.915 178 HD22 LEU 22 2HD2 LEU 22 12.557 -2.377 1.094 179 HD23 LEU 22 3HD2 LEU 22 12.214 -2.325 2.823 180 H LYS 23 H LYS 23 10.242 -6.367 1.783 181 HA LYS 23 HA LYS 23 7.641 -7.186 1.298 182 HB2 LYS 23 2HB LYS 23 9.817 -8.242 0.527 183 HB3 LYS 23 1HB LYS 23 9.902 -9.014 2.100 184 HG2 LYS 23 2HG LYS 23 7.696 -10.075 1.608 185 HG3 LYS 23 1HG LYS 23 7.828 -9.435 -0.033 186 HD2 LYS 23 2HD LYS 23 9.693 -11.377 1.331 187 HD3 LYS 23 1HD LYS 23 8.630 -11.703 -0.038 188 HE2 LYS 23 2HE LYS 23 9.924 -10.233 -1.447 189 HE3 LYS 23 1HE LYS 23 10.921 -9.741 -0.081 190 HZ1 LYS 23 1HZ LYS 23 12.091 -11.353 -1.394 191 HZ2 LYS 23 2HZ LYS 23 10.807 -12.453 -1.289 192 HZ3 LYS 23 3HZ LYS 23 11.696 -12.054 0.097 193 H MET 24 H MET 24 9.678 -7.911 4.132 194 HA MET 24 HA MET 24 7.584 -9.384 5.421 195 HB2 MET 24 2HB MET 24 9.108 -9.579 7.307 196 HB3 MET 24 1HB MET 24 9.946 -9.938 5.806 197 HG2 MET 24 2HG MET 24 11.040 -7.816 5.829 198 HG3 MET 24 1HG MET 24 10.066 -7.271 7.192 199 HE1 MET 24 1HE MET 24 12.867 -9.737 5.992 200 HE2 MET 24 2HE MET 24 11.672 -10.825 6.697 201 HE3 MET 24 3HE MET 24 13.239 -10.607 7.480 202 H ASP 25 H ASP 25 8.839 -6.091 5.659 203 HA ASP 25 HA ASP 25 7.555 -5.521 8.135 204 HB2 ASP 25 2HB ASP 25 9.519 -4.254 7.301 205 HB3 ASP 25 1HB ASP 25 8.505 -3.552 6.043 206 H LEU 26 H LEU 26 6.724 -4.844 4.750 207 HA LEU 26 HA LEU 26 4.406 -3.336 5.270 208 HG LEU 26 HG LEU 26 2.670 -4.351 2.894 209 HB2 LEU 26 2HB LEU 26 5.533 -3.409 3.088 210 HB3 LEU 26 1HB LEU 26 5.043 -5.079 2.887 211 HD11 LEU 26 1HD1 LEU 26 3.863 -1.582 2.877 212 HD12 LEU 26 2HD1 LEU 26 2.907 -2.298 4.175 213 HD13 LEU 26 3HD1 LEU 26 2.165 -1.974 2.608 214 HD21 LEU 26 1HD2 LEU 26 2.702 -3.388 0.655 215 HD22 LEU 26 2HD2 LEU 26 3.880 -4.693 0.801 216 HD23 LEU 26 3HD2 LEU 26 4.416 -3.013 0.833 217 H HIS 27 H HIS 27 4.940 -6.792 4.992 218 HA HIS 27 HA HIS 27 2.311 -7.707 4.872 219 HD1 HIS 27 1HD HIS 27 4.479 -11.407 6.921 220 HD2 HIS 27 2HD HIS 27 0.979 -9.789 5.356 221 HE1 HIS 27 1HE HIS 27 2.701 -13.153 7.277 222 HE2 HIS 27 2HE HIS 27 0.562 -12.103 6.433 223 HB2 HIS 27 2HB HIS 27 4.243 -9.189 4.601 224 HB3 HIS 27 1HB HIS 27 4.689 -8.946 6.284 225 H ASP 28 H ASP 28 4.324 -7.086 7.735 226 HA ASP 28 HA ASP 28 2.182 -7.599 9.562 227 HB2 ASP 28 2HB ASP 28 4.920 -6.370 9.943 228 HB3 ASP 28 1HB ASP 28 3.791 -6.655 11.264 229 H LEU 29 H LEU 29 3.529 -4.772 8.013 230 HA LEU 29 HA LEU 29 2.365 -2.789 9.631 231 HG LEU 29 HG LEU 29 1.772 -0.656 7.550 232 HB2 LEU 29 2HB LEU 29 4.183 -2.423 7.976 233 HB3 LEU 29 1HB LEU 29 3.013 -2.639 6.690 234 HD11 LEU 29 1HD1 LEU 29 2.926 0.840 9.111 235 HD12 LEU 29 2HD1 LEU 29 4.180 -0.380 9.341 236 HD13 LEU 29 3HD1 LEU 29 2.524 -0.706 9.854 237 HD21 LEU 29 1HD2 LEU 29 4.660 -0.145 6.857 238 HD22 LEU 29 2HD2 LEU 29 3.318 0.982 6.661 239 HD23 LEU 29 3HD2 LEU 29 3.377 -0.493 5.697 240 H ALA 30 H ALA 30 1.180 -4.468 6.752 241 HA ALA 30 HA ALA 30 -1.199 -2.980 6.428 242 HB1 ALA 30 1HB ALA 30 -0.273 -4.415 4.673 243 HB2 ALA 30 2HB ALA 30 -1.950 -4.828 5.033 244 HB3 ALA 30 3HB ALA 30 -0.642 -5.838 5.647 245 H GLU 31 H GLU 31 -0.322 -5.568 8.572 246 HA GLU 31 HA GLU 31 -3.069 -6.069 9.333 247 HB2 GLU 31 2HB GLU 31 -1.211 -7.828 9.272 248 HB3 GLU 31 1HB GLU 31 -0.612 -7.092 10.754 249 HG2 GLU 31 2HG GLU 31 -2.618 -7.632 11.921 250 HG3 GLU 31 1HG GLU 31 -3.410 -8.133 10.428 251 H ASP 32 H ASP 32 -0.441 -4.065 10.276 252 HA ASP 32 HA ASP 32 -1.649 -3.347 12.829 253 HB2 ASP 32 2HB ASP 32 0.837 -3.570 12.590 254 HB3 ASP 32 1HB ASP 32 0.812 -2.194 11.490 255 H LEU 33 H LEU 33 -3.485 -2.825 11.171 256 HA LEU 33 HA LEU 33 -3.379 -0.453 9.665 257 HG LEU 33 HG LEU 33 -4.385 -2.627 8.362 258 HB2 LEU 33 2HB LEU 33 -5.477 -2.344 10.545 259 HB3 LEU 33 1HB LEU 33 -6.017 -0.741 10.068 260 HD11 LEU 33 1HD1 LEU 33 -6.693 -3.350 8.588 261 HD12 LEU 33 2HD1 LEU 33 -6.376 -2.741 6.963 262 HD13 LEU 33 3HD1 LEU 33 -7.254 -1.743 8.124 263 HD21 LEU 33 1HD2 LEU 33 -3.776 -0.344 7.901 264 HD22 LEU 33 2HD2 LEU 33 -5.471 0.129 7.804 265 HD23 LEU 33 3HD2 LEU 33 -4.783 -0.951 6.586 266 HA PRO 34 HA PRO 34 -4.395 3.443 10.800 267 HB2 PRO 34 2HB PRO 34 -6.283 2.468 12.920 268 HB3 PRO 34 1HB PRO 34 -6.263 4.038 12.094 269 HG2 PRO 34 2HG PRO 34 -7.634 1.777 11.182 270 HG3 PRO 34 1HG PRO 34 -7.191 3.175 10.186 271 HD2 PRO 34 2HD PRO 34 -6.232 0.559 9.820 272 HD3 PRO 34 1HD PRO 34 -5.473 2.027 9.162 273 H THR 35 H THR 35 -2.617 1.313 12.408 274 HA THR 35 HA THR 35 -1.724 3.342 14.329 275 HB THR 35 HB THR 35 -0.769 0.482 14.085 276 HG1 THR 35 1HG THR 35 -2.757 0.201 14.887 277 HG21 THR 35 1HG2 THR 35 0.125 0.880 16.344 278 HG22 THR 35 2HG2 THR 35 -0.415 2.557 16.254 279 HG23 THR 35 3HG2 THR 35 0.841 1.972 15.161 280 H GLY 36 H GLY 36 -0.038 0.932 12.315 281 HA2 GLY 36 2HA GLY 36 2.017 2.853 11.629 282 HA3 GLY 36 1HA GLY 36 1.920 1.184 11.083 283 H TRP 37 H TRP 37 -1.015 2.459 10.600 284 HA TRP 37 HA TRP 37 -1.057 2.376 7.847 285 HD1 TRP 37 HD TRP 37 -3.904 3.052 6.297 286 HE1 TRP 37 1HE TRP 37 -5.028 5.230 5.500 287 HE3 TRP 37 3HE TRP 37 -2.952 6.004 10.368 288 HZ2 TRP 37 2HZ TRP 37 -5.456 7.839 6.470 289 HZ3 TRP 37 3HZ TRP 37 -3.759 8.331 10.353 290 HH2 TRP 37 HH TRP 37 -4.985 9.226 8.439 291 HB2 TRP 37 2HB TRP 37 -3.154 2.273 8.799 292 HB3 TRP 37 1HB TRP 37 -2.810 3.551 9.955 293 H ASN 38 H ASN 38 -0.231 5.012 9.969 294 HA ASN 38 HA ASN 38 -0.462 7.199 8.284 295 HB2 ASN 38 2HB ASN 38 -0.011 7.409 10.662 296 HB3 ASN 38 1HB ASN 38 1.560 6.649 10.462 297 HD21 ASN 38 1HD2 ASN 38 -0.312 9.536 9.988 298 HD22 ASN 38 2HD2 ASN 38 1.023 10.592 9.658 299 H ARG 39 H ARG 39 1.856 4.623 8.231 300 HA ARG 39 HA ARG 39 3.560 6.184 6.392 301 HE ARG 39 HE ARG 39 5.813 5.586 9.768 302 HB2 ARG 39 2HB ARG 39 4.432 5.367 8.696 303 HB3 ARG 39 1HB ARG 39 4.511 3.787 7.930 304 HG2 ARG 39 2HG ARG 39 6.063 4.613 6.283 305 HG3 ARG 39 1HG ARG 39 5.912 6.255 6.919 306 HD2 ARG 39 2HD ARG 39 7.090 3.850 8.300 307 HD3 ARG 39 1HD ARG 39 7.935 5.304 7.773 308 HH11 ARG 39 1HH1 ARG 39 9.231 5.665 8.987 309 HH12 ARG 39 2HH1 ARG 39 9.681 6.355 10.519 310 HH21 ARG 39 1HH2 ARG 39 6.399 6.507 11.746 311 HH22 ARG 39 2HH2 ARG 39 8.066 6.889 12.070 312 H ILE 40 H ILE 40 1.235 3.949 6.250 313 HA ILE 40 HA ILE 40 2.328 1.713 4.994 314 HB ILE 40 HB ILE 40 -0.427 2.905 4.863 315 HG12 ILE 40 2HG1 ILE 40 0.722 0.409 6.120 316 HG13 ILE 40 1HG1 ILE 40 0.213 1.868 6.966 317 HG21 ILE 40 1HG2 ILE 40 -1.208 0.902 3.711 318 HG22 ILE 40 2HG2 ILE 40 0.456 0.334 3.556 319 HG23 ILE 40 3HG2 ILE 40 -0.058 1.801 2.721 320 HD11 ILE 40 1HD1 ILE 40 -1.583 -0.016 5.441 321 HD12 ILE 40 2HD1 ILE 40 -2.096 1.448 6.283 322 HD13 ILE 40 3HD1 ILE 40 -1.427 0.095 7.195 323 H MET 41 H MET 41 1.022 4.677 3.483 324 HA MET 41 HA MET 41 1.174 3.745 0.847 325 HB2 MET 41 2HB MET 41 -0.142 5.698 1.401 326 HB3 MET 41 1HB MET 41 1.299 6.577 1.890 327 HG2 MET 41 2HG MET 41 2.082 6.741 -0.320 328 HG3 MET 41 1HG MET 41 0.932 5.539 -0.900 329 HE1 MET 41 1HE MET 41 -1.808 6.335 0.330 330 HE2 MET 41 2HE MET 41 -1.569 5.973 -1.380 331 HE3 MET 41 3HE MET 41 -2.437 7.432 -0.899 332 H GLU 42 H GLU 42 3.575 5.454 2.807 333 HA GLU 42 HA GLU 42 5.471 5.824 0.749 334 HB2 GLU 42 2HB GLU 42 5.495 6.948 3.002 335 HB3 GLU 42 1HB GLU 42 6.065 5.435 3.682 336 HG2 GLU 42 2HG GLU 42 7.995 5.554 2.084 337 HG3 GLU 42 1HG GLU 42 7.473 7.192 1.693 338 H VAL 43 H VAL 43 5.151 3.350 3.258 339 HA VAL 43 HA VAL 43 7.344 1.779 2.510 340 HB VAL 43 HB VAL 43 4.774 0.916 3.849 341 HG11 VAL 43 1HG1 VAL 43 7.438 -0.491 3.708 342 HG12 VAL 43 2HG1 VAL 43 5.945 -1.012 2.923 343 HG13 VAL 43 3HG1 VAL 43 6.059 -0.994 4.684 344 HG21 VAL 43 1HG2 VAL 43 6.076 1.121 5.920 345 HG22 VAL 43 2HG2 VAL 43 5.947 2.661 5.068 346 HG23 VAL 43 3HG2 VAL 43 7.443 1.730 4.988 347 H ALA 44 H ALA 44 3.919 1.495 1.563 348 HA ALA 44 HA ALA 44 4.173 -0.764 -0.069 349 HB1 ALA 44 1HB ALA 44 2.253 1.545 -0.359 350 HB2 ALA 44 2HB ALA 44 2.010 0.109 0.637 351 HB3 ALA 44 3HB ALA 44 2.084 -0.037 -1.118 352 H GLU 45 H GLU 45 4.535 2.669 -0.818 353 HA GLU 45 HA GLU 45 4.963 2.519 -3.564 354 HB2 GLU 45 2HB GLU 45 4.705 4.635 -2.353 355 HB3 GLU 45 1HB GLU 45 6.239 4.371 -1.538 356 HG2 GLU 45 2HG GLU 45 7.301 4.376 -3.836 357 HG3 GLU 45 1HG GLU 45 5.756 4.977 -4.435 358 H LYS 46 H LYS 46 7.398 2.510 -0.966 359 HA LYS 46 HA LYS 46 9.567 2.066 -2.725 360 HB2 LYS 46 2HB LYS 46 9.302 1.819 0.258 361 HB3 LYS 46 1HB LYS 46 10.815 1.505 -0.590 362 HG2 LYS 46 2HG LYS 46 10.682 3.776 -1.565 363 HG3 LYS 46 1HG LYS 46 9.260 4.080 -0.570 364 HD2 LYS 46 2HD LYS 46 11.946 3.292 0.532 365 HD3 LYS 46 1HD LYS 46 11.405 4.958 0.342 366 HE2 LYS 46 2HE LYS 46 9.421 4.371 1.766 367 HE3 LYS 46 1HE LYS 46 10.203 2.825 2.096 368 HZ1 LYS 46 1HZ LYS 46 10.675 4.387 3.851 369 HZ2 LYS 46 2HZ LYS 46 11.283 5.518 2.743 370 HZ3 LYS 46 3HZ LYS 46 12.108 4.057 3.002 371 H THR 47 H THR 47 7.513 -0.130 -0.878 372 HA THR 47 HA THR 47 9.004 -2.481 -1.309 373 HB THR 47 HB THR 47 5.986 -2.254 -1.118 374 HG1 THR 47 1HG THR 47 6.937 -1.333 0.709 375 HG21 THR 47 1HG2 THR 47 6.719 -4.442 -1.905 376 HG22 THR 47 2HG2 THR 47 6.121 -4.557 -0.251 377 HG23 THR 47 3HG2 THR 47 7.857 -4.562 -0.563 378 H TYR 48 H TYR 48 6.386 -0.990 -3.183 379 HA TYR 48 HA TYR 48 6.289 -2.955 -5.201 380 HD1 TYR 48 1HD TYR 48 3.543 -3.112 -5.856 381 HD2 TYR 48 2HD TYR 48 5.561 -0.008 -7.944 382 HE1 TYR 48 1HE TYR 48 2.447 -3.811 -7.941 383 HE2 TYR 48 2HE TYR 48 4.474 -0.702 -10.037 384 HH TYR 48 HH TYR 48 1.858 -2.895 -10.119 385 HB2 TYR 48 2HB TYR 48 4.549 -1.170 -4.676 386 HB3 TYR 48 1HB TYR 48 5.571 -0.045 -5.562 387 H GLU 49 H GLU 49 7.938 0.191 -5.027 388 HA GLU 49 HA GLU 49 9.109 0.118 -7.581 389 HB2 GLU 49 2HB GLU 49 9.792 1.529 -5.002 390 HB3 GLU 49 1HB GLU 49 10.794 1.713 -6.428 391 HG2 GLU 49 2HG GLU 49 7.868 2.192 -6.643 392 HG3 GLU 49 1HG GLU 49 8.893 3.413 -5.892 393 H ALA 50 H ALA 50 10.394 -0.963 -4.428 394 HA ALA 50 HA ALA 50 12.941 -1.691 -5.382 395 HB1 ALA 50 1HB ALA 50 13.170 -2.984 -3.340 396 HB2 ALA 50 2HB ALA 50 11.430 -2.900 -3.066 397 HB3 ALA 50 3HB ALA 50 12.406 -1.433 -2.990 398 H TYR 51 H TYR 51 9.925 -3.521 -5.080 399 HA TYR 51 HA TYR 51 11.095 -5.975 -5.926 400 HD1 TYR 51 1HD TYR 51 10.040 -6.706 -3.260 401 HD2 TYR 51 2HD TYR 51 8.216 -8.133 -6.824 402 HE1 TYR 51 1HE TYR 51 10.271 -9.012 -2.444 403 HE2 TYR 51 2HE TYR 51 8.442 -10.444 -6.019 404 HH TYR 51 HH TYR 51 9.812 -11.721 -4.460 405 HB2 TYR 51 2HB TYR 51 8.690 -5.222 -4.757 406 HB3 TYR 51 1HB TYR 51 8.226 -5.812 -6.351 407 H ARG 52 H ARG 52 9.295 -3.399 -7.567 408 HA ARG 52 HA ARG 52 9.042 -4.767 -10.035 409 HE ARG 52 HE ARG 52 7.324 -0.867 -11.503 410 HB2 ARG 52 2HB ARG 52 8.377 -2.650 -10.968 411 HB3 ARG 52 1HB ARG 52 7.681 -2.788 -9.370 412 HG2 ARG 52 2HG ARG 52 9.551 -1.369 -8.541 413 HG3 ARG 52 1HG ARG 52 10.023 -1.121 -10.224 414 HD2 ARG 52 2HD ARG 52 7.340 -0.441 -9.031 415 HD3 ARG 52 1HD ARG 52 8.632 0.706 -9.368 416 HH11 ARG 52 1HH1 ARG 52 8.573 2.149 -10.210 417 HH12 ARG 52 2HH1 ARG 52 8.089 3.084 -11.598 418 HH21 ARG 52 1HH2 ARG 52 6.696 0.369 -13.330 419 HH22 ARG 52 2HH2 ARG 52 7.033 2.077 -13.366 420 H GLN 53 H GLN 53 11.499 -2.623 -8.714 421 HA GLN 53 HA GLN 53 13.140 -2.546 -11.043 422 HB2 GLN 53 2HB GLN 53 13.448 -0.852 -9.384 423 HB3 GLN 53 1HB GLN 53 13.660 -2.038 -8.107 424 HG2 GLN 53 2HG GLN 53 15.777 -2.744 -9.207 425 HG3 GLN 53 1HG GLN 53 15.578 -1.406 -10.339 426 HE21 GLN 53 1HE2 GLN 53 17.539 -0.509 -9.598 427 HE22 GLN 53 2HE2 GLN 53 17.636 0.315 -8.076 428 H LEU 54 H LEU 54 13.053 -4.609 -8.163 429 HA LEU 54 HA LEU 54 15.323 -6.156 -8.757 430 HG LEU 54 HG LEU 54 14.149 -8.922 -7.833 431 HB2 LEU 54 2HB LEU 54 14.234 -6.178 -6.568 432 HB3 LEU 54 1HB LEU 54 12.807 -6.915 -7.272 433 HD11 LEU 54 1HD1 LEU 54 16.340 -7.863 -7.986 434 HD12 LEU 54 2HD1 LEU 54 16.356 -9.207 -6.845 435 HD13 LEU 54 3HD1 LEU 54 16.315 -7.547 -6.250 436 HD21 LEU 54 1HD2 LEU 54 14.163 -8.098 -4.930 437 HD22 LEU 54 2HD2 LEU 54 14.365 -9.747 -5.520 438 HD23 LEU 54 3HD2 LEU 54 12.846 -8.894 -5.792 439 H ASP 55 H ASP 55 11.906 -6.595 -9.579 440 HA ASP 55 HA ASP 55 12.201 -9.072 -10.904 441 HB2 ASP 55 2HB ASP 55 10.038 -7.977 -10.101 442 HB3 ASP 55 1HB ASP 55 10.115 -6.982 -11.550 443 H GLU 56 H GLU 56 12.133 -5.735 -12.114 444 HA GLU 56 HA GLU 56 12.596 -6.284 -14.813 445 HB2 GLU 56 2HB GLU 56 12.956 -3.951 -13.022 446 HB3 GLU 56 1HB GLU 56 13.822 -3.903 -14.544 447 HG2 GLU 56 2HG GLU 56 10.852 -4.272 -14.209 448 HG3 GLU 56 1HG GLU 56 11.665 -2.785 -14.691 449 H PHE 57 H PHE 57 14.882 -5.773 -12.165 450 HA PHE 57 HA PHE 57 17.250 -5.942 -13.668 451 HD1 PHE 57 1HD PHE 57 19.341 -4.755 -12.599 452 HD2 PHE 57 2HD PHE 57 18.502 -8.109 -10.117 453 HE1 PHE 57 1HE PHE 57 21.750 -5.155 -12.328 454 HE2 PHE 57 2HE PHE 57 20.914 -8.514 -9.846 455 HZ PHE 57 HZ PHE 57 22.537 -7.035 -10.953 456 HB2 PHE 57 2HB PHE 57 17.111 -5.102 -11.342 457 HB3 PHE 57 1HB PHE 57 16.767 -6.734 -10.787 458 H ARG 58 H ARG 58 15.300 -8.386 -12.043 459 HA ARG 58 HA ARG 58 16.990 -10.591 -12.546 460 HE ARG 58 HE ARG 58 14.260 -13.390 -9.945 461 HB2 ARG 58 2HB ARG 58 14.102 -10.254 -11.806 462 HB3 ARG 58 1HB ARG 58 14.735 -11.842 -12.187 463 HG2 ARG 58 2HG ARG 58 16.260 -11.769 -10.372 464 HG3 ARG 58 1HG ARG 58 15.946 -10.053 -10.103 465 HD2 ARG 58 2HD ARG 58 14.813 -11.465 -8.446 466 HD3 ARG 58 1HD ARG 58 13.675 -10.543 -9.426 467 HH11 ARG 58 1HH1 ARG 58 12.023 -10.742 -9.489 468 HH12 ARG 58 2HH1 ARG 58 10.614 -11.692 -9.824 469 HH21 ARG 58 1HH2 ARG 58 12.400 -14.660 -10.406 470 HH22 ARG 58 2HH2 ARG 58 10.821 -13.924 -10.330 471 H LYS 59 H LYS 59 14.215 -9.237 -14.252 472 HA LYS 59 HA LYS 59 14.047 -11.093 -16.345 473 HB2 LYS 59 2HB LYS 59 12.308 -9.443 -15.955 474 HB3 LYS 59 1HB LYS 59 13.431 -8.130 -16.268 475 HG2 LYS 59 2HG LYS 59 13.667 -9.206 -18.606 476 HG3 LYS 59 1HG LYS 59 12.159 -10.027 -18.193 477 HD2 LYS 59 2HD LYS 59 11.057 -7.908 -17.835 478 HD3 LYS 59 1HD LYS 59 12.571 -7.041 -18.096 479 HE2 LYS 59 2HE LYS 59 12.605 -8.146 -20.394 480 HE3 LYS 59 1HE LYS 59 10.916 -8.555 -20.089 481 HZ1 LYS 59 1HZ LYS 59 11.120 -6.486 -21.319 482 HZ2 LYS 59 2HZ LYS 59 12.060 -5.813 -20.078 483 HZ3 LYS 59 3HZ LYS 59 10.435 -6.199 -19.792 484 H SER 60 H SER 60 15.890 -8.081 -16.041 485 HA SER 60 HA SER 60 16.947 -8.018 -18.622 486 HG SER 60 HG SER 60 19.649 -6.476 -17.639 487 HB2 SER 60 2HB SER 60 16.952 -6.115 -17.018 488 HB3 SER 60 1HB SER 60 18.222 -6.927 -16.106 489 H THR 61 H THR 61 18.394 -9.296 -15.637 490 HA THR 61 HA THR 61 20.783 -10.114 -16.909 491 HB THR 61 HB THR 61 20.687 -9.734 -14.481 492 HG1 THR 61 1HG THR 61 21.437 -12.377 -15.255 493 HG21 THR 61 1HG2 THR 61 18.488 -10.727 -14.024 494 HG22 THR 61 2HG2 THR 61 19.739 -11.417 -12.989 495 HG23 THR 61 3HG2 THR 61 19.138 -12.326 -14.378 496 H ALA 62 H ALA 62 17.698 -11.720 -16.382 497 HA ALA 62 HA ALA 62 18.537 -14.323 -17.128 498 HB1 ALA 62 1HB ALA 62 15.798 -13.072 -17.355 499 HB2 ALA 62 2HB ALA 62 16.434 -13.925 -15.949 500 HB3 ALA 62 3HB ALA 62 16.160 -14.796 -17.456 501 H SER 63 H SER 63 17.380 -11.532 -18.923 502 HA SER 63 HA SER 63 17.242 -12.811 -21.459 503 HG SER 63 HG SER 63 15.793 -10.861 -19.841 504 HB2 SER 63 2HB SER 63 17.689 -9.874 -20.865 505 HB3 SER 63 1HB SER 63 17.070 -10.564 -22.365 506 H LEU 64 H LEU 64 19.749 -11.149 -19.664 507 HA LEU 64 HA LEU 64 21.654 -10.986 -21.755 508 HG LEU 64 HG LEU 64 23.884 -9.258 -19.376 509 HB2 LEU 64 2HB LEU 64 21.604 -9.648 -19.606 510 HB3 LEU 64 1HB LEU 64 22.186 -11.077 -18.784 511 HD11 LEU 64 1HD1 LEU 64 25.640 -10.888 -19.884 512 HD12 LEU 64 2HD1 LEU 64 24.409 -12.097 -20.247 513 HD13 LEU 64 3HD1 LEU 64 24.562 -11.458 -18.610 514 HD21 LEU 64 1HD2 LEU 64 23.158 -8.841 -21.655 515 HD22 LEU 64 2HD2 LEU 64 23.551 -10.500 -22.104 516 HD23 LEU 64 3HD2 LEU 64 24.835 -9.387 -21.633 517 H GLU 65 H GLU 65 20.882 -13.419 -19.346 518 HA GLU 65 HA GLU 65 23.110 -15.074 -19.781 519 HB2 GLU 65 2HB GLU 65 20.375 -15.568 -18.646 520 HB3 GLU 65 1HB GLU 65 21.597 -16.814 -18.731 521 HG2 GLU 65 2HG GLU 65 23.080 -15.457 -17.338 522 HG3 GLU 65 1HG GLU 65 21.822 -14.223 -17.232 523 H HIS 66 H HIS 66 20.349 -14.473 -21.614 524 HA HIS 66 HA HIS 66 20.598 -16.950 -23.141 525 HD1 HIS 66 1HD HIS 66 16.464 -15.159 -22.084 526 HD2 HIS 66 2HD HIS 66 18.917 -18.509 -22.428 527 HE1 HIS 66 1HE HIS 66 15.365 -16.959 -20.713 528 HE2 HIS 66 2HE HIS 66 16.924 -18.936 -20.834 529 HB2 HIS 66 2HB HIS 66 18.619 -14.670 -23.292 530 HB3 HIS 66 1HB HIS 66 18.666 -15.973 -24.473 531 H HIS 67 H HIS 67 20.567 -13.451 -23.740 532 HA HIS 67 HA HIS 67 21.963 -12.103 -24.905 533 HD1 HIS 67 1HD HIS 67 25.709 -12.333 -23.801 534 HD2 HIS 67 2HD HIS 67 24.029 -12.065 -27.600 535 HE1 HIS 67 1HE HIS 67 27.113 -10.656 -25.054 536 HE2 HIS 67 2HE HIS 67 25.959 -10.366 -27.274 537 HB2 HIS 67 2HB HIS 67 23.715 -13.737 -24.003 538 HB3 HIS 67 1HB HIS 67 23.683 -14.474 -25.601 539 H HIS 68 H HIS 68 21.299 -15.184 -26.523 540 HA HIS 68 HA HIS 68 21.779 -14.173 -29.141 541 HD1 HIS 68 1HD HIS 68 23.380 -16.189 -30.398 542 HD2 HIS 68 2HD HIS 68 22.160 -17.971 -26.838 543 HE1 HIS 68 1HE HIS 68 25.332 -17.573 -29.624 544 HE2 HIS 68 2HE HIS 68 24.520 -18.761 -27.553 545 HB2 HIS 68 2HB HIS 68 20.268 -16.644 -28.267 546 HB3 HIS 68 1HB HIS 68 20.711 -16.273 -29.927 547 H HIS 69 H HIS 69 20.553 -12.288 -29.307 548 HA HIS 69 HA HIS 69 17.653 -12.591 -29.460 549 HD1 HIS 69 1HD HIS 69 17.667 -8.960 -31.623 550 HD2 HIS 69 2HD HIS 69 15.952 -10.362 -28.107 551 HE1 HIS 69 1HE HIS 69 15.367 -7.953 -31.542 552 HE2 HIS 69 2HE HIS 69 14.461 -8.606 -29.285 553 HB2 HIS 69 2HB HIS 69 18.798 -10.521 -28.504 554 HB3 HIS 69 1HB HIS 69 19.313 -10.153 -30.145 555 H HIS 70 H HIS 70 20.507 -12.493 -31.350 556 HA HIS 70 HA HIS 70 21.007 -13.073 -33.462 557 HD1 HIS 70 1HD HIS 70 21.082 -16.163 -34.114 558 HD2 HIS 70 2HD HIS 70 18.773 -13.893 -36.727 559 HE1 HIS 70 1HE HIS 70 21.686 -16.961 -36.422 560 HE2 HIS 70 2HE HIS 70 20.165 -15.685 -37.974 561 HB2 HIS 70 2HB HIS 70 19.217 -14.854 -32.961 562 HB3 HIS 70 1HB HIS 70 18.154 -13.871 -33.963 563 H HIS 71 H HIS 71 17.650 -11.985 -33.921 564 HA HIS 71 HA HIS 71 18.567 -10.250 -36.072 565 HD1 HIS 71 1HD HIS 71 14.379 -8.909 -35.727 566 HD2 HIS 71 2HD HIS 71 17.181 -9.809 -38.663 567 HE1 HIS 71 1HE HIS 71 13.869 -7.370 -37.647 568 HE2 HIS 71 2HE HIS 71 15.435 -8.086 -39.487 569 HB2 HIS 71 2HB HIS 71 16.591 -11.674 -36.455 570 HB3 HIS 71 1HB HIS 71 15.760 -10.876 -35.123 571 HA MET 1 HA MET 1 -20.185 19.006 1.061 572 H1 MET 1 1H MET 1 -19.848 20.255 3.037 573 H2 MET 1 2H MET 1 -18.731 18.983 3.019 574 H3 MET 1 3H MET 1 -20.099 18.896 4.020 575 HB2 MET 1 2HB MET 1 -19.185 16.894 1.928 576 HB3 MET 1 1HB MET 1 -20.630 16.636 2.894 577 HG2 MET 1 2HG MET 1 -20.747 15.280 0.930 578 HG3 MET 1 1HG MET 1 -21.960 16.552 0.825 579 HE1 MET 1 1HE MET 1 -22.230 16.020 -1.772 580 HE2 MET 1 2HE MET 1 -20.999 14.766 -1.632 581 HE3 MET 1 3HE MET 1 -20.876 15.984 -2.901 582 H SER 2 H SER 2 -22.082 17.606 3.735 583 HA SER 2 HA SER 2 -24.199 19.554 3.245 584 HG SER 2 HG SER 2 -24.073 18.130 1.263 585 HB2 SER 2 2HB SER 2 -24.767 16.586 3.366 586 HB3 SER 2 1HB SER 2 -25.944 17.871 3.132 587 H GLU 3 H GLU 3 -25.122 20.201 5.091 588 HA GLU 3 HA GLU 3 -24.102 19.017 7.556 589 HB2 GLU 3 2HB GLU 3 -25.565 21.578 7.006 590 HB3 GLU 3 1HB GLU 3 -25.218 21.018 8.626 591 HG2 GLU 3 2HG GLU 3 -23.573 22.628 8.037 592 HG3 GLU 3 1HG GLU 3 -22.802 21.045 8.068 593 H GLY 4 H GLY 4 -25.202 17.369 8.180 594 HA2 GLY 4 2HA GLY 4 -27.721 17.453 9.298 595 HA3 GLY 4 1HA GLY 4 -27.959 16.926 7.635 596 H ALA 5 H ALA 5 -28.291 15.532 10.253 597 HA ALA 5 HA ALA 5 -26.244 13.684 10.720 598 HB1 ALA 5 1HB ALA 5 -28.037 14.116 12.317 599 HB2 ALA 5 2HB ALA 5 -27.918 12.397 11.948 600 HB3 ALA 5 3HB ALA 5 -29.200 13.364 11.224 601 H GLU 6 H GLU 6 -28.748 13.691 8.300 602 HA GLU 6 HA GLU 6 -28.798 10.914 7.803 603 HB2 GLU 6 2HB GLU 6 -29.513 13.179 5.933 604 HB3 GLU 6 1HB GLU 6 -29.971 11.494 5.731 605 HG2 GLU 6 2HG GLU 6 -30.812 13.277 8.006 606 HG3 GLU 6 1HG GLU 6 -31.800 12.842 6.613 607 H GLU 7 H GLU 7 -27.229 13.528 5.925 608 HA GLU 7 HA GLU 7 -25.816 11.823 4.195 609 HB2 GLU 7 2HB GLU 7 -26.082 14.554 4.482 610 HB3 GLU 7 1HB GLU 7 -24.402 14.291 4.926 611 HG2 GLU 7 2HG GLU 7 -25.694 13.431 2.343 612 HG3 GLU 7 1HG GLU 7 -24.664 14.841 2.558 613 H LEU 8 H LEU 8 -25.066 13.172 7.348 614 HA LEU 8 HA LEU 8 -22.380 12.422 7.537 615 HG LEU 8 HG LEU 8 -21.518 13.778 9.309 616 HB2 LEU 8 2HB LEU 8 -24.014 13.915 9.014 617 HB3 LEU 8 1HB LEU 8 -24.133 12.440 9.949 618 HD11 LEU 8 1HD1 LEU 8 -23.261 14.056 11.755 619 HD12 LEU 8 2HD1 LEU 8 -22.902 15.319 10.579 620 HD13 LEU 8 3HD1 LEU 8 -21.616 14.676 11.599 621 HD21 LEU 8 1HD2 LEU 8 -22.290 11.728 11.387 622 HD22 LEU 8 2HD2 LEU 8 -20.692 12.445 11.186 623 HD23 LEU 8 3HD2 LEU 8 -21.360 11.413 9.921 624 H LYS 9 H LYS 9 -25.334 10.732 8.550 625 HA LYS 9 HA LYS 9 -23.866 8.561 9.715 626 HB2 LYS 9 2HB LYS 9 -26.402 9.560 10.011 627 HB3 LYS 9 1HB LYS 9 -26.695 8.082 9.100 628 HG2 LYS 9 2HG LYS 9 -26.805 7.783 11.560 629 HG3 LYS 9 1HG LYS 9 -25.581 6.770 10.785 630 HD2 LYS 9 2HD LYS 9 -23.858 8.409 11.384 631 HD3 LYS 9 1HD LYS 9 -25.079 9.400 12.182 632 HE2 LYS 9 2HE LYS 9 -24.448 6.558 12.948 633 HE3 LYS 9 1HE LYS 9 -23.709 7.966 13.707 634 HZ1 LYS 9 1HZ LYS 9 -25.471 7.409 15.084 635 HZ2 LYS 9 2HZ LYS 9 -26.531 7.095 13.796 636 HZ3 LYS 9 3HZ LYS 9 -26.091 8.697 14.163 637 H ALA 10 H ALA 10 -25.725 9.001 6.733 638 HA ALA 10 HA ALA 10 -25.378 6.369 5.778 639 HB1 ALA 10 1HB ALA 10 -25.944 7.289 3.579 640 HB2 ALA 10 2HB ALA 10 -25.761 8.924 4.215 641 HB3 ALA 10 3HB ALA 10 -27.041 7.877 4.829 642 H LYS 11 H LYS 11 -23.385 9.263 5.600 643 HA LYS 11 HA LYS 11 -21.511 8.159 3.757 644 HB2 LYS 11 2HB LYS 11 -22.004 10.672 4.550 645 HB3 LYS 11 1HB LYS 11 -20.655 10.305 5.619 646 HG2 LYS 11 2HG LYS 11 -19.312 9.673 3.657 647 HG3 LYS 11 1HG LYS 11 -20.659 10.136 2.616 648 HD2 LYS 11 2HD LYS 11 -20.495 12.399 3.904 649 HD3 LYS 11 1HD LYS 11 -18.857 11.846 4.269 650 HE2 LYS 11 2HE LYS 11 -18.691 13.132 2.293 651 HE3 LYS 11 1HE LYS 11 -18.576 11.446 1.798 652 HZ1 LYS 11 1HZ LYS 11 -20.838 11.466 1.083 653 HZ2 LYS 11 2HZ LYS 11 -20.068 12.804 0.382 654 HZ3 LYS 11 3HZ LYS 11 -21.099 13.019 1.718 655 H LEU 12 H LEU 12 -21.582 8.561 7.284 656 HA LEU 12 HA LEU 12 -19.070 7.489 7.850 657 HG LEU 12 HG LEU 12 -19.871 5.665 10.282 658 HB2 LEU 12 2HB LEU 12 -20.464 8.547 9.563 659 HB3 LEU 12 1HB LEU 12 -21.619 7.234 9.453 660 HD11 LEU 12 1HD1 LEU 12 -18.265 8.185 10.696 661 HD12 LEU 12 2HD1 LEU 12 -17.899 6.891 9.555 662 HD13 LEU 12 3HD1 LEU 12 -17.844 6.577 11.289 663 HD21 LEU 12 1HD2 LEU 12 -19.927 6.433 12.600 664 HD22 LEU 12 2HD2 LEU 12 -21.491 6.655 11.817 665 HD23 LEU 12 3HD2 LEU 12 -20.425 8.037 12.064 666 H LYS 13 H LYS 13 -22.213 5.868 7.523 667 HA LYS 13 HA LYS 13 -21.336 3.253 7.954 668 HB2 LYS 13 2HB LYS 13 -23.724 4.102 7.787 669 HB3 LYS 13 1HB LYS 13 -23.528 4.059 6.042 670 HG2 LYS 13 2HG LYS 13 -24.660 2.062 6.894 671 HG3 LYS 13 1HG LYS 13 -23.129 1.674 6.107 672 HD2 LYS 13 2HD LYS 13 -23.286 0.390 8.119 673 HD3 LYS 13 1HD LYS 13 -22.058 1.630 8.354 674 HE2 LYS 13 2HE LYS 13 -23.354 1.568 10.340 675 HE3 LYS 13 1HE LYS 13 -23.831 3.021 9.465 676 HZ1 LYS 13 1HZ LYS 13 -25.761 1.767 8.607 677 HZ2 LYS 13 2HZ LYS 13 -25.773 1.931 10.290 678 HZ3 LYS 13 3HZ LYS 13 -25.321 0.454 9.589 679 H LYS 14 H LYS 14 -21.684 5.063 4.910 680 HA LYS 14 HA LYS 14 -20.829 3.094 3.148 681 HB2 LYS 14 2HB LYS 14 -21.956 5.285 2.657 682 HB3 LYS 14 1HB LYS 14 -20.406 6.069 2.909 683 HG2 LYS 14 2HG LYS 14 -19.457 4.814 1.062 684 HG3 LYS 14 1HG LYS 14 -21.004 3.994 0.822 685 HD2 LYS 14 2HD LYS 14 -20.454 6.941 0.544 686 HD3 LYS 14 1HD LYS 14 -20.803 5.796 -0.740 687 HE2 LYS 14 2HE LYS 14 -22.671 6.620 1.462 688 HE3 LYS 14 1HE LYS 14 -22.775 7.106 -0.228 689 HZ1 LYS 14 1HZ LYS 14 -23.073 4.719 -0.787 690 HZ2 LYS 14 2HZ LYS 14 -24.328 5.358 0.160 691 HZ3 LYS 14 3HZ LYS 14 -23.149 4.369 0.872 692 H LEU 15 H LEU 15 -18.961 5.721 4.662 693 HA LEU 15 HA LEU 15 -16.502 5.080 3.440 694 HG LEU 15 HG LEU 15 -16.329 8.600 4.613 695 HB2 LEU 15 2HB LEU 15 -17.349 6.769 5.743 696 HB3 LEU 15 1HB LEU 15 -15.648 6.396 5.578 697 HD11 LEU 15 1HD1 LEU 15 -14.299 7.473 3.872 698 HD12 LEU 15 2HD1 LEU 15 -15.059 8.380 2.562 699 HD13 LEU 15 3HD1 LEU 15 -15.222 6.623 2.630 700 HD21 LEU 15 1HD2 LEU 15 -17.472 8.620 2.446 701 HD22 LEU 15 2HD2 LEU 15 -18.506 7.997 3.731 702 HD23 LEU 15 3HD2 LEU 15 -17.757 6.884 2.587 703 H ASN 16 H ASN 16 -17.876 4.203 6.580 704 HA ASN 16 HA ASN 16 -15.599 2.857 7.582 705 HB2 ASN 16 2HB ASN 16 -17.616 3.641 8.906 706 HB3 ASN 16 1HB ASN 16 -18.479 2.250 8.265 707 HD21 ASN 16 1HD2 ASN 16 -18.789 1.409 10.316 708 HD22 ASN 16 2HD2 ASN 16 -17.511 0.690 11.229 709 H ALA 17 H ALA 17 -18.482 1.723 5.861 710 HA ALA 17 HA ALA 17 -17.829 -1.010 5.795 711 HB1 ALA 17 1HB ALA 17 -19.448 -1.181 3.984 712 HB2 ALA 17 2HB ALA 17 -19.439 0.572 3.793 713 HB3 ALA 17 3HB ALA 17 -20.065 -0.153 5.276 714 H GLN 18 H GLN 18 -17.025 1.656 3.643 715 HA GLN 18 HA GLN 18 -15.754 0.163 1.623 716 HB2 GLN 18 2HB GLN 18 -16.420 2.534 1.389 717 HB3 GLN 18 1HB GLN 18 -15.167 2.988 2.534 718 HG2 GLN 18 2HG GLN 18 -13.475 2.072 0.975 719 HG3 GLN 18 1HG GLN 18 -14.768 1.763 -0.183 720 HE21 GLN 18 1HE2 GLN 18 -14.671 4.553 1.917 721 HE22 GLN 18 2HE2 GLN 18 -14.419 5.718 0.666 722 H ALA 19 H ALA 19 -14.490 1.744 4.531 723 HA ALA 19 HA ALA 19 -11.786 1.125 4.145 724 HB1 ALA 19 1HB ALA 19 -12.590 2.783 5.764 725 HB2 ALA 19 2HB ALA 19 -11.516 1.601 6.513 726 HB3 ALA 19 3HB ALA 19 -13.259 1.484 6.751 727 H THR 20 H THR 20 -14.364 -0.662 5.805 728 HA THR 20 HA THR 20 -12.750 -2.773 6.737 729 HB THR 20 HB THR 20 -15.687 -2.916 6.023 730 HG1 THR 20 1HG THR 20 -16.033 -1.715 7.734 731 HG21 THR 20 1HG2 THR 20 -15.768 -4.616 7.796 732 HG22 THR 20 2HG2 THR 20 -14.024 -4.470 8.016 733 HG23 THR 20 3HG2 THR 20 -14.674 -5.096 6.501 734 H ALA 21 H ALA 21 -14.365 -2.215 3.665 735 HA ALA 21 HA ALA 21 -13.962 -4.783 2.561 736 HB1 ALA 21 1HB ALA 21 -14.154 -2.124 1.146 737 HB2 ALA 21 2HB ALA 21 -15.509 -3.165 1.580 738 HB3 ALA 21 3HB ALA 21 -14.325 -3.713 0.395 739 H LEU 22 H LEU 22 -12.046 -1.798 2.405 740 HA LEU 22 HA LEU 22 -9.928 -2.899 0.886 741 HG LEU 22 HG LEU 22 -9.453 0.717 0.531 742 HB2 LEU 22 2HB LEU 22 -10.272 -0.447 2.548 743 HB3 LEU 22 1HB LEU 22 -8.648 -0.922 2.095 744 HD11 LEU 22 1HD1 LEU 22 -8.047 -1.066 -0.355 745 HD12 LEU 22 2HD1 LEU 22 -9.196 -0.489 -1.563 746 HD13 LEU 22 3HD1 LEU 22 -9.485 -2.017 -0.729 747 HD21 LEU 22 1HD2 LEU 22 -11.770 -1.146 0.045 748 HD22 LEU 22 2HD2 LEU 22 -11.415 0.310 -0.885 749 HD23 LEU 22 3HD2 LEU 22 -11.843 0.434 0.823 750 H LYS 23 H LYS 23 -10.600 -2.765 4.325 751 HA LYS 23 HA LYS 23 -8.151 -3.519 5.382 752 HB2 LYS 23 2HB LYS 23 -10.132 -2.929 6.746 753 HB3 LYS 23 1HB LYS 23 -10.885 -4.450 6.291 754 HG2 LYS 23 2HG LYS 23 -8.840 -5.575 7.326 755 HG3 LYS 23 1HG LYS 23 -8.493 -3.999 8.042 756 HD2 LYS 23 2HD LYS 23 -11.022 -5.604 8.412 757 HD3 LYS 23 1HD LYS 23 -9.724 -5.427 9.591 758 HE2 LYS 23 2HE LYS 23 -11.491 -3.220 8.535 759 HE3 LYS 23 1HE LYS 23 -11.591 -3.965 10.129 760 HZ1 LYS 23 1HZ LYS 23 -10.426 -1.949 10.383 761 HZ2 LYS 23 2HZ LYS 23 -9.417 -2.263 9.060 762 HZ3 LYS 23 3HZ LYS 23 -9.251 -3.171 10.484 763 H MET 24 H MET 24 -10.773 -5.624 4.192 764 HA MET 24 HA MET 24 -9.275 -7.994 4.763 765 HB2 MET 24 2HB MET 24 -11.114 -9.201 3.694 766 HB3 MET 24 1HB MET 24 -11.695 -8.050 4.881 767 HG2 MET 24 2HG MET 24 -12.248 -6.491 3.058 768 HG3 MET 24 1HG MET 24 -11.740 -7.714 1.894 769 HE1 MET 24 1HE MET 24 -14.605 -6.294 1.903 770 HE2 MET 24 2HE MET 24 -15.658 -7.672 1.574 771 HE3 MET 24 3HE MET 24 -14.133 -7.505 0.708 772 H ASP 25 H ASP 25 -9.799 -6.011 1.906 773 HA ASP 25 HA ASP 25 -8.662 -7.813 0.044 774 HB2 ASP 25 2HB ASP 25 -9.314 -4.927 0.078 775 HB3 ASP 25 1HB ASP 25 -8.063 -5.419 -1.057 776 H LEU 26 H LEU 26 -7.273 -5.179 1.978 777 HA LEU 26 HA LEU 26 -4.659 -5.450 0.895 778 HG LEU 26 HG LEU 26 -3.043 -4.541 3.348 779 HB2 LEU 26 2HB LEU 26 -5.468 -3.385 1.964 780 HB3 LEU 26 1HB LEU 26 -5.509 -4.211 3.512 781 HD11 LEU 26 1HD1 LEU 26 -1.792 -3.220 1.710 782 HD12 LEU 26 2HD1 LEU 26 -3.308 -2.748 0.941 783 HD13 LEU 26 3HD1 LEU 26 -2.804 -4.439 0.936 784 HD21 LEU 26 1HD2 LEU 26 -3.960 -2.693 4.630 785 HD22 LEU 26 2HD2 LEU 26 -4.002 -1.691 3.179 786 HD23 LEU 26 3HD2 LEU 26 -2.455 -2.219 3.842 787 H HIS 27 H HIS 27 -6.176 -6.674 3.879 788 HA HIS 27 HA HIS 27 -3.805 -7.853 4.875 789 HD1 HIS 27 1HD HIS 27 -6.725 -10.623 7.074 790 HD2 HIS 27 2HD HIS 27 -3.068 -8.649 7.180 791 HE1 HIS 27 1HE HIS 27 -5.295 -11.923 8.684 792 HE2 HIS 27 2HE HIS 27 -3.191 -10.556 8.927 793 HB2 HIS 27 2HB HIS 27 -5.840 -7.412 6.259 794 HB3 HIS 27 1HB HIS 27 -6.636 -8.754 5.446 795 H ASP 28 H ASP 28 -6.414 -9.088 2.841 796 HA ASP 28 HA ASP 28 -5.514 -11.720 2.535 797 HB2 ASP 28 2HB ASP 28 -7.664 -11.198 1.677 798 HB3 ASP 28 1HB ASP 28 -7.042 -9.870 0.705 799 H LEU 29 H LEU 29 -4.722 -8.782 0.773 800 HA LEU 29 HA LEU 29 -3.048 -9.939 -1.163 801 HG LEU 29 HG LEU 29 -1.167 -7.716 -1.792 802 HB2 LEU 29 2HB LEU 29 -4.113 -7.636 -1.148 803 HB3 LEU 29 1HB LEU 29 -2.831 -7.147 -0.058 804 HD11 LEU 29 1HD1 LEU 29 -1.944 -8.106 -4.085 805 HD12 LEU 29 2HD1 LEU 29 -3.604 -8.204 -3.496 806 HD13 LEU 29 3HD1 LEU 29 -2.417 -9.409 -2.995 807 HD21 LEU 29 1HD2 LEU 29 -1.659 -5.824 -3.258 808 HD22 LEU 29 2HD2 LEU 29 -1.981 -5.433 -1.568 809 HD23 LEU 29 3HD2 LEU 29 -3.318 -5.793 -2.661 810 H ALA 30 H ALA 30 -2.431 -8.685 2.065 811 HA ALA 30 HA ALA 30 0.389 -8.803 1.969 812 HB1 ALA 30 1HB ALA 30 -1.443 -9.001 4.361 813 HB2 ALA 30 2HB ALA 30 -0.805 -7.512 3.662 814 HB3 ALA 30 3HB ALA 30 0.290 -8.673 4.412 815 H GLU 31 H GLU 31 -2.079 -11.157 2.920 816 HA GLU 31 HA GLU 31 -0.229 -13.174 3.709 817 HB2 GLU 31 2HB GLU 31 -3.111 -13.448 2.822 818 HB3 GLU 31 1HB GLU 31 -2.177 -14.637 3.705 819 HG2 GLU 31 2HG GLU 31 -2.877 -11.909 4.747 820 HG3 GLU 31 1HG GLU 31 -3.767 -13.386 5.111 821 H ASP 32 H ASP 32 -1.486 -12.042 0.725 822 HA ASP 32 HA ASP 32 -0.844 -14.522 -0.688 823 HB2 ASP 32 2HB ASP 32 -3.083 -13.200 -0.899 824 HB3 ASP 32 1HB ASP 32 -2.156 -12.145 -1.962 825 H LEU 33 H LEU 33 1.117 -12.512 0.316 826 HA LEU 33 HA LEU 33 2.483 -11.069 -1.530 827 HG LEU 33 HG LEU 33 2.741 -10.464 1.174 828 HB2 LEU 33 2HB LEU 33 3.309 -12.797 0.732 829 HB3 LEU 33 1HB LEU 33 4.572 -12.293 -0.376 830 HD11 LEU 33 1HD1 LEU 33 4.774 -9.823 2.359 831 HD12 LEU 33 2HD1 LEU 33 5.695 -11.008 1.433 832 HD13 LEU 33 3HD1 LEU 33 4.443 -11.544 2.553 833 HD21 LEU 33 1HD2 LEU 33 3.275 -9.527 -1.007 834 HD22 LEU 33 2HD2 LEU 33 4.990 -9.842 -0.743 835 HD23 LEU 33 3HD2 LEU 33 4.147 -8.660 0.260 836 HA PRO 34 HA PRO 34 4.690 -11.810 -4.882 837 HB2 PRO 34 2HB PRO 34 5.421 -14.606 -4.053 838 HB3 PRO 34 1HB PRO 34 6.238 -13.555 -5.225 839 HG2 PRO 34 2HG PRO 34 6.822 -13.639 -2.495 840 HG3 PRO 34 1HG PRO 34 7.232 -12.305 -3.586 841 HD2 PRO 34 2HD PRO 34 5.468 -12.137 -1.392 842 HD3 PRO 34 1HD PRO 34 5.559 -10.967 -2.734 843 H THR 35 H THR 35 3.768 -12.138 -6.713 844 HA THR 35 HA THR 35 2.217 -12.841 -8.270 845 HB THR 35 HB THR 35 0.981 -14.456 -6.032 846 HG1 THR 35 1HG THR 35 2.870 -14.935 -7.934 847 HG21 THR 35 1HG2 THR 35 0.114 -14.198 -8.918 848 HG22 THR 35 2HG2 THR 35 -0.786 -13.650 -7.503 849 HG23 THR 35 3HG2 THR 35 -0.519 -15.374 -7.764 850 H GLY 36 H GLY 36 1.072 -12.069 -5.001 851 HA2 GLY 36 2HA GLY 36 -0.965 -10.307 -6.096 852 HA3 GLY 36 1HA GLY 36 -0.662 -10.622 -4.394 853 H TRP 37 H TRP 37 2.299 -10.013 -5.603 854 HA TRP 37 HA TRP 37 2.494 -7.573 -4.204 855 HD1 TRP 37 HD TRP 37 4.095 -10.858 -6.676 856 HE1 TRP 37 1HE TRP 37 5.267 -10.782 -8.973 857 HE3 TRP 37 3HE TRP 37 5.729 -6.011 -6.589 858 HZ2 TRP 37 2HZ TRP 37 6.698 -8.910 -10.528 859 HZ3 TRP 37 3HZ TRP 37 6.996 -5.158 -8.517 860 HH2 TRP 37 HH TRP 37 7.469 -6.580 -10.444 861 HB2 TRP 37 2HB TRP 37 4.805 -7.535 -4.849 862 HB3 TRP 37 1HB TRP 37 4.364 -9.200 -4.500 863 H ASN 38 H ASN 38 1.782 -8.285 -7.506 864 HA ASN 38 HA ASN 38 2.529 -5.765 -8.612 865 HB2 ASN 38 2HB ASN 38 2.285 -7.811 -9.971 866 HB3 ASN 38 1HB ASN 38 0.561 -7.835 -9.623 867 HD21 ASN 38 1HD2 ASN 38 3.097 -6.353 -11.453 868 HD22 ASN 38 2HD2 ASN 38 2.076 -5.424 -12.498 869 H ARG 39 H ARG 39 -0.045 -6.821 -6.687 870 HA ARG 39 HA ARG 39 -1.941 -4.788 -7.634 871 HE ARG 39 HE ARG 39 -6.470 -6.288 -7.787 872 HB2 ARG 39 2HB ARG 39 -2.472 -7.289 -7.216 873 HB3 ARG 39 1HB ARG 39 -2.415 -6.876 -5.511 874 HG2 ARG 39 2HG ARG 39 -4.686 -6.869 -6.220 875 HG3 ARG 39 1HG ARG 39 -4.200 -5.198 -5.926 876 HD2 ARG 39 2HD ARG 39 -3.988 -4.760 -8.247 877 HD3 ARG 39 1HD ARG 39 -4.125 -6.472 -8.648 878 HH11 ARG 39 1HH1 ARG 39 -4.763 -3.503 -9.042 879 HH12 ARG 39 2HH1 ARG 39 -6.204 -2.665 -9.517 880 HH21 ARG 39 1HH2 ARG 39 -8.375 -5.220 -8.464 881 HH22 ARG 39 2HH2 ARG 39 -8.259 -3.649 -9.209 882 H ILE 40 H ILE 40 0.512 -5.024 -5.439 883 HA ILE 40 HA ILE 40 -0.595 -4.289 -2.983 884 HB ILE 40 HB ILE 40 2.184 -3.897 -4.076 885 HG12 ILE 40 2HG1 ILE 40 0.992 -5.821 -2.062 886 HG13 ILE 40 1HG1 ILE 40 1.500 -6.211 -3.705 887 HG21 ILE 40 1HG2 ILE 40 2.907 -3.375 -1.795 888 HG22 ILE 40 2HG2 ILE 40 1.222 -3.376 -1.267 889 HG23 ILE 40 3HG2 ILE 40 1.786 -2.161 -2.415 890 HD11 ILE 40 1HD1 ILE 40 3.126 -6.952 -2.049 891 HD12 ILE 40 2HD1 ILE 40 3.304 -5.294 -1.474 892 HD13 ILE 40 3HD1 ILE 40 3.806 -5.718 -3.110 893 H MET 41 H MET 41 0.832 -2.170 -5.484 894 HA MET 41 HA MET 41 0.770 0.138 -3.884 895 HB2 MET 41 2HB MET 41 2.203 0.056 -5.817 896 HB3 MET 41 1HB MET 41 0.824 -0.140 -6.888 897 HG2 MET 41 2HG MET 41 0.085 2.075 -6.486 898 HG3 MET 41 1HG MET 41 1.238 2.289 -5.173 899 HE1 MET 41 1HE MET 41 4.640 2.648 -6.979 900 HE2 MET 41 2HE MET 41 3.958 1.257 -6.134 901 HE3 MET 41 3HE MET 41 3.755 2.878 -5.471 902 H GLU 42 H GLU 42 -1.576 -1.089 -6.255 903 HA GLU 42 HA GLU 42 -3.234 1.213 -6.156 904 HB2 GLU 42 2HB GLU 42 -3.181 -0.701 -7.907 905 HB3 GLU 42 1HB GLU 42 -4.276 -1.522 -6.804 906 HG2 GLU 42 2HG GLU 42 -5.882 0.252 -6.964 907 HG3 GLU 42 1HG GLU 42 -4.777 1.220 -7.938 908 H VAL 43 H VAL 43 -3.471 -1.955 -4.578 909 HA VAL 43 HA VAL 43 -5.864 -1.417 -3.190 910 HB VAL 43 HB VAL 43 -3.683 -3.389 -2.477 911 HG11 VAL 43 1HG1 VAL 43 -5.090 -2.927 -0.553 912 HG12 VAL 43 2HG1 VAL 43 -5.441 -4.533 -1.196 913 HG13 VAL 43 3HG1 VAL 43 -6.536 -3.191 -1.527 914 HG21 VAL 43 1HG2 VAL 43 -5.183 -5.020 -3.548 915 HG22 VAL 43 2HG2 VAL 43 -4.624 -3.784 -4.678 916 HG23 VAL 43 3HG2 VAL 43 -6.255 -3.700 -4.016 917 H ALA 44 H ALA 44 -2.466 -1.140 -2.157 918 HA ALA 44 HA ALA 44 -3.014 -0.354 0.494 919 HB1 ALA 44 1HB ALA 44 -0.616 0.336 -1.202 920 HB2 ALA 44 2HB ALA 44 -0.823 -1.146 -0.268 921 HB3 ALA 44 3HB ALA 44 -0.705 0.409 0.557 922 H GLU 45 H GLU 45 -2.615 1.499 -2.489 923 HA GLU 45 HA GLU 45 -2.706 4.080 -1.435 924 HB2 GLU 45 2HB GLU 45 -2.161 3.667 -3.753 925 HB3 GLU 45 1HB GLU 45 -3.757 2.999 -4.052 926 HG2 GLU 45 2HG GLU 45 -4.719 5.222 -3.514 927 HG3 GLU 45 1HG GLU 45 -3.075 5.855 -3.411 928 H LYS 46 H LYS 46 -5.387 2.113 -2.712 929 HA LYS 46 HA LYS 46 -7.418 3.938 -2.026 930 HB2 LYS 46 2HB LYS 46 -7.309 1.117 -2.912 931 HB3 LYS 46 1HB LYS 46 -8.773 1.602 -2.067 932 HG2 LYS 46 2HG LYS 46 -9.081 1.842 -4.439 933 HG3 LYS 46 1HG LYS 46 -9.072 3.434 -3.684 934 HD2 LYS 46 2HD LYS 46 -6.655 3.626 -4.337 935 HD3 LYS 46 1HD LYS 46 -6.850 2.132 -5.258 936 HE2 LYS 46 2HE LYS 46 -8.621 3.188 -6.583 937 HE3 LYS 46 1HE LYS 46 -8.416 4.678 -5.668 938 HZ1 LYS 46 1HZ LYS 46 -6.585 3.450 -7.630 939 HZ2 LYS 46 2HZ LYS 46 -5.998 4.536 -6.472 940 HZ3 LYS 46 3HZ LYS 46 -7.189 5.034 -7.576 941 H THR 47 H THR 47 -5.994 1.251 -0.240 942 HA THR 47 HA THR 47 -7.834 1.245 1.899 943 HB THR 47 HB THR 47 -4.898 0.503 2.016 944 HG1 THR 47 1HG THR 47 -5.946 -0.702 0.401 945 HG21 THR 47 1HG2 THR 47 -5.596 -0.968 3.857 946 HG22 THR 47 2HG2 THR 47 -7.242 -0.349 3.728 947 HG23 THR 47 3HG2 THR 47 -5.933 0.725 4.221 948 H TYR 48 H TYR 48 -4.688 2.877 1.495 949 HA TYR 48 HA TYR 48 -4.687 4.217 3.961 950 HD1 TYR 48 1HD TYR 48 -1.994 4.980 4.721 951 HD2 TYR 48 2HD TYR 48 -3.516 7.477 1.634 952 HE1 TYR 48 1HE TYR 48 -1.110 6.956 5.887 953 HE2 TYR 48 2HE TYR 48 -2.641 9.458 2.793 954 HH TYR 48 HH TYR 48 -0.467 9.246 5.426 955 HB2 TYR 48 2HB TYR 48 -2.687 4.059 2.529 956 HB3 TYR 48 1HB TYR 48 -3.454 5.104 1.339 957 H GLU 49 H GLU 49 -5.859 5.220 0.772 958 HA GLU 49 HA GLU 49 -6.724 7.786 1.415 959 HB2 GLU 49 2HB GLU 49 -7.266 5.821 -0.712 960 HB3 GLU 49 1HB GLU 49 -8.513 7.038 -0.479 961 HG2 GLU 49 2HG GLU 49 -5.622 7.757 -0.794 962 HG3 GLU 49 1HG GLU 49 -6.696 7.538 -2.176 963 H ALA 50 H ALA 50 -8.566 4.732 1.499 964 HA ALA 50 HA ALA 50 -11.026 5.868 2.241 965 HB1 ALA 50 1HB ALA 50 -10.838 3.607 1.356 966 HB2 ALA 50 2HB ALA 50 -11.675 3.601 2.908 967 HB3 ALA 50 3HB ALA 50 -9.989 3.091 2.811 968 H TYR 51 H TYR 51 -8.420 4.501 4.256 969 HA TYR 51 HA TYR 51 -9.829 4.985 6.679 970 HD1 TYR 51 2HD TYR 51 -9.438 3.470 8.764 971 HD2 TYR 51 1HD TYR 51 -7.409 1.966 5.341 972 HE1 TYR 51 2HE TYR 51 -10.328 1.228 9.233 973 HE2 TYR 51 1HE TYR 51 -8.296 -0.284 5.800 974 HH TYR 51 HH TYR 51 -10.834 -0.858 7.930 975 HB2 TYR 51 2HB TYR 51 -7.029 4.174 6.016 976 HB3 TYR 51 1HB TYR 51 -7.434 4.663 7.657 977 H ARG 52 H ARG 52 -7.505 6.852 4.791 978 HA ARG 52 HA ARG 52 -7.145 8.889 6.733 979 HE ARG 52 HE ARG 52 -3.644 10.254 4.752 980 HB2 ARG 52 2HB ARG 52 -5.577 8.834 4.943 981 HB3 ARG 52 1HB ARG 52 -6.850 8.891 3.730 982 HG2 ARG 52 2HG ARG 52 -7.347 11.161 4.235 983 HG3 ARG 52 1HG ARG 52 -6.314 11.129 5.663 984 HD2 ARG 52 2HD ARG 52 -5.199 10.604 2.933 985 HD3 ARG 52 1HD ARG 52 -5.433 12.251 3.517 986 HH11 ARG 52 1HH1 ARG 52 -4.603 13.561 4.136 987 HH12 ARG 52 2HH1 ARG 52 -3.214 14.249 4.926 988 HH21 ARG 52 1HH2 ARG 52 -1.781 11.144 5.757 989 HH22 ARG 52 2HH2 ARG 52 -1.598 12.874 5.836 990 H GLN 53 H GLN 53 -9.375 8.536 4.003 991 HA GLN 53 HA GLN 53 -10.777 10.944 4.409 992 HB2 GLN 53 2HB GLN 53 -11.423 8.355 3.038 993 HB3 GLN 53 1HB GLN 53 -12.648 9.605 3.186 994 HG2 GLN 53 2HG GLN 53 -11.264 11.168 1.986 995 HG3 GLN 53 1HG GLN 53 -9.941 10.004 1.937 996 HE21 GLN 53 1HE2 GLN 53 -10.034 8.294 0.531 997 HE22 GLN 53 2HE2 GLN 53 -11.167 8.215 -0.774 998 H LEU 54 H LEU 54 -11.155 7.740 5.829 999 HA LEU 54 HA LEU 54 -13.572 8.261 7.206 1000 HG LEU 54 HG LEU 54 -14.420 6.172 8.158 1001 HB2 LEU 54 2HB LEU 54 -12.287 6.028 6.804 1002 HB3 LEU 54 1HB LEU 54 -11.415 6.451 8.261 1003 HD11 LEU 54 1HD1 LEU 54 -14.101 3.976 9.175 1004 HD12 LEU 54 2HD1 LEU 54 -12.355 4.138 8.983 1005 HD13 LEU 54 3HD1 LEU 54 -13.395 4.051 7.561 1006 HD21 LEU 54 1HD2 LEU 54 -14.237 5.974 10.577 1007 HD22 LEU 54 2HD2 LEU 54 -13.559 7.504 10.024 1008 HD23 LEU 54 3HD2 LEU 54 -12.487 6.179 10.476 1009 H ASP 55 H ASP 55 -10.156 8.567 8.120 1010 HA ASP 55 HA ASP 55 -10.566 9.601 10.709 1011 HB2 ASP 55 2HB ASP 55 -8.392 8.726 9.951 1012 HB3 ASP 55 1HB ASP 55 -8.246 10.064 8.817 1013 H GLU 56 H GLU 56 -10.157 11.172 7.570 1014 HA GLU 56 HA GLU 56 -10.230 13.836 8.446 1015 HB2 GLU 56 2HB GLU 56 -10.981 12.558 5.820 1016 HB3 GLU 56 1HB GLU 56 -10.978 14.296 6.061 1017 HG2 GLU 56 2HG GLU 56 -8.593 12.493 6.391 1018 HG3 GLU 56 1HG GLU 56 -8.940 13.483 4.974 1019 H PHE 57 H PHE 57 -12.835 11.684 7.364 1020 HA PHE 57 HA PHE 57 -14.913 13.573 7.617 1021 HD1 PHE 57 2HD PHE 57 -16.927 13.339 6.237 1022 HD2 PHE 57 1HD PHE 57 -17.120 9.974 8.838 1023 HE1 PHE 57 2HE PHE 57 -19.368 13.597 6.383 1024 HE2 PHE 57 1HE PHE 57 -19.564 10.226 8.987 1025 HZ PHE 57 HZ PHE 57 -20.691 12.040 7.757 1026 HB2 PHE 57 2HB PHE 57 -15.102 11.407 6.394 1027 HB3 PHE 57 1HB PHE 57 -15.094 10.569 7.941 1028 H ARG 58 H ARG 58 -13.547 11.215 9.856 1029 HA ARG 58 HA ARG 58 -15.263 11.725 12.037 1030 HE ARG 58 HE ARG 58 -11.200 11.143 15.560 1031 HB2 ARG 58 2HB ARG 58 -13.980 9.776 12.233 1032 HB3 ARG 58 1HB ARG 58 -12.495 10.589 11.760 1033 HG2 ARG 58 2HG ARG 58 -12.526 11.808 13.911 1034 HG3 ARG 58 1HG ARG 58 -13.945 10.871 14.382 1035 HD2 ARG 58 2HD ARG 58 -12.746 8.901 14.569 1036 HD3 ARG 58 1HD ARG 58 -11.454 9.463 13.505 1037 HH11 ARG 58 1HH1 ARG 58 -11.638 7.668 15.564 1038 HH12 ARG 58 2HH1 ARG 58 -10.680 7.420 16.982 1039 HH21 ARG 58 1HH2 ARG 58 -9.946 10.837 17.405 1040 HH22 ARG 58 2HH2 ARG 58 -9.699 9.237 18.047 1041 H LYS 59 H LYS 59 -12.110 13.029 11.135 1042 HA LYS 59 HA LYS 59 -11.638 14.722 13.277 1043 HB2 LYS 59 2HB LYS 59 -10.063 14.151 11.413 1044 HB3 LYS 59 1HB LYS 59 -10.963 15.246 10.377 1045 HG2 LYS 59 2HG LYS 59 -8.978 16.328 11.163 1046 HG3 LYS 59 1HG LYS 59 -10.388 17.101 11.887 1047 HD2 LYS 59 2HD LYS 59 -10.002 16.082 13.976 1048 HD3 LYS 59 1HD LYS 59 -8.853 14.931 13.287 1049 HE2 LYS 59 2HE LYS 59 -7.697 16.664 14.537 1050 HE3 LYS 59 1HE LYS 59 -7.300 16.753 12.823 1051 HZ1 LYS 59 1HZ LYS 59 -7.688 18.941 13.718 1052 HZ2 LYS 59 2HZ LYS 59 -9.227 18.495 14.267 1053 HZ3 LYS 59 3HZ LYS 59 -8.909 18.572 12.601 1054 H SER 60 H SER 60 -13.372 15.339 10.262 1055 HA SER 60 HA SER 60 -13.936 18.047 10.780 1056 HG SER 60 HG SER 60 -13.357 16.148 8.282 1057 HB2 SER 60 2HB SER 60 -15.431 16.107 9.006 1058 HB3 SER 60 1HB SER 60 -15.512 17.867 8.919 1059 H THR 61 H THR 61 -15.915 15.127 11.226 1060 HA THR 61 HA THR 61 -18.166 16.620 12.130 1061 HB THR 61 HB THR 61 -18.372 14.378 11.052 1062 HG1 THR 61 1HG THR 61 -19.528 14.735 13.637 1063 HG21 THR 61 1HG2 THR 61 -18.081 12.366 12.430 1064 HG22 THR 61 2HG2 THR 61 -17.392 13.354 13.718 1065 HG23 THR 61 3HG2 THR 61 -16.552 13.208 12.175 1066 H ALA 62 H ALA 62 -15.504 14.969 13.788 1067 HA ALA 62 HA ALA 62 -16.679 15.080 16.373 1068 HB1 ALA 62 1HB ALA 62 -14.431 14.575 17.204 1069 HB2 ALA 62 2HB ALA 62 -13.774 14.869 15.594 1070 HB3 ALA 62 3HB ALA 62 -14.883 13.525 15.863 1071 H SER 63 H SER 63 -14.864 17.349 14.458 1072 HA SER 63 HA SER 63 -14.270 19.083 16.686 1073 HG SER 63 HG SER 63 -12.601 17.972 14.096 1074 HB2 SER 63 2HB SER 63 -13.976 19.589 13.715 1075 HB3 SER 63 1HB SER 63 -13.257 20.539 15.017 1076 H LEU 64 H LEU 64 -16.979 18.490 14.839 1077 HA LEU 64 HA LEU 64 -18.050 21.176 15.390 1078 HG LEU 64 HG LEU 64 -18.772 21.330 11.794 1079 HB2 LEU 64 2HB LEU 64 -18.522 19.274 13.146 1080 HB3 LEU 64 1HB LEU 64 -19.855 20.282 13.659 1081 HD11 LEU 64 1HD1 LEU 64 -19.597 22.818 13.531 1082 HD12 LEU 64 2HD1 LEU 64 -18.162 23.491 12.756 1083 HD13 LEU 64 3HD1 LEU 64 -18.037 22.746 14.351 1084 HD21 LEU 64 1HD2 LEU 64 -16.588 20.249 11.971 1085 HD22 LEU 64 2HD2 LEU 64 -16.218 21.225 13.393 1086 HD23 LEU 64 3HD2 LEU 64 -16.432 21.999 11.822 1087 H GLU 65 H GLU 65 -18.383 17.791 15.963 1088 HA GLU 65 HA GLU 65 -21.076 18.027 17.022 1089 HB2 GLU 65 2HB GLU 65 -19.839 15.981 15.839 1090 HB3 GLU 65 1HB GLU 65 -19.441 15.593 17.503 1091 HG2 GLU 65 2HG GLU 65 -21.826 15.639 18.081 1092 HG3 GLU 65 1HG GLU 65 -22.217 15.987 16.399 1093 H HIS 66 H HIS 66 -18.209 18.963 18.106 1094 HA HIS 66 HA HIS 66 -17.600 19.841 20.130 1095 HD1 HIS 66 1HD HIS 66 -20.163 18.409 23.551 1096 HD2 HIS 66 2HD HIS 66 -18.106 21.792 22.282 1097 HE1 HIS 66 1HE HIS 66 -19.499 19.622 25.650 1098 HE2 HIS 66 2HE HIS 66 -18.045 21.519 24.857 1099 HB2 HIS 66 2HB HIS 66 -19.992 20.274 20.513 1100 HB3 HIS 66 1HB HIS 66 -20.206 18.636 21.106 1101 H HIS 67 H HIS 67 -17.026 17.102 19.135 1102 HA HIS 67 HA HIS 67 -15.908 15.226 19.736 1103 HD1 HIS 67 1HD HIS 67 -12.559 15.064 21.571 1104 HD2 HIS 67 2HD HIS 67 -14.414 18.345 19.809 1105 HE1 HIS 67 1HE HIS 67 -10.758 16.250 20.274 1106 HE2 HIS 67 2HE HIS 67 -11.858 18.330 19.376 1107 HB2 HIS 67 2HB HIS 67 -15.509 16.829 22.251 1108 HB3 HIS 67 1HB HIS 67 -14.942 15.167 22.141 1109 H HIS 68 H HIS 68 -16.042 13.266 21.131 1110 HA HIS 68 HA HIS 68 -17.306 11.560 21.917 1111 HD1 HIS 68 1HD HIS 68 -18.662 10.105 23.989 1112 HD2 HIS 68 2HD HIS 68 -21.344 13.269 23.663 1113 HE1 HIS 68 1HE HIS 68 -20.906 9.157 24.594 1114 HE2 HIS 68 2HE HIS 68 -22.524 11.074 24.349 1115 HB2 HIS 68 2HB HIS 68 -17.638 12.686 23.981 1116 HB3 HIS 68 1HB HIS 68 -18.738 13.853 23.261 1117 H HIS 69 H HIS 69 -18.130 10.632 20.152 1118 HA HIS 69 HA HIS 69 -20.126 11.893 18.530 1119 HD1 HIS 69 1HD HIS 69 -21.197 8.273 16.618 1120 HD2 HIS 69 2HD HIS 69 -19.344 11.917 15.819 1121 HE1 HIS 69 1HE HIS 69 -22.021 8.980 14.349 1122 HE2 HIS 69 2HE HIS 69 -21.070 11.291 14.010 1123 HB2 HIS 69 2HB HIS 69 -18.330 10.070 17.895 1124 HB3 HIS 69 1HB HIS 69 -19.583 8.944 18.410 1125 H HIS 70 H HIS 70 -22.246 11.878 18.819 1126 HA HIS 70 HA HIS 70 -23.521 11.037 21.112 1127 HD1 HIS 70 1HD HIS 70 -23.062 13.701 18.645 1128 HD2 HIS 70 2HD HIS 70 -26.406 13.330 21.102 1129 HE1 HIS 70 1HE HIS 70 -23.519 16.012 19.535 1130 HE2 HIS 70 2HE HIS 70 -25.527 15.767 21.040 1131 HB2 HIS 70 2HB HIS 70 -24.616 11.459 18.333 1132 HB3 HIS 70 1HB HIS 70 -25.654 11.117 19.713 1133 H HIS 71 H HIS 71 -23.669 9.392 17.979 1134 HA HIS 71 HA HIS 71 -23.222 6.847 19.173 1135 HD1 HIS 71 1HD HIS 71 -23.658 4.588 19.068 1136 HD2 HIS 71 2HD HIS 71 -27.330 5.168 17.200 1137 HE1 HIS 71 1HE HIS 71 -24.357 2.323 18.232 1138 HE2 HIS 71 2HE HIS 71 -26.469 2.741 16.925 1139 HB2 HIS 71 2HB HIS 71 -25.610 6.959 19.649 1140 HB3 HIS 71 1HB HIS 71 -25.952 7.403 17.979 Start of MODEL 7 1 HA MET 1 HA MET 1 33.344 -2.528 -22.471 2 H1 MET 1 1H MET 1 34.855 -3.874 -21.099 3 H2 MET 1 2H MET 1 33.991 -4.784 -22.237 4 H3 MET 1 3H MET 1 33.534 -4.816 -20.606 5 HB2 MET 1 2HB MET 1 31.223 -4.063 -20.955 6 HB3 MET 1 1HB MET 1 30.936 -2.703 -22.032 7 HG2 MET 1 2HG MET 1 31.702 -3.982 -23.923 8 HG3 MET 1 1HG MET 1 32.143 -5.329 -22.874 9 HE1 MET 1 1HE MET 1 30.748 -7.086 -24.271 10 HE2 MET 1 2HE MET 1 30.384 -5.797 -25.418 11 HE3 MET 1 3HE MET 1 29.086 -6.812 -24.789 12 H SER 2 H SER 2 31.882 -0.785 -21.357 13 HA SER 2 HA SER 2 33.408 0.099 -19.091 14 HG SER 2 HG SER 2 32.664 1.855 -21.863 15 HB2 SER 2 2HB SER 2 31.088 1.305 -20.593 16 HB3 SER 2 1HB SER 2 31.908 2.105 -19.257 17 H GLU 3 H GLU 3 30.778 -1.821 -19.399 18 HA GLU 3 HA GLU 3 30.226 -1.647 -16.552 19 HB2 GLU 3 2HB GLU 3 28.502 -0.245 -17.612 20 HB3 GLU 3 1HB GLU 3 28.051 -1.584 -18.655 21 HG2 GLU 3 2HG GLU 3 27.236 -2.842 -16.786 22 HG3 GLU 3 1HG GLU 3 27.849 -1.637 -15.653 23 H GLY 4 H GLY 4 29.989 -3.651 -15.663 24 HA2 GLY 4 2HA GLY 4 29.511 -5.926 -17.444 25 HA3 GLY 4 1HA GLY 4 31.041 -5.871 -16.583 26 H ALA 5 H ALA 5 30.229 -7.955 -15.812 27 HA ALA 5 HA ALA 5 27.890 -8.147 -14.227 28 HB1 ALA 5 1HB ALA 5 30.237 -10.023 -14.353 29 HB2 ALA 5 2HB ALA 5 28.844 -10.048 -15.433 30 HB3 ALA 5 3HB ALA 5 28.635 -10.389 -13.715 31 H GLU 6 H GLU 6 31.113 -7.130 -13.445 32 HA GLU 6 HA GLU 6 31.172 -7.867 -10.735 33 HB2 GLU 6 2HB GLU 6 32.499 -5.597 -12.200 34 HB3 GLU 6 1HB GLU 6 32.788 -5.925 -10.495 35 HG2 GLU 6 2HG GLU 6 33.439 -8.247 -11.179 36 HG3 GLU 6 1HG GLU 6 33.411 -7.679 -12.845 37 H GLU 7 H GLU 7 30.240 -4.781 -12.181 38 HA GLU 7 HA GLU 7 29.213 -3.665 -9.771 39 HB2 GLU 7 2HB GLU 7 29.910 -2.395 -11.838 40 HB3 GLU 7 1HB GLU 7 28.423 -2.935 -12.591 41 HG2 GLU 7 2HG GLU 7 28.212 -0.672 -11.726 42 HG3 GLU 7 1HG GLU 7 27.112 -1.780 -10.909 43 H LEU 8 H LEU 8 27.875 -5.541 -12.371 44 HA LEU 8 HA LEU 8 25.166 -5.266 -11.838 45 HG LEU 8 HG LEU 8 24.245 -7.949 -12.472 46 HB2 LEU 8 2HB LEU 8 26.194 -6.199 -13.882 47 HB3 LEU 8 1HB LEU 8 26.683 -7.615 -12.974 48 HD11 LEU 8 1HD1 LEU 8 22.663 -6.988 -14.099 49 HD12 LEU 8 2HD1 LEU 8 23.967 -5.980 -14.728 50 HD13 LEU 8 3HD1 LEU 8 23.411 -5.766 -13.069 51 HD21 LEU 8 1HD2 LEU 8 25.468 -9.364 -14.014 52 HD22 LEU 8 2HD2 LEU 8 25.198 -8.204 -15.314 53 HD23 LEU 8 3HD2 LEU 8 23.834 -9.077 -14.613 54 H LYS 9 H LYS 9 27.583 -7.518 -10.609 55 HA LYS 9 HA LYS 9 25.797 -9.152 -9.122 56 HB2 LYS 9 2HB LYS 9 28.222 -9.618 -9.906 57 HB3 LYS 9 1HB LYS 9 28.703 -8.754 -8.456 58 HG2 LYS 9 2HG LYS 9 28.742 -11.084 -7.980 59 HG3 LYS 9 1HG LYS 9 27.374 -10.376 -7.121 60 HD2 LYS 9 2HD LYS 9 25.822 -11.242 -8.701 61 HD3 LYS 9 1HD LYS 9 27.114 -11.710 -9.808 62 HE2 LYS 9 2HE LYS 9 27.906 -13.360 -8.182 63 HE3 LYS 9 1HE LYS 9 26.628 -12.883 -7.069 64 HZ1 LYS 9 1HZ LYS 9 24.986 -13.711 -8.540 65 HZ2 LYS 9 2HZ LYS 9 26.164 -14.921 -8.395 66 HZ3 LYS 9 3HZ LYS 9 26.111 -13.956 -9.788 67 H ALA 10 H ALA 10 27.756 -6.321 -8.325 68 HA ALA 10 HA ALA 10 27.097 -6.287 -5.555 69 HB1 ALA 10 1HB ALA 10 29.056 -5.119 -6.458 70 HB2 ALA 10 2HB ALA 10 28.001 -4.021 -5.568 71 HB3 ALA 10 3HB ALA 10 27.992 -4.015 -7.331 72 H LYS 11 H LYS 11 25.697 -4.896 -8.441 73 HA LYS 11 HA LYS 11 23.683 -3.341 -7.221 74 HB2 LYS 11 2HB LYS 11 24.543 -3.537 -9.718 75 HB3 LYS 11 1HB LYS 11 23.257 -4.723 -9.848 76 HG2 LYS 11 2HG LYS 11 22.810 -1.902 -8.913 77 HG3 LYS 11 1HG LYS 11 22.692 -2.402 -10.598 78 HD2 LYS 11 2HD LYS 11 20.989 -4.108 -9.838 79 HD3 LYS 11 1HD LYS 11 20.992 -3.282 -8.279 80 HE2 LYS 11 2HE LYS 11 20.316 -2.046 -10.946 81 HE3 LYS 11 1HE LYS 11 19.164 -2.492 -9.689 82 HZ1 LYS 11 1HZ LYS 11 19.678 -0.119 -9.678 83 HZ2 LYS 11 2HZ LYS 11 21.311 -0.456 -9.399 84 HZ3 LYS 11 3HZ LYS 11 20.151 -0.856 -8.227 85 H LEU 12 H LEU 12 23.670 -6.669 -8.492 86 HA LEU 12 HA LEU 12 21.056 -7.339 -7.710 87 HG LEU 12 HG LEU 12 21.713 -10.320 -6.786 88 HB2 LEU 12 2HB LEU 12 22.355 -8.701 -9.261 89 HB3 LEU 12 1HB LEU 12 23.489 -9.103 -7.987 90 HD11 LEU 12 1HD1 LEU 12 19.588 -10.772 -7.895 91 HD12 LEU 12 2HD1 LEU 12 20.032 -9.676 -9.204 92 HD13 LEU 12 3HD1 LEU 12 19.790 -9.051 -7.572 93 HD21 LEU 12 1HD2 LEU 12 22.047 -11.162 -9.663 94 HD22 LEU 12 2HD2 LEU 12 21.551 -12.201 -8.328 95 HD23 LEU 12 3HD2 LEU 12 23.171 -11.504 -8.348 96 H LYS 13 H LYS 13 24.149 -7.607 -6.027 97 HA LYS 13 HA LYS 13 23.389 -8.854 -3.674 98 HB2 LYS 13 2HB LYS 13 25.700 -8.236 -4.198 99 HB3 LYS 13 1HB LYS 13 25.299 -6.536 -4.048 100 HG2 LYS 13 2HG LYS 13 24.755 -6.921 -1.664 101 HG3 LYS 13 1HG LYS 13 25.318 -8.584 -1.845 102 HD2 LYS 13 2HD LYS 13 27.529 -7.792 -2.462 103 HD3 LYS 13 1HD LYS 13 26.974 -6.121 -2.379 104 HE2 LYS 13 2HE LYS 13 28.202 -6.687 -0.374 105 HE3 LYS 13 1HE LYS 13 26.505 -6.410 0.013 106 HZ1 LYS 13 1HZ LYS 13 27.684 -9.103 -0.404 107 HZ2 LYS 13 2HZ LYS 13 26.138 -8.740 0.196 108 HZ3 LYS 13 3HZ LYS 13 27.513 -8.372 1.117 109 H LYS 14 H LYS 14 23.316 -5.420 -4.458 110 HA LYS 14 HA LYS 14 22.217 -4.493 -2.061 111 HB2 LYS 14 2HB LYS 14 23.281 -3.049 -3.769 112 HB3 LYS 14 1HB LYS 14 21.910 -3.320 -4.834 113 HG2 LYS 14 2HG LYS 14 21.727 -1.171 -3.747 114 HG3 LYS 14 1HG LYS 14 20.434 -2.244 -3.208 115 HD2 LYS 14 2HD LYS 14 21.861 -2.778 -1.204 116 HD3 LYS 14 1HD LYS 14 22.941 -1.479 -1.719 117 HE2 LYS 14 2HE LYS 14 21.396 -0.662 -0.041 118 HE3 LYS 14 1HE LYS 14 21.064 0.105 -1.594 119 HZ1 LYS 14 1HZ LYS 14 19.577 -2.235 -0.526 120 HZ2 LYS 14 2HZ LYS 14 19.203 -1.349 -1.926 121 HZ3 LYS 14 3HZ LYS 14 19.046 -0.630 -0.396 122 H LEU 15 H LEU 15 20.600 -5.319 -5.126 123 HA LEU 15 HA LEU 15 17.989 -4.691 -4.263 124 HG LEU 15 HG LEU 15 19.504 -4.227 -6.926 125 HB2 LEU 15 2HB LEU 15 18.948 -6.556 -6.428 126 HB3 LEU 15 1HB LEU 15 17.271 -6.117 -6.192 127 HD11 LEU 15 1HD1 LEU 15 18.856 -5.698 -8.753 128 HD12 LEU 15 2HD1 LEU 15 18.308 -4.050 -9.057 129 HD13 LEU 15 3HD1 LEU 15 17.161 -5.273 -8.511 130 HD21 LEU 15 1HD2 LEU 15 17.739 -2.557 -7.166 131 HD22 LEU 15 2HD2 LEU 15 17.830 -3.153 -5.508 132 HD23 LEU 15 3HD2 LEU 15 16.551 -3.720 -6.583 133 H ASN 16 H ASN 16 19.745 -7.753 -4.388 134 HA ASN 16 HA ASN 16 17.725 -9.493 -3.642 135 HB2 ASN 16 2HB ASN 16 19.927 -10.221 -4.438 136 HB3 ASN 16 1HB ASN 16 20.669 -9.633 -2.955 137 HD21 ASN 16 1HD2 ASN 16 18.709 -12.100 -4.408 138 HD22 ASN 16 2HD2 ASN 16 18.782 -13.215 -3.081 139 H ALA 17 H ALA 17 20.047 -7.810 -1.534 140 HA ALA 17 HA ALA 17 18.974 -8.837 0.880 141 HB1 ALA 17 1HB ALA 17 21.259 -7.955 0.691 142 HB2 ALA 17 2HB ALA 17 20.355 -7.189 1.998 143 HB3 ALA 17 3HB ALA 17 20.605 -6.331 0.476 144 H GLN 18 H GLN 18 18.359 -5.875 -0.953 145 HA GLN 18 HA GLN 18 16.807 -4.599 1.044 146 HB2 GLN 18 2HB GLN 18 17.830 -3.412 -0.877 147 HB3 GLN 18 1HB GLN 18 16.691 -4.207 -1.954 148 HG2 GLN 18 2HG GLN 18 14.837 -3.120 -0.769 149 HG3 GLN 18 1HG GLN 18 16.000 -2.294 0.267 150 HE21 GLN 18 1HE2 GLN 18 14.601 -2.487 -2.887 151 HE22 GLN 18 2HE2 GLN 18 15.219 -0.987 -3.489 152 H ALA 19 H ALA 19 15.893 -6.509 -1.811 153 HA ALA 19 HA ALA 19 13.116 -6.263 -1.485 154 HB1 ALA 19 1HB ALA 19 14.660 -8.493 -2.797 155 HB2 ALA 19 2HB ALA 19 14.138 -6.996 -3.571 156 HB3 ALA 19 3HB ALA 19 12.940 -8.161 -3.006 157 H THR 20 H THR 20 15.405 -8.653 -0.252 158 HA THR 20 HA THR 20 13.454 -10.396 0.835 159 HB THR 20 HB THR 20 16.341 -10.089 1.696 160 HG1 THR 20 1HG THR 20 16.531 -10.594 -0.407 161 HG21 THR 20 1HG2 THR 20 16.128 -12.462 2.321 162 HG22 THR 20 2HG2 THR 20 14.422 -12.418 1.878 163 HG23 THR 20 3HG2 THR 20 15.008 -11.447 3.229 164 H ALA 21 H ALA 21 15.238 -7.643 2.132 165 HA ALA 21 HA ALA 21 14.448 -7.957 4.830 166 HB1 ALA 21 1HB ALA 21 15.164 -5.632 5.107 167 HB2 ALA 21 2HB ALA 21 15.262 -5.457 3.354 168 HB3 ALA 21 3HB ALA 21 16.342 -6.572 4.191 169 H LEU 22 H LEU 22 13.190 -5.820 2.261 170 HA LEU 22 HA LEU 22 11.065 -4.780 3.809 171 HG LEU 22 HG LEU 22 11.457 -2.398 1.030 172 HB2 LEU 22 2HB LEU 22 11.690 -4.842 0.889 173 HB3 LEU 22 1HB LEU 22 10.086 -4.357 1.399 174 HD11 LEU 22 1HD1 LEU 22 10.988 -2.882 3.966 175 HD12 LEU 22 2HD1 LEU 22 9.813 -2.263 2.806 176 HD13 LEU 22 3HD1 LEU 22 11.240 -1.309 3.211 177 HD21 LEU 22 1HD2 LEU 22 13.445 -1.950 2.396 178 HD22 LEU 22 2HD2 LEU 22 13.652 -3.367 1.364 179 HD23 LEU 22 3HD2 LEU 22 13.324 -3.569 3.085 180 H LYS 23 H LYS 23 11.383 -7.652 1.872 181 HA LYS 23 HA LYS 23 8.725 -8.391 1.528 182 HB2 LYS 23 2HB LYS 23 10.687 -9.518 0.517 183 HB3 LYS 23 1HB LYS 23 11.097 -10.180 2.091 184 HG2 LYS 23 2HG LYS 23 9.085 -11.498 2.115 185 HG3 LYS 23 1HG LYS 23 8.544 -10.752 0.606 186 HD2 LYS 23 2HD LYS 23 10.482 -11.679 -0.555 187 HD3 LYS 23 1HD LYS 23 11.045 -12.408 0.947 188 HE2 LYS 23 2HE LYS 23 9.091 -13.831 1.033 189 HE3 LYS 23 1HE LYS 23 8.421 -13.046 -0.397 190 HZ1 LYS 23 1HZ LYS 23 10.242 -13.891 -1.703 191 HZ2 LYS 23 2HZ LYS 23 9.479 -15.175 -0.905 192 HZ3 LYS 23 3HZ LYS 23 10.963 -14.583 -0.334 193 H MET 24 H MET 24 10.909 -8.957 4.260 194 HA MET 24 HA MET 24 8.919 -10.315 5.822 195 HB2 MET 24 2HB MET 24 11.621 -9.183 6.553 196 HB3 MET 24 1HB MET 24 10.588 -10.043 7.684 197 HG2 MET 24 2HG MET 24 11.653 -11.204 5.119 198 HG3 MET 24 1HG MET 24 12.382 -11.431 6.706 199 HE1 MET 24 1HE MET 24 9.843 -12.686 4.151 200 HE2 MET 24 2HE MET 24 8.735 -11.664 5.067 201 HE3 MET 24 3HE MET 24 8.554 -13.418 5.108 202 H ASP 25 H ASP 25 10.180 -7.046 5.597 203 HA ASP 25 HA ASP 25 9.071 -5.991 7.953 204 HB2 ASP 25 2HB ASP 25 10.763 -4.972 6.205 205 HB3 ASP 25 1HB ASP 25 9.302 -4.313 5.476 206 H LEU 26 H LEU 26 7.802 -6.172 4.649 207 HA LEU 26 HA LEU 26 5.401 -4.790 5.050 208 HG LEU 26 HG LEU 26 3.556 -6.583 3.310 209 HB2 LEU 26 2HB LEU 26 6.282 -5.368 2.844 210 HB3 LEU 26 1HB LEU 26 6.004 -7.069 3.164 211 HD11 LEU 26 1HD1 LEU 26 2.744 -4.466 2.383 212 HD12 LEU 26 2HD1 LEU 26 4.402 -3.871 2.303 213 HD13 LEU 26 3HD1 LEU 26 3.667 -4.225 3.866 214 HD21 LEU 26 1HD2 LEU 26 4.564 -7.468 1.269 215 HD22 LEU 26 2HD2 LEU 26 4.901 -5.828 0.717 216 HD23 LEU 26 3HD2 LEU 26 3.234 -6.371 0.902 217 H HIS 27 H HIS 27 6.124 -8.258 5.381 218 HA HIS 27 HA HIS 27 3.477 -9.032 5.989 219 HD1 HIS 27 1HD HIS 27 5.857 -12.388 8.169 220 HD2 HIS 27 2HD HIS 27 2.232 -11.274 6.465 221 HE1 HIS 27 1HE HIS 27 4.138 -13.940 9.147 222 HE2 HIS 27 2HE HIS 27 1.939 -13.016 8.346 223 HB2 HIS 27 2HB HIS 27 5.133 -10.686 5.288 224 HB3 HIS 27 1HB HIS 27 6.085 -10.379 6.738 225 H ASP 28 H ASP 28 6.174 -7.985 8.006 226 HA ASP 28 HA ASP 28 4.944 -8.472 10.495 227 HB2 ASP 28 2HB ASP 28 7.325 -8.047 10.384 228 HB3 ASP 28 1HB ASP 28 7.046 -6.445 9.711 229 H LEU 29 H LEU 29 4.976 -5.650 8.365 230 HA LEU 29 HA LEU 29 3.494 -3.936 10.029 231 HG LEU 29 HG LEU 29 1.828 -2.481 7.969 232 HB2 LEU 29 2HB LEU 29 4.758 -3.194 8.043 233 HB3 LEU 29 1HB LEU 29 3.594 -4.000 7.013 234 HD11 LEU 29 1HD1 LEU 29 2.988 -1.856 10.015 235 HD12 LEU 29 2HD1 LEU 29 2.573 -0.432 9.061 236 HD13 LEU 29 3HD1 LEU 29 4.230 -1.034 9.071 237 HD21 LEU 29 1HD2 LEU 29 2.460 -0.583 6.582 238 HD22 LEU 29 2HD2 LEU 29 2.840 -2.105 5.774 239 HD23 LEU 29 3HD2 LEU 29 4.125 -1.161 6.528 240 H ALA 30 H ALA 30 2.517 -6.369 7.687 241 HA ALA 30 HA ALA 30 -0.218 -5.784 7.558 242 HB1 ALA 30 1HB ALA 30 0.938 -7.325 6.024 243 HB2 ALA 30 2HB ALA 30 -0.508 -8.042 6.734 244 HB3 ALA 30 3HB ALA 30 1.087 -8.494 7.336 245 H GLU 31 H GLU 31 1.618 -7.757 9.835 246 HA GLU 31 HA GLU 31 -0.741 -8.490 11.327 247 HB2 GLU 31 2HB GLU 31 2.067 -9.233 11.304 248 HB3 GLU 31 1HB GLU 31 1.475 -8.993 12.940 249 HG2 GLU 31 2HG GLU 31 1.255 -11.300 12.330 250 HG3 GLU 31 1HG GLU 31 -0.345 -10.579 12.493 251 H ASP 32 H ASP 32 1.503 -5.894 11.287 252 HA ASP 32 HA ASP 32 0.949 -5.103 14.032 253 HB2 ASP 32 2HB ASP 32 3.242 -4.925 12.840 254 HB3 ASP 32 1HB ASP 32 2.569 -3.486 12.082 255 H LEU 33 H LEU 33 -0.838 -4.986 11.461 256 HA LEU 33 HA LEU 33 -1.847 -2.384 11.265 257 HG LEU 33 HG LEU 33 -1.725 -4.007 8.974 258 HB2 LEU 33 2HB LEU 33 -2.960 -5.105 10.779 259 HB3 LEU 33 1HB LEU 33 -4.078 -3.754 10.848 260 HD11 LEU 33 1HD1 LEU 33 -4.693 -4.130 8.467 261 HD12 LEU 33 2HD1 LEU 33 -3.564 -5.483 8.383 262 HD13 LEU 33 3HD1 LEU 33 -3.434 -4.152 7.232 263 HD21 LEU 33 1HD2 LEU 33 -3.803 -1.827 9.228 264 HD22 LEU 33 2HD2 LEU 33 -2.598 -1.948 7.948 265 HD23 LEU 33 3HD2 LEU 33 -2.086 -1.681 9.613 266 HA PRO 34 HA PRO 34 -4.430 -0.220 13.216 267 HB2 PRO 34 2HB PRO 34 -5.044 -2.277 15.327 268 HB3 PRO 34 1HB PRO 34 -5.896 -0.764 14.975 269 HG2 PRO 34 2HG PRO 34 -6.506 -3.239 13.824 270 HG3 PRO 34 1HG PRO 34 -6.984 -1.664 13.170 271 HD2 PRO 34 2HD PRO 34 -5.249 -3.504 11.921 272 HD3 PRO 34 1HD PRO 34 -5.405 -1.779 11.497 273 H THR 35 H THR 35 -3.167 1.128 13.943 274 HA THR 35 HA THR 35 -1.764 2.248 15.422 275 HB THR 35 HB THR 35 -0.709 -0.464 16.279 276 HG1 THR 35 1HG THR 35 -2.543 -0.407 17.369 277 HG21 THR 35 1HG2 THR 35 -0.204 2.289 17.424 278 HG22 THR 35 2HG2 THR 35 0.959 1.319 16.519 279 HG23 THR 35 3HG2 THR 35 0.385 0.769 18.092 280 H GLY 36 H GLY 36 -1.165 -0.054 13.005 281 HA2 GLY 36 2HA GLY 36 1.421 1.243 12.393 282 HA3 GLY 36 1HA GLY 36 1.035 -0.414 11.955 283 H TRP 37 H TRP 37 -1.302 2.166 11.612 284 HA TRP 37 HA TRP 37 -1.749 1.494 8.878 285 HD1 TRP 37 HD TRP 37 -3.887 2.587 12.503 286 HE1 TRP 37 1HE TRP 37 -5.833 0.913 12.692 287 HE3 TRP 37 3HE TRP 37 -4.347 1.346 7.562 288 HZ2 TRP 37 2HZ TRP 37 -7.348 -0.736 10.956 289 HZ3 TRP 37 3HZ TRP 37 -6.068 -0.289 6.913 290 HH2 TRP 37 HH TRP 37 -7.535 -1.305 8.576 291 HB2 TRP 37 2HB TRP 37 -2.756 3.801 10.531 292 HB3 TRP 37 1HB TRP 37 -3.309 3.451 8.907 293 H ASN 38 H ASN 38 0.018 4.069 10.508 294 HA ASN 38 HA ASN 38 -0.022 5.834 8.262 295 HB2 ASN 38 2HB ASN 38 0.168 6.537 10.672 296 HB3 ASN 38 1HB ASN 38 1.827 5.951 10.653 297 HD21 ASN 38 1HD2 ASN 38 3.404 7.181 9.708 298 HD22 ASN 38 2HD2 ASN 38 3.120 8.760 9.050 299 H ARG 39 H ARG 39 1.816 3.088 8.939 300 HA ARG 39 HA ARG 39 4.158 4.015 7.470 301 HE ARG 39 HE ARG 39 4.523 2.879 12.691 302 HB2 ARG 39 2HB ARG 39 3.704 1.301 8.690 303 HB3 ARG 39 1HB ARG 39 5.227 2.049 8.258 304 HG2 ARG 39 2HG ARG 39 5.012 3.651 10.037 305 HG3 ARG 39 1HG ARG 39 3.403 3.038 10.427 306 HD2 ARG 39 2HD ARG 39 4.683 0.761 10.662 307 HD3 ARG 39 1HD ARG 39 6.074 1.817 10.915 308 HH11 ARG 39 1HH1 ARG 39 4.714 -0.511 11.857 309 HH12 ARG 39 2HH1 ARG 39 4.132 -1.069 13.400 310 HH21 ARG 39 1HH2 ARG 39 3.762 2.160 14.735 311 HH22 ARG 39 2HH2 ARG 39 3.621 0.452 15.043 312 H ILE 40 H ILE 40 1.219 2.598 6.822 313 HA ILE 40 HA ILE 40 1.754 0.406 5.225 314 HB ILE 40 HB ILE 40 -0.525 2.371 5.164 315 HG12 ILE 40 2HG1 ILE 40 -0.277 -0.499 6.100 316 HG13 ILE 40 1HG1 ILE 40 -0.339 0.924 7.132 317 HG21 ILE 40 1HG2 ILE 40 -0.318 1.471 2.910 318 HG22 ILE 40 2HG2 ILE 40 -1.741 0.812 3.715 319 HG23 ILE 40 3HG2 ILE 40 -0.286 -0.172 3.553 320 HD11 ILE 40 1HD1 ILE 40 -2.604 1.391 6.364 321 HD12 ILE 40 2HD1 ILE 40 -2.475 -0.217 7.080 322 HD13 ILE 40 3HD1 ILE 40 -2.540 -0.035 5.328 323 H MET 41 H MET 41 1.394 3.793 4.149 324 HA MET 41 HA MET 41 1.604 3.261 1.409 325 HB2 MET 41 2HB MET 41 2.218 5.734 3.012 326 HB3 MET 41 1HB MET 41 2.346 5.693 1.261 327 HG2 MET 41 2HG MET 41 -0.199 4.813 2.520 328 HG3 MET 41 1HG MET 41 0.174 6.533 2.472 329 HE1 MET 41 1HE MET 41 -0.434 3.858 -1.260 330 HE2 MET 41 2HE MET 41 -0.556 3.303 0.412 331 HE3 MET 41 3HE MET 41 1.018 3.718 -0.266 332 H GLU 42 H GLU 42 4.131 4.012 3.768 333 HA GLU 42 HA GLU 42 6.236 4.262 1.902 334 HB2 GLU 42 2HB GLU 42 6.346 5.087 4.240 335 HB3 GLU 42 1HB GLU 42 6.372 3.426 4.807 336 HG2 GLU 42 2HG GLU 42 8.474 3.088 3.524 337 HG3 GLU 42 1HG GLU 42 8.477 4.811 3.161 338 H VAL 43 H VAL 43 5.423 1.606 4.110 339 HA VAL 43 HA VAL 43 7.389 -0.149 3.134 340 HB VAL 43 HB VAL 43 4.815 -0.906 4.518 341 HG11 VAL 43 1HG1 VAL 43 7.464 -2.336 4.322 342 HG12 VAL 43 2HG1 VAL 43 5.962 -2.812 3.530 343 HG13 VAL 43 3HG1 VAL 43 6.085 -2.860 5.289 344 HG21 VAL 43 1HG2 VAL 43 6.107 -0.789 6.594 345 HG22 VAL 43 2HG2 VAL 43 6.004 0.781 5.799 346 HG23 VAL 43 3HG2 VAL 43 7.489 -0.166 5.694 347 H ALA 44 H ALA 44 3.975 0.268 2.247 348 HA ALA 44 HA ALA 44 3.780 -1.964 0.542 349 HB1 ALA 44 1HB ALA 44 2.323 0.668 0.313 350 HB2 ALA 44 2HB ALA 44 1.822 -0.702 1.304 351 HB3 ALA 44 3HB ALA 44 1.858 -0.852 -0.452 352 H GLU 45 H GLU 45 4.722 1.403 -0.120 353 HA GLU 45 HA GLU 45 5.077 1.061 -2.898 354 HB2 GLU 45 2HB GLU 45 4.889 3.275 -1.826 355 HB3 GLU 45 1HB GLU 45 6.443 3.019 -1.044 356 HG2 GLU 45 2HG GLU 45 7.511 2.891 -3.258 357 HG3 GLU 45 1HG GLU 45 5.950 3.232 -4.004 358 H LYS 46 H LYS 46 7.451 1.140 -0.256 359 HA LYS 46 HA LYS 46 9.717 0.725 -1.810 360 HB2 LYS 46 2HB LYS 46 9.147 0.159 1.077 361 HB3 LYS 46 1HB LYS 46 10.737 -0.073 0.360 362 HG2 LYS 46 2HG LYS 46 10.873 2.237 -0.241 363 HG3 LYS 46 1HG LYS 46 9.215 2.513 0.293 364 HD2 LYS 46 2HD LYS 46 10.816 3.289 1.935 365 HD3 LYS 46 1HD LYS 46 9.849 1.960 2.570 366 HE2 LYS 46 2HE LYS 46 11.686 0.413 2.046 367 HE3 LYS 46 1HE LYS 46 12.655 1.774 1.486 368 HZ1 LYS 46 1HZ LYS 46 12.532 2.717 3.716 369 HZ2 LYS 46 2HZ LYS 46 13.223 1.167 3.747 370 HZ3 LYS 46 3HZ LYS 46 11.616 1.387 4.241 371 H THR 47 H THR 47 7.724 -1.680 -0.093 372 HA THR 47 HA THR 47 9.401 -3.867 -0.748 373 HB THR 47 HB THR 47 6.457 -4.015 -0.097 374 HG1 THR 47 1HG THR 47 7.246 -2.957 1.627 375 HG21 THR 47 1HG2 THR 47 8.730 -5.957 0.325 376 HG22 THR 47 2HG2 THR 47 7.449 -6.109 -0.879 377 HG23 THR 47 3HG2 THR 47 7.060 -6.201 0.840 378 H TYR 48 H TYR 48 6.408 -2.610 -2.207 379 HA TYR 48 HA TYR 48 6.146 -4.560 -4.209 380 HD1 TYR 48 2HD TYR 48 3.931 -4.808 -5.645 381 HD2 TYR 48 1HD TYR 48 5.135 -0.781 -6.307 382 HE1 TYR 48 2HE TYR 48 3.117 -4.948 -7.959 383 HE2 TYR 48 1HE TYR 48 4.320 -0.914 -8.624 384 HH TYR 48 HH TYR 48 2.373 -3.512 -9.740 385 HB2 TYR 48 2HB TYR 48 4.316 -3.062 -3.733 386 HB3 TYR 48 1HB TYR 48 5.292 -1.661 -4.162 387 H GLU 49 H GLU 49 7.739 -1.391 -4.244 388 HA GLU 49 HA GLU 49 8.613 -1.533 -6.919 389 HB2 GLU 49 2HB GLU 49 9.111 0.215 -4.594 390 HB3 GLU 49 1HB GLU 49 10.358 0.213 -5.831 391 HG2 GLU 49 2HG GLU 49 7.435 0.731 -6.336 392 HG3 GLU 49 1HG GLU 49 8.661 1.981 -6.127 393 H ALA 50 H ALA 50 10.231 -2.385 -3.870 394 HA ALA 50 HA ALA 50 12.774 -2.854 -4.984 395 HB1 ALA 50 1HB ALA 50 12.355 -2.595 -2.574 396 HB2 ALA 50 2HB ALA 50 13.285 -4.048 -2.942 397 HB3 ALA 50 3HB ALA 50 11.568 -4.174 -2.556 398 H TYR 51 H TYR 51 10.072 -5.095 -4.390 399 HA TYR 51 HA TYR 51 11.436 -7.371 -5.380 400 HD1 TYR 51 1HD TYR 51 10.324 -8.208 -2.628 401 HD2 TYR 51 2HD TYR 51 8.911 -9.799 -6.312 402 HE1 TYR 51 1HE TYR 51 10.766 -10.484 -1.807 403 HE2 TYR 51 2HE TYR 51 9.343 -12.080 -5.499 404 HH TYR 51 HH TYR 51 10.738 -13.219 -3.859 405 HB2 TYR 51 2HB TYR 51 8.946 -6.859 -4.208 406 HB3 TYR 51 1HB TYR 51 8.569 -7.502 -5.803 407 H ARG 52 H ARG 52 9.516 -4.851 -6.873 408 HA ARG 52 HA ARG 52 9.421 -6.010 -9.463 409 HE ARG 52 HE ARG 52 8.249 -2.206 -12.921 410 HB2 ARG 52 2HB ARG 52 7.842 -4.295 -9.015 411 HB3 ARG 52 1HB ARG 52 9.097 -3.177 -8.490 412 HG2 ARG 52 2HG ARG 52 9.980 -3.104 -10.768 413 HG3 ARG 52 1HG ARG 52 8.713 -4.209 -11.284 414 HD2 ARG 52 2HD ARG 52 7.020 -2.591 -10.804 415 HD3 ARG 52 1HD ARG 52 8.197 -1.514 -10.051 416 HH11 ARG 52 1HH1 ARG 52 8.516 0.119 -10.297 417 HH12 ARG 52 2HH1 ARG 52 8.995 1.420 -11.351 418 HH21 ARG 52 1HH2 ARG 52 8.903 -0.490 -14.289 419 HH22 ARG 52 2HH2 ARG 52 9.224 1.075 -13.609 420 H GLN 53 H GLN 53 11.607 -3.687 -7.917 421 HA GLN 53 HA GLN 53 13.253 -3.178 -10.124 422 HB2 GLN 53 2HB GLN 53 13.943 -3.208 -7.184 423 HB3 GLN 53 1HB GLN 53 15.029 -2.626 -8.436 424 HG2 GLN 53 2HG GLN 53 12.440 -1.445 -7.499 425 HG3 GLN 53 1HG GLN 53 14.040 -0.711 -7.536 426 HE21 GLN 53 1HE2 GLN 53 11.165 -1.387 -9.278 427 HE22 GLN 53 2HE2 GLN 53 11.556 -0.503 -10.712 428 H LEU 54 H LEU 54 13.242 -5.831 -7.824 429 HA LEU 54 HA LEU 54 15.598 -7.101 -8.712 430 HG LEU 54 HG LEU 54 14.707 -10.076 -8.490 431 HB2 LEU 54 2HB LEU 54 14.305 -7.703 -6.661 432 HB3 LEU 54 1HB LEU 54 13.084 -8.423 -7.690 433 HD11 LEU 54 1HD1 LEU 54 16.905 -10.250 -7.426 434 HD12 LEU 54 2HD1 LEU 54 16.601 -8.748 -6.552 435 HD13 LEU 54 3HD1 LEU 54 16.733 -8.736 -8.312 436 HD21 LEU 54 1HD2 LEU 54 14.942 -11.336 -6.411 437 HD22 LEU 54 2HD2 LEU 54 13.349 -10.588 -6.523 438 HD23 LEU 54 3HD2 LEU 54 14.585 -9.881 -5.482 439 H ASP 55 H ASP 55 12.275 -7.191 -9.884 440 HA ASP 55 HA ASP 55 12.748 -9.069 -11.988 441 HB2 ASP 55 2HB ASP 55 10.490 -8.766 -11.263 442 HB3 ASP 55 1HB ASP 55 10.576 -7.023 -11.508 443 H GLU 56 H GLU 56 12.772 -5.545 -11.751 444 HA GLU 56 HA GLU 56 13.319 -4.857 -14.386 445 HB2 GLU 56 2HB GLU 56 14.425 -3.655 -11.838 446 HB3 GLU 56 1HB GLU 56 14.528 -2.900 -13.421 447 HG2 GLU 56 2HG GLU 56 11.909 -3.636 -12.158 448 HG3 GLU 56 1HG GLU 56 12.706 -2.093 -11.861 449 H PHE 57 H PHE 57 15.474 -5.967 -11.827 450 HA PHE 57 HA PHE 57 17.894 -5.860 -13.243 451 HD1 PHE 57 2HD PHE 57 20.129 -5.871 -11.227 452 HD2 PHE 57 1HD PHE 57 18.339 -9.687 -11.809 453 HE1 PHE 57 2HE PHE 57 22.358 -6.907 -11.282 454 HE2 PHE 57 1HE PHE 57 20.567 -10.729 -11.868 455 HZ PHE 57 HZ PHE 57 22.579 -9.337 -11.604 456 HB2 PHE 57 2HB PHE 57 17.776 -6.221 -10.811 457 HB3 PHE 57 1HB PHE 57 17.028 -7.792 -11.073 458 H ARG 58 H ARG 58 15.452 -8.418 -12.964 459 HA ARG 58 HA ARG 58 16.763 -10.371 -14.474 460 HE ARG 58 HE ARG 58 12.268 -10.619 -13.040 461 HB2 ARG 58 2HB ARG 58 13.798 -9.866 -14.145 462 HB3 ARG 58 1HB ARG 58 14.508 -11.334 -14.775 463 HG2 ARG 58 2HG ARG 58 15.712 -11.565 -12.576 464 HG3 ARG 58 1HG ARG 58 14.683 -10.259 -11.987 465 HD2 ARG 58 2HD ARG 58 13.819 -12.961 -13.001 466 HD3 ARG 58 1HD ARG 58 13.687 -12.344 -11.355 467 HH11 ARG 58 1HH1 ARG 58 12.066 -13.935 -11.895 468 HH12 ARG 58 2HH1 ARG 58 10.334 -14.013 -12.051 469 HH21 ARG 58 1HH2 ARG 58 10.030 -10.727 -13.294 470 HH22 ARG 58 2HH2 ARG 58 9.173 -12.195 -12.894 471 H LYS 59 H LYS 59 14.464 -7.832 -15.433 472 HA LYS 59 HA LYS 59 14.362 -8.381 -18.178 473 HB2 LYS 59 2HB LYS 59 13.783 -6.057 -16.457 474 HB3 LYS 59 1HB LYS 59 14.190 -5.656 -18.117 475 HG2 LYS 59 2HG LYS 59 11.860 -5.812 -18.058 476 HG3 LYS 59 1HG LYS 59 12.410 -7.306 -18.812 477 HD2 LYS 59 2HD LYS 59 12.089 -8.516 -16.744 478 HD3 LYS 59 1HD LYS 59 11.675 -7.021 -15.899 479 HE2 LYS 59 2HE LYS 59 9.749 -6.747 -17.441 480 HE3 LYS 59 1HE LYS 59 10.128 -8.320 -18.137 481 HZ1 LYS 59 1HZ LYS 59 9.745 -9.334 -15.994 482 HZ2 LYS 59 2HZ LYS 59 8.379 -8.447 -16.457 483 HZ3 LYS 59 3HZ LYS 59 9.442 -7.826 -15.288 484 H SER 60 H SER 60 16.491 -6.197 -16.374 485 HA SER 60 HA SER 60 17.867 -5.195 -18.602 486 HG SER 60 HG SER 60 16.857 -4.341 -15.842 487 HB2 SER 60 2HB SER 60 18.866 -5.401 -15.754 488 HB3 SER 60 1HB SER 60 19.459 -4.294 -16.995 489 H THR 61 H THR 61 18.730 -7.773 -16.338 490 HA THR 61 HA THR 61 21.286 -8.271 -17.418 491 HB THR 61 HB THR 61 19.549 -10.205 -15.875 492 HG1 THR 61 1HG THR 61 19.745 -8.412 -14.606 493 HG21 THR 61 1HG2 THR 61 22.546 -10.012 -16.227 494 HG22 THR 61 2HG2 THR 61 21.500 -11.273 -16.880 495 HG23 THR 61 3HG2 THR 61 21.724 -11.126 -15.136 496 H ALA 62 H ALA 62 18.152 -9.842 -17.973 497 HA ALA 62 HA ALA 62 19.165 -11.916 -19.594 498 HB1 ALA 62 1HB ALA 62 16.848 -12.307 -20.246 499 HB2 ALA 62 2HB ALA 62 16.382 -10.745 -19.569 500 HB3 ALA 62 3HB ALA 62 16.973 -12.026 -18.511 501 H SER 63 H SER 63 17.934 -8.693 -20.353 502 HA SER 63 HA SER 63 18.000 -9.124 -23.190 503 HG SER 63 HG SER 63 16.155 -7.385 -20.889 504 HB2 SER 63 2HB SER 63 17.888 -6.477 -21.736 505 HB3 SER 63 1HB SER 63 17.312 -6.837 -23.367 506 H LEU 64 H LEU 64 20.209 -7.940 -20.774 507 HA LEU 64 HA LEU 64 22.019 -6.721 -22.633 508 HG LEU 64 HG LEU 64 23.750 -5.276 -19.723 509 HB2 LEU 64 2HB LEU 64 21.630 -6.367 -20.021 510 HB3 LEU 64 1HB LEU 64 22.890 -7.579 -19.915 511 HD11 LEU 64 1HD1 LEU 64 25.212 -7.030 -20.577 512 HD12 LEU 64 2HD1 LEU 64 25.572 -5.472 -21.319 513 HD13 LEU 64 3HD1 LEU 64 24.667 -6.691 -22.219 514 HD21 LEU 64 1HD2 LEU 64 22.127 -4.167 -21.154 515 HD22 LEU 64 2HD2 LEU 64 22.794 -4.988 -22.566 516 HD23 LEU 64 3HD2 LEU 64 23.775 -3.821 -21.679 517 H GLU 65 H GLU 65 21.819 -9.790 -20.896 518 HA GLU 65 HA GLU 65 24.334 -10.717 -21.991 519 HB2 GLU 65 2HB GLU 65 23.409 -11.340 -19.708 520 HB3 GLU 65 1HB GLU 65 22.257 -12.361 -20.550 521 HG2 GLU 65 2HG GLU 65 24.088 -13.640 -21.524 522 HG3 GLU 65 1HG GLU 65 25.251 -12.617 -20.683 523 H HIS 66 H HIS 66 21.186 -10.509 -22.972 524 HA HIS 66 HA HIS 66 20.098 -11.089 -24.879 525 HD1 HIS 66 1HD HIS 66 22.000 -13.979 -27.569 526 HD2 HIS 66 2HD HIS 66 20.021 -10.323 -27.714 527 HE1 HIS 66 1HE HIS 66 20.727 -13.980 -29.743 528 HE2 HIS 66 2HE HIS 66 19.721 -11.673 -29.901 529 HB2 HIS 66 2HB HIS 66 22.342 -10.783 -25.946 530 HB3 HIS 66 1HB HIS 66 22.646 -12.495 -25.699 531 H HIS 67 H HIS 67 20.502 -12.836 -22.430 532 HA HIS 67 HA HIS 67 19.413 -15.310 -23.601 533 HD1 HIS 67 1HD HIS 67 23.204 -15.619 -20.910 534 HD2 HIS 67 2HD HIS 67 21.277 -16.726 -24.431 535 HE1 HIS 67 1HE HIS 67 25.007 -16.527 -22.419 536 HE2 HIS 67 2HE HIS 67 23.783 -17.376 -24.453 537 HB2 HIS 67 2HB HIS 67 20.816 -14.919 -20.947 538 HB3 HIS 67 1HB HIS 67 20.009 -16.405 -21.430 539 H HIS 68 H HIS 68 17.300 -14.709 -23.708 540 HA HIS 68 HA HIS 68 15.934 -13.255 -21.714 541 HD1 HIS 68 1HD HIS 68 12.462 -15.598 -22.873 542 HD2 HIS 68 2HD HIS 68 13.554 -11.596 -22.527 543 HE1 HIS 68 1HE HIS 68 10.399 -14.393 -22.071 544 HE2 HIS 68 2HE HIS 68 11.053 -11.963 -21.946 545 HB2 HIS 68 2HB HIS 68 15.166 -13.492 -24.078 546 HB3 HIS 68 1HB HIS 68 14.750 -15.167 -23.742 547 H HIS 69 H HIS 69 15.143 -13.844 -19.837 548 HA HIS 69 HA HIS 69 14.569 -15.052 -18.018 549 HD1 HIS 69 1HD HIS 69 13.111 -18.331 -16.945 550 HD2 HIS 69 2HD HIS 69 11.420 -15.013 -18.799 551 HE1 HIS 69 1HE HIS 69 10.996 -17.846 -15.677 552 HE2 HIS 69 2HE HIS 69 9.865 -16.033 -17.002 553 HB2 HIS 69 2HB HIS 69 13.463 -16.533 -20.139 554 HB3 HIS 69 1HB HIS 69 14.273 -17.704 -19.104 555 H HIS 70 H HIS 70 16.894 -14.641 -17.664 556 HA HIS 70 HA HIS 70 18.387 -17.167 -17.449 557 HD1 HIS 70 1HD HIS 70 21.581 -17.312 -18.289 558 HD2 HIS 70 2HD HIS 70 21.076 -14.145 -15.634 559 HE1 HIS 70 1HE HIS 70 23.625 -17.314 -16.830 560 HE2 HIS 70 2HE HIS 70 23.214 -15.502 -15.129 561 HB2 HIS 70 2HB HIS 70 19.632 -15.726 -18.896 562 HB3 HIS 70 1HB HIS 70 19.362 -14.333 -17.858 563 H HIS 71 H HIS 71 19.042 -17.789 -15.456 564 HA HIS 71 HA HIS 71 18.982 -15.798 -13.304 565 HD1 HIS 71 1HD HIS 71 16.977 -19.486 -14.646 566 HD2 HIS 71 2HD HIS 71 19.163 -19.796 -11.118 567 HE1 HIS 71 1HE HIS 71 17.406 -21.945 -14.321 568 HE2 HIS 71 2HE HIS 71 18.631 -22.118 -12.125 569 HB2 HIS 71 2HB HIS 71 18.033 -17.347 -11.734 570 HB3 HIS 71 1HB HIS 71 16.988 -17.323 -13.145 571 HA MET 1 HA MET 1 -31.296 26.432 5.027 572 H1 MET 1 1H MET 1 -32.930 26.875 2.597 573 H2 MET 1 2H MET 1 -31.503 27.707 2.986 574 H3 MET 1 3H MET 1 -32.875 27.871 3.971 575 HB2 MET 1 2HB MET 1 -33.822 25.979 5.092 576 HB3 MET 1 1HB MET 1 -33.515 24.699 3.929 577 HG2 MET 1 2HG MET 1 -32.179 24.847 6.620 578 HG3 MET 1 1HG MET 1 -33.687 23.986 6.325 579 HE1 MET 1 1HE MET 1 -31.056 22.682 7.593 580 HE2 MET 1 2HE MET 1 -31.019 21.124 6.767 581 HE3 MET 1 3HE MET 1 -32.553 21.780 7.339 582 H SER 2 H SER 2 -29.463 25.450 4.601 583 HA SER 2 HA SER 2 -29.327 23.640 2.286 584 HG SER 2 HG SER 2 -27.921 26.163 0.771 585 HB2 SER 2 2HB SER 2 -27.123 25.526 3.164 586 HB3 SER 2 1HB SER 2 -27.123 24.482 1.742 587 H GLU 3 H GLU 3 -27.912 21.880 2.518 588 HA GLU 3 HA GLU 3 -26.551 20.354 3.502 589 HB2 GLU 3 2HB GLU 3 -25.172 22.229 4.239 590 HB3 GLU 3 1HB GLU 3 -26.184 22.423 5.658 591 HG2 GLU 3 2HG GLU 3 -25.501 20.199 6.427 592 HG3 GLU 3 1HG GLU 3 -24.448 20.055 5.017 593 H GLY 4 H GLY 4 -27.489 18.638 4.173 594 HA2 GLY 4 2HA GLY 4 -29.163 18.738 6.597 595 HA3 GLY 4 1HA GLY 4 -29.665 17.854 5.163 596 H ALA 5 H ALA 5 -29.437 16.682 7.665 597 HA ALA 5 HA ALA 5 -26.938 15.390 8.034 598 HB1 ALA 5 1HB ALA 5 -29.648 14.634 9.114 599 HB2 ALA 5 2HB ALA 5 -28.509 15.747 9.870 600 HB3 ALA 5 3HB ALA 5 -28.091 14.043 9.697 601 H GLU 6 H GLU 6 -29.546 14.846 5.924 602 HA GLU 6 HA GLU 6 -29.554 12.055 5.704 603 HB2 GLU 6 2HB GLU 6 -30.071 13.967 3.431 604 HB3 GLU 6 1HB GLU 6 -30.728 12.351 3.642 605 HG2 GLU 6 2HG GLU 6 -31.388 14.810 5.241 606 HG3 GLU 6 1HG GLU 6 -32.436 13.946 4.117 607 H GLU 7 H GLU 7 -27.810 14.486 3.798 608 HA GLU 7 HA GLU 7 -26.411 12.632 2.169 609 HB2 GLU 7 2HB GLU 7 -26.802 15.152 1.808 610 HB3 GLU 7 1HB GLU 7 -25.441 15.394 2.887 611 HG2 GLU 7 2HG GLU 7 -24.679 15.524 0.623 612 HG3 GLU 7 1HG GLU 7 -24.032 14.062 1.367 613 H LEU 8 H LEU 8 -25.756 14.146 5.241 614 HA LEU 8 HA LEU 8 -23.042 13.451 5.481 615 HG LEU 8 HG LEU 8 -23.440 12.803 8.561 616 HB2 LEU 8 2HB LEU 8 -23.950 15.190 6.835 617 HB3 LEU 8 1HB LEU 8 -25.210 14.144 7.449 618 HD11 LEU 8 1HD1 LEU 8 -21.716 15.164 7.834 619 HD12 LEU 8 2HD1 LEU 8 -21.533 13.518 7.227 620 HD13 LEU 8 3HD1 LEU 8 -21.267 13.865 8.936 621 HD21 LEU 8 1HD2 LEU 8 -23.182 14.377 10.419 622 HD22 LEU 8 2HD2 LEU 8 -24.824 14.395 9.773 623 HD23 LEU 8 3HD2 LEU 8 -23.701 15.693 9.366 624 H LYS 9 H LYS 9 -26.022 11.986 6.671 625 HA LYS 9 HA LYS 9 -24.838 9.813 8.022 626 HB2 LYS 9 2HB LYS 9 -27.225 10.785 8.179 627 HB3 LYS 9 1HB LYS 9 -27.583 9.768 6.793 628 HG2 LYS 9 2HG LYS 9 -28.264 8.682 8.837 629 HG3 LYS 9 1HG LYS 9 -26.938 7.792 8.088 630 HD2 LYS 9 2HD LYS 9 -25.417 8.427 9.707 631 HD3 LYS 9 1HD LYS 9 -26.335 9.868 10.146 632 HE2 LYS 9 2HE LYS 9 -27.209 7.038 10.711 633 HE3 LYS 9 1HE LYS 9 -26.396 8.087 11.871 634 HZ1 LYS 9 1HZ LYS 9 -28.756 8.173 12.231 635 HZ2 LYS 9 2HZ LYS 9 -29.043 8.575 10.611 636 HZ3 LYS 9 3HZ LYS 9 -28.243 9.671 11.626 637 H ALA 10 H ALA 10 -26.079 10.189 4.740 638 HA ALA 10 HA ALA 10 -25.778 7.487 3.956 639 HB1 ALA 10 1HB ALA 10 -27.168 9.104 2.729 640 HB2 ALA 10 2HB ALA 10 -26.002 8.302 1.678 641 HB3 ALA 10 3HB ALA 10 -25.709 9.956 2.218 642 H LYS 11 H LYS 11 -23.646 10.299 3.756 643 HA LYS 11 HA LYS 11 -21.582 8.960 2.320 644 HB2 LYS 11 2HB LYS 11 -21.927 11.466 2.498 645 HB3 LYS 11 1HB LYS 11 -21.245 11.364 4.113 646 HG2 LYS 11 2HG LYS 11 -19.503 12.052 2.669 647 HG3 LYS 11 1HG LYS 11 -19.187 10.365 3.077 648 HD2 LYS 11 2HD LYS 11 -20.159 9.668 0.942 649 HD3 LYS 11 1HD LYS 11 -20.484 11.352 0.535 650 HE2 LYS 11 2HE LYS 11 -18.036 11.793 0.719 651 HE3 LYS 11 1HE LYS 11 -17.788 10.060 0.931 652 HZ1 LYS 11 1HZ LYS 11 -17.434 10.629 -1.354 653 HZ2 LYS 11 2HZ LYS 11 -18.936 11.412 -1.456 654 HZ3 LYS 11 3HZ LYS 11 -18.870 9.730 -1.253 655 H LEU 12 H LEU 12 -22.009 9.769 5.753 656 HA LEU 12 HA LEU 12 -19.626 8.674 6.716 657 HG LEU 12 HG LEU 12 -20.776 7.406 9.367 658 HB2 LEU 12 2HB LEU 12 -21.107 10.106 8.050 659 HB3 LEU 12 1HB LEU 12 -22.318 8.841 8.076 660 HD11 LEU 12 1HD1 LEU 12 -19.010 9.847 9.386 661 HD12 LEU 12 2HD1 LEU 12 -18.658 8.310 8.597 662 HD13 LEU 12 3HD1 LEU 12 -18.765 8.397 10.356 663 HD21 LEU 12 1HD2 LEU 12 -22.421 8.787 10.518 664 HD22 LEU 12 2HD2 LEU 12 -21.272 10.125 10.568 665 HD23 LEU 12 3HD2 LEU 12 -20.942 8.644 11.467 666 H LYS 13 H LYS 13 -22.804 7.177 6.218 667 HA LYS 13 HA LYS 13 -22.284 4.643 7.224 668 HB2 LYS 13 2HB LYS 13 -24.492 5.535 6.442 669 HB3 LYS 13 1HB LYS 13 -23.947 5.302 4.788 670 HG2 LYS 13 2HG LYS 13 -25.364 3.475 5.476 671 HG3 LYS 13 1HG LYS 13 -23.717 2.904 5.204 672 HD2 LYS 13 2HD LYS 13 -24.576 1.903 7.214 673 HD3 LYS 13 1HD LYS 13 -23.313 3.048 7.645 674 HE2 LYS 13 2HE LYS 13 -24.958 4.690 8.276 675 HE3 LYS 13 1HE LYS 13 -26.264 3.647 7.716 676 HZ1 LYS 13 1HZ LYS 13 -24.410 3.017 9.953 677 HZ2 LYS 13 2HZ LYS 13 -25.709 2.057 9.431 678 HZ3 LYS 13 3HZ LYS 13 -26.003 3.577 10.123 679 H LYS 14 H LYS 14 -21.870 5.867 3.920 680 HA LYS 14 HA LYS 14 -20.862 3.536 2.781 681 HB2 LYS 14 2HB LYS 14 -21.705 5.573 1.577 682 HB3 LYS 14 1HB LYS 14 -20.183 6.361 1.970 683 HG2 LYS 14 2HG LYS 14 -20.273 5.416 -0.317 684 HG3 LYS 14 1HG LYS 14 -18.948 4.790 0.669 685 HD2 LYS 14 2HD LYS 14 -19.996 2.980 -0.546 686 HD3 LYS 14 1HD LYS 14 -20.302 2.793 1.175 687 HE2 LYS 14 2HE LYS 14 -22.311 2.303 -0.063 688 HE3 LYS 14 1HE LYS 14 -22.531 3.790 0.856 689 HZ1 LYS 14 1HZ LYS 14 -21.724 3.794 -1.997 690 HZ2 LYS 14 2HZ LYS 14 -22.343 5.083 -1.078 691 HZ3 LYS 14 3HZ LYS 14 -23.349 3.791 -1.512 692 H LEU 15 H LEU 15 -19.111 6.325 4.155 693 HA LEU 15 HA LEU 15 -16.526 5.353 3.644 694 HG LEU 15 HG LEU 15 -15.999 8.874 4.498 695 HB2 LEU 15 2HB LEU 15 -17.687 7.400 5.448 696 HB3 LEU 15 1HB LEU 15 -16.074 6.832 5.829 697 HD11 LEU 15 1HD1 LEU 15 -14.174 7.316 4.255 698 HD12 LEU 15 2HD1 LEU 15 -14.521 8.072 2.699 699 HD13 LEU 15 3HD1 LEU 15 -15.057 6.422 3.019 700 HD21 LEU 15 1HD2 LEU 15 -18.095 8.625 3.283 701 HD22 LEU 15 2HD2 LEU 15 -17.421 7.272 2.376 702 HD23 LEU 15 3HD2 LEU 15 -16.748 8.889 2.174 703 H ASN 16 H ASN 16 -18.633 4.972 6.462 704 HA ASN 16 HA ASN 16 -16.839 3.567 8.106 705 HB2 ASN 16 2HB ASN 16 -19.089 4.547 8.762 706 HB3 ASN 16 1HB ASN 16 -19.837 3.152 7.998 707 HD21 ASN 16 1HD2 ASN 16 -19.964 4.015 10.752 708 HD22 ASN 16 2HD2 ASN 16 -19.362 2.701 11.702 709 H ALA 17 H ALA 17 -19.316 2.373 5.847 710 HA ALA 17 HA ALA 17 -18.798 -0.370 6.195 711 HB1 ALA 17 1HB ALA 17 -20.849 0.515 5.178 712 HB2 ALA 17 2HB ALA 17 -20.078 -0.698 4.157 713 HB3 ALA 17 3HB ALA 17 -19.926 1.016 3.763 714 H GLN 18 H GLN 18 -17.534 1.973 3.872 715 HA GLN 18 HA GLN 18 -16.079 0.190 2.269 716 HB2 GLN 18 2HB GLN 18 -16.569 2.446 1.542 717 HB3 GLN 18 1HB GLN 18 -15.629 3.116 2.865 718 HG2 GLN 18 2HG GLN 18 -13.593 2.233 1.913 719 HG3 GLN 18 1HG GLN 18 -14.508 1.458 0.620 720 HE21 GLN 18 1HE2 GLN 18 -13.405 4.489 1.931 721 HE22 GLN 18 2HE2 GLN 18 -13.697 5.444 0.519 722 H ALA 19 H ALA 19 -15.057 2.136 5.068 723 HA ALA 19 HA ALA 19 -12.378 1.282 5.090 724 HB1 ALA 19 1HB ALA 19 -14.066 2.182 7.419 725 HB2 ALA 19 2HB ALA 19 -13.176 3.240 6.324 726 HB3 ALA 19 3HB ALA 19 -12.306 2.117 7.372 727 H THR 20 H THR 20 -15.267 -0.008 6.663 728 HA THR 20 HA THR 20 -14.049 -2.004 8.204 729 HB THR 20 HB THR 20 -16.785 -2.111 6.913 730 HG1 THR 20 1HG THR 20 -16.686 -0.244 8.145 731 HG21 THR 20 1HG2 THR 20 -15.688 -3.478 9.371 732 HG22 THR 20 2HG2 THR 20 -16.071 -4.257 7.837 733 HG23 THR 20 3HG2 THR 20 -17.360 -3.554 8.815 734 H ALA 21 H ALA 21 -15.210 -2.036 4.856 735 HA ALA 21 HA ALA 21 -14.734 -4.800 4.404 736 HB1 ALA 21 1HB ALA 21 -15.059 -4.265 2.044 737 HB2 ALA 21 2HB ALA 21 -14.960 -2.545 2.412 738 HB3 ALA 21 3HB ALA 21 -16.300 -3.503 3.042 739 H LEU 22 H LEU 22 -12.886 -1.873 3.571 740 HA LEU 22 HA LEU 22 -10.791 -3.197 2.248 741 HG LEU 22 HG LEU 22 -12.352 -0.545 1.764 742 HB2 LEU 22 2HB LEU 22 -10.805 -0.531 3.664 743 HB3 LEU 22 1HB LEU 22 -9.511 -1.097 2.627 744 HD11 LEU 22 1HD1 LEU 22 -11.068 1.474 2.228 745 HD12 LEU 22 2HD1 LEU 22 -11.362 1.288 0.498 746 HD13 LEU 22 3HD1 LEU 22 -9.778 0.903 1.172 747 HD21 LEU 22 1HD2 LEU 22 -9.958 -1.405 0.142 748 HD22 LEU 22 2HD2 LEU 22 -11.548 -0.981 -0.495 749 HD23 LEU 22 3HD2 LEU 22 -11.357 -2.408 0.525 750 H LYS 23 H LYS 23 -11.302 -2.439 5.630 751 HA LYS 23 HA LYS 23 -8.810 -2.935 6.716 752 HB2 LYS 23 2HB LYS 23 -10.740 -2.159 8.016 753 HB3 LYS 23 1HB LYS 23 -11.515 -3.725 7.817 754 HG2 LYS 23 2HG LYS 23 -9.575 -4.735 9.041 755 HG3 LYS 23 1HG LYS 23 -9.031 -3.092 9.386 756 HD2 LYS 23 2HD LYS 23 -10.307 -3.954 11.260 757 HD3 LYS 23 1HD LYS 23 -11.190 -2.635 10.484 758 HE2 LYS 23 2HE LYS 23 -12.517 -4.306 9.241 759 HE3 LYS 23 1HE LYS 23 -11.669 -5.586 10.104 760 HZ1 LYS 23 1HZ LYS 23 -12.556 -4.723 12.181 761 HZ2 LYS 23 2HZ LYS 23 -13.801 -5.135 11.106 762 HZ3 LYS 23 3HZ LYS 23 -13.391 -3.505 11.343 763 H MET 24 H MET 24 -11.404 -5.274 6.062 764 HA MET 24 HA MET 24 -9.780 -7.528 6.783 765 HB2 MET 24 2HB MET 24 -12.429 -7.407 5.330 766 HB3 MET 24 1HB MET 24 -11.686 -8.865 5.972 767 HG2 MET 24 2HG MET 24 -11.875 -7.999 8.230 768 HG3 MET 24 1HG MET 24 -12.553 -6.494 7.612 769 HE1 MET 24 1HE MET 24 -13.128 -10.349 8.122 770 HE2 MET 24 2HE MET 24 -13.237 -10.156 6.372 771 HE3 MET 24 3HE MET 24 -14.673 -10.584 7.305 772 H ASP 25 H ASP 25 -10.685 -5.886 3.838 773 HA ASP 25 HA ASP 25 -9.940 -7.847 1.969 774 HB2 ASP 25 2HB ASP 25 -11.316 -5.769 1.556 775 HB3 ASP 25 1HB ASP 25 -9.816 -4.852 1.581 776 H LEU 26 H LEU 26 -8.110 -5.168 3.403 777 HA LEU 26 HA LEU 26 -5.772 -5.491 1.874 778 HG LEU 26 HG LEU 26 -4.002 -3.872 2.427 779 HB2 LEU 26 2HB LEU 26 -6.424 -3.492 3.264 780 HB3 LEU 26 1HB LEU 26 -5.933 -4.397 4.683 781 HD11 LEU 26 1HD1 LEU 26 -4.573 -2.098 4.797 782 HD12 LEU 26 2HD1 LEU 26 -4.877 -1.710 3.103 783 HD13 LEU 26 3HD1 LEU 26 -3.222 -1.913 3.679 784 HD21 LEU 26 1HD2 LEU 26 -2.334 -4.119 4.192 785 HD22 LEU 26 2HD2 LEU 26 -3.361 -5.549 4.096 786 HD23 LEU 26 3HD2 LEU 26 -3.612 -4.366 5.380 787 H HIS 27 H HIS 27 -6.597 -6.755 5.118 788 HA HIS 27 HA HIS 27 -4.060 -7.959 5.502 789 HD1 HIS 27 1HD HIS 27 -5.942 -11.070 7.725 790 HD2 HIS 27 2HD HIS 27 -3.016 -8.169 8.302 791 HE1 HIS 27 1HE HIS 27 -4.173 -12.159 9.136 792 HE2 HIS 27 2HE HIS 27 -2.344 -10.435 9.366 793 HB2 HIS 27 2HB HIS 27 -5.664 -7.427 7.359 794 HB3 HIS 27 1HB HIS 27 -6.632 -8.807 6.845 795 H ASP 28 H ASP 28 -7.085 -9.126 4.156 796 HA ASP 28 HA ASP 28 -6.423 -11.843 3.928 797 HB2 ASP 28 2HB ASP 28 -8.691 -11.091 3.572 798 HB3 ASP 28 1HB ASP 28 -8.194 -10.093 2.210 799 H LEU 29 H LEU 29 -5.849 -9.106 1.756 800 HA LEU 29 HA LEU 29 -4.616 -10.578 -0.319 801 HG LEU 29 HG LEU 29 -2.499 -8.464 -1.108 802 HB2 LEU 29 2HB LEU 29 -5.477 -8.316 -0.634 803 HB3 LEU 29 1HB LEU 29 -4.276 -7.688 0.476 804 HD11 LEU 29 1HD1 LEU 29 -3.805 -10.177 -2.265 805 HD12 LEU 29 2HD1 LEU 29 -3.128 -9.003 -3.394 806 HD13 LEU 29 3HD1 LEU 29 -4.835 -8.924 -2.957 807 HD21 LEU 29 1HD2 LEU 29 -4.516 -6.523 -2.219 808 HD22 LEU 29 2HD2 LEU 29 -2.813 -6.630 -2.670 809 HD23 LEU 29 3HD2 LEU 29 -3.266 -6.147 -1.034 810 H ALA 30 H ALA 30 -3.304 -8.837 2.471 811 HA ALA 30 HA ALA 30 -0.579 -9.275 1.880 812 HB1 ALA 30 1HB ALA 30 -1.839 -8.805 4.577 813 HB2 ALA 30 2HB ALA 30 -1.386 -7.544 3.430 814 HB3 ALA 30 3HB ALA 30 -0.144 -8.569 4.149 815 H GLU 31 H GLU 31 -2.997 -11.253 3.375 816 HA GLU 31 HA GLU 31 -1.134 -13.123 4.525 817 HB2 GLU 31 2HB GLU 31 -3.504 -12.609 5.341 818 HB3 GLU 31 1HB GLU 31 -4.066 -13.584 3.988 819 HG2 GLU 31 2HG GLU 31 -2.828 -15.503 4.870 820 HG3 GLU 31 1HG GLU 31 -2.291 -14.517 6.231 821 H ASP 32 H ASP 32 -2.719 -12.628 1.508 822 HA ASP 32 HA ASP 32 -2.112 -15.342 0.591 823 HB2 ASP 32 2HB ASP 32 -4.395 -14.197 0.230 824 HB3 ASP 32 1HB ASP 32 -3.572 -13.245 -1.002 825 H LEU 33 H LEU 33 -0.174 -13.149 1.065 826 HA LEU 33 HA LEU 33 0.958 -11.991 -1.096 827 HG LEU 33 HG LEU 33 1.244 -10.734 1.363 828 HB2 LEU 33 2HB LEU 33 2.009 -13.026 1.445 829 HB3 LEU 33 1HB LEU 33 3.202 -12.715 0.194 830 HD11 LEU 33 1HD1 LEU 33 4.257 -10.862 1.418 831 HD12 LEU 33 2HD1 LEU 33 3.176 -11.192 2.771 832 HD13 LEU 33 3HD1 LEU 33 3.266 -9.568 2.090 833 HD21 LEU 33 1HD2 LEU 33 1.432 -10.299 -1.012 834 HD22 LEU 33 2HD2 LEU 33 3.188 -10.415 -0.930 835 HD23 LEU 33 3HD2 LEU 33 2.355 -9.087 -0.123 836 HA PRO 34 HA PRO 34 3.648 -13.142 -4.119 837 HB2 PRO 34 2HB PRO 34 3.773 -15.898 -2.930 838 HB3 PRO 34 1HB PRO 34 4.816 -15.195 -4.185 839 HG2 PRO 34 2HG PRO 34 5.287 -14.951 -1.437 840 HG3 PRO 34 1HG PRO 34 5.949 -13.873 -2.678 841 HD2 PRO 34 2HD PRO 34 4.159 -13.092 -0.638 842 HD3 PRO 34 1HD PRO 34 4.458 -12.177 -2.141 843 H THR 35 H THR 35 0.637 -13.746 -3.179 844 HA THR 35 HA THR 35 0.036 -14.112 -6.033 845 HB THR 35 HB THR 35 -2.276 -14.557 -4.364 846 HG1 THR 35 1HG THR 35 -0.816 -15.443 -2.868 847 HG21 THR 35 1HG2 THR 35 -2.141 -15.171 -6.716 848 HG22 THR 35 2HG2 THR 35 -2.448 -16.601 -5.730 849 HG23 THR 35 3HG2 THR 35 -0.831 -16.295 -6.365 850 H GLY 36 H GLY 36 -1.163 -12.474 -6.907 851 HA2 GLY 36 2HA GLY 36 -2.086 -10.381 -7.097 852 HA3 GLY 36 1HA GLY 36 -2.764 -10.650 -5.501 853 H TRP 37 H TRP 37 0.689 -10.680 -6.005 854 HA TRP 37 HA TRP 37 1.264 -8.754 -4.080 855 HD1 TRP 37 HD TRP 37 4.031 -7.087 -6.524 856 HE1 TRP 37 1HE TRP 37 5.989 -6.147 -5.145 857 HE3 TRP 37 3HE TRP 37 4.054 -10.497 -2.725 858 HZ2 TRP 37 2HZ TRP 37 7.359 -6.768 -2.762 859 HZ3 TRP 37 3HZ TRP 37 5.725 -10.257 -0.936 860 HH2 TRP 37 HH TRP 37 7.343 -8.431 -0.956 861 HB2 TRP 37 2HB TRP 37 2.894 -10.400 -4.881 862 HB3 TRP 37 1HB TRP 37 2.915 -9.637 -6.457 863 H ASN 38 H ASN 38 0.753 -8.400 -7.560 864 HA ASN 38 HA ASN 38 1.534 -5.693 -7.766 865 HB2 ASN 38 2HB ASN 38 1.216 -7.184 -9.716 866 HB3 ASN 38 1HB ASN 38 -0.519 -7.180 -9.421 867 HD21 ASN 38 1HD2 ASN 38 -1.110 -6.249 -11.316 868 HD22 ASN 38 2HD2 ASN 38 -0.729 -4.612 -11.736 869 H ARG 39 H ARG 39 -1.241 -7.169 -6.418 870 HA ARG 39 HA ARG 39 -3.046 -4.954 -6.763 871 HE ARG 39 HE ARG 39 -7.518 -5.759 -5.379 872 HB2 ARG 39 2HB ARG 39 -3.723 -7.367 -6.600 873 HB3 ARG 39 1HB ARG 39 -3.251 -7.337 -4.910 874 HG2 ARG 39 2HG ARG 39 -5.600 -7.121 -4.999 875 HG3 ARG 39 1HG ARG 39 -4.950 -5.542 -4.555 876 HD2 ARG 39 2HD ARG 39 -5.355 -4.656 -6.690 877 HD3 ARG 39 1HD ARG 39 -5.579 -6.255 -7.401 878 HH11 ARG 39 1HH1 ARG 39 -6.685 -4.975 -8.684 879 HH12 ARG 39 2HH1 ARG 39 -8.323 -4.684 -9.172 880 HH21 ARG 39 1HH2 ARG 39 -9.696 -5.375 -6.021 881 HH22 ARG 39 2HH2 ARG 39 -10.034 -4.933 -7.672 882 H ILE 40 H ILE 40 -0.511 -5.695 -4.645 883 HA ILE 40 HA ILE 40 -1.366 -4.879 -2.144 884 HB ILE 40 HB ILE 40 1.338 -4.791 -3.451 885 HG12 ILE 40 2HG1 ILE 40 0.168 -6.526 -1.262 886 HG13 ILE 40 1HG1 ILE 40 0.353 -6.989 -2.954 887 HG21 ILE 40 1HG2 ILE 40 2.357 -4.306 -1.301 888 HG22 ILE 40 2HG2 ILE 40 0.765 -4.166 -0.552 889 HG23 ILE 40 3HG2 ILE 40 1.273 -2.996 -1.770 890 HD11 ILE 40 1HD1 ILE 40 2.780 -6.753 -2.725 891 HD12 ILE 40 2HD1 ILE 40 2.111 -7.948 -1.615 892 HD13 ILE 40 3HD1 ILE 40 2.567 -6.350 -1.022 893 H MET 41 H MET 41 0.178 -2.845 -4.648 894 HA MET 41 HA MET 41 0.340 -0.500 -3.132 895 HB2 MET 41 2HB MET 41 1.570 -0.754 -5.208 896 HB3 MET 41 1HB MET 41 0.072 -0.861 -6.123 897 HG2 MET 41 2HG MET 41 0.970 1.314 -6.438 898 HG3 MET 41 1HG MET 41 -0.456 1.464 -5.414 899 HE1 MET 41 1HE MET 41 3.399 1.657 -5.682 900 HE2 MET 41 2HE MET 41 3.254 0.334 -4.525 901 HE3 MET 41 3HE MET 41 3.916 1.885 -4.012 902 H GLU 42 H GLU 42 -2.122 -1.461 -5.491 903 HA GLU 42 HA GLU 42 -3.738 0.784 -5.346 904 HB2 GLU 42 2HB GLU 42 -3.808 -1.148 -6.992 905 HB3 GLU 42 1HB GLU 42 -4.717 -2.034 -5.782 906 HG2 GLU 42 2HG GLU 42 -6.451 -0.310 -5.842 907 HG3 GLU 42 1HG GLU 42 -5.545 0.538 -7.095 908 H VAL 43 H VAL 43 -4.138 -2.302 -3.619 909 HA VAL 43 HA VAL 43 -6.401 -1.510 -2.140 910 HB VAL 43 HB VAL 43 -4.340 -3.609 -1.429 911 HG11 VAL 43 1HG1 VAL 43 -5.665 -3.000 0.508 912 HG12 VAL 43 2HG1 VAL 43 -6.138 -4.598 -0.072 913 HG13 VAL 43 3HG1 VAL 43 -7.153 -3.198 -0.418 914 HG21 VAL 43 1HG2 VAL 43 -5.953 -5.183 -2.421 915 HG22 VAL 43 2HG2 VAL 43 -5.332 -4.026 -3.598 916 HG23 VAL 43 3HG2 VAL 43 -6.950 -3.817 -2.926 917 H ALA 44 H ALA 44 -2.944 -1.496 -1.309 918 HA ALA 44 HA ALA 44 -3.257 -0.686 1.360 919 HB1 ALA 44 1HB ALA 44 -1.179 -1.638 0.501 920 HB2 ALA 44 2HB ALA 44 -0.900 -0.089 1.297 921 HB3 ALA 44 3HB ALA 44 -0.911 -0.186 -0.464 922 H GLU 45 H GLU 45 -2.861 1.209 -1.616 923 HA GLU 45 HA GLU 45 -2.590 3.714 -0.330 924 HB2 GLU 45 2HB GLU 45 -2.005 3.265 -2.714 925 HB3 GLU 45 1HB GLU 45 -3.722 3.169 -3.079 926 HG2 GLU 45 2HG GLU 45 -3.938 5.505 -2.195 927 HG3 GLU 45 1HG GLU 45 -2.182 5.562 -2.127 928 H LYS 46 H LYS 46 -5.419 2.149 -1.819 929 HA LYS 46 HA LYS 46 -7.162 4.289 -1.208 930 HB2 LYS 46 2HB LYS 46 -7.610 1.469 -2.107 931 HB3 LYS 46 1HB LYS 46 -8.960 2.525 -1.700 932 HG2 LYS 46 2HG LYS 46 -8.141 4.165 -3.339 933 HG3 LYS 46 1HG LYS 46 -6.853 3.046 -3.781 934 HD2 LYS 46 2HD LYS 46 -9.782 2.390 -3.959 935 HD3 LYS 46 1HD LYS 46 -8.829 3.030 -5.295 936 HE2 LYS 46 2HE LYS 46 -7.339 1.106 -5.164 937 HE3 LYS 46 1HE LYS 46 -8.273 0.466 -3.815 938 HZ1 LYS 46 1HZ LYS 46 -10.197 0.314 -5.285 939 HZ2 LYS 46 2HZ LYS 46 -8.900 -0.606 -5.866 940 HZ3 LYS 46 3HZ LYS 46 -9.265 0.887 -6.584 941 H THR 47 H THR 47 -6.335 1.340 0.548 942 HA THR 47 HA THR 47 -8.395 1.567 2.482 943 HB THR 47 HB THR 47 -5.662 0.310 2.834 944 HG1 THR 47 1HG THR 47 -6.672 -0.736 1.155 945 HG21 THR 47 1HG2 THR 47 -6.853 0.700 4.953 946 HG22 THR 47 2HG2 THR 47 -6.738 -1.020 4.579 947 HG23 THR 47 3HG2 THR 47 -8.257 -0.160 4.318 948 H TYR 48 H TYR 48 -5.043 2.743 2.391 949 HA TYR 48 HA TYR 48 -5.035 3.982 4.911 950 HD1 TYR 48 2HD TYR 48 -2.514 4.674 5.962 951 HD2 TYR 48 1HD TYR 48 -3.173 7.014 2.468 952 HE1 TYR 48 2HE TYR 48 -1.512 6.623 7.077 953 HE2 TYR 48 1HE TYR 48 -2.168 8.965 3.577 954 HH TYR 48 HH TYR 48 -0.427 8.722 6.489 955 HB2 TYR 48 2HB TYR 48 -2.962 3.637 3.694 956 HB3 TYR 48 1HB TYR 48 -3.517 4.676 2.386 957 H GLU 49 H GLU 49 -5.708 5.324 1.680 958 HA GLU 49 HA GLU 49 -6.335 7.912 2.495 959 HB2 GLU 49 2HB GLU 49 -7.148 6.272 0.114 960 HB3 GLU 49 1HB GLU 49 -7.675 7.931 0.321 961 HG2 GLU 49 2HG GLU 49 -4.794 7.085 0.296 962 HG3 GLU 49 1HG GLU 49 -5.670 7.651 -1.127 963 H ALA 50 H ALA 50 -8.390 5.036 2.288 964 HA ALA 50 HA ALA 50 -10.858 6.358 2.680 965 HB1 ALA 50 1HB ALA 50 -10.132 3.516 3.399 966 HB2 ALA 50 2HB ALA 50 -10.688 4.063 1.818 967 HB3 ALA 50 3HB ALA 50 -11.762 4.165 3.213 968 H TYR 51 H TYR 51 -8.719 4.704 5.019 969 HA TYR 51 HA TYR 51 -10.290 5.377 7.273 970 HD1 TYR 51 1HD TYR 51 -9.493 3.992 9.903 971 HD2 TYR 51 2HD TYR 51 -8.582 2.283 6.116 972 HE1 TYR 51 1HE TYR 51 -10.576 1.900 10.601 973 HE2 TYR 51 2HE TYR 51 -9.665 0.180 6.799 974 HH TYR 51 HH TYR 51 -11.642 -0.069 9.536 975 HB2 TYR 51 2HB TYR 51 -7.523 4.357 6.855 976 HB3 TYR 51 1HB TYR 51 -7.911 5.053 8.425 977 H ARG 52 H ARG 52 -7.637 6.973 5.631 978 HA ARG 52 HA ARG 52 -7.273 9.147 7.359 979 HE ARG 52 HE ARG 52 -6.108 13.022 4.020 980 HB2 ARG 52 2HB ARG 52 -5.710 8.821 5.603 981 HB3 ARG 52 1HB ARG 52 -6.969 8.829 4.378 982 HG2 ARG 52 2HG ARG 52 -7.380 11.230 4.946 983 HG3 ARG 52 1HG ARG 52 -5.941 11.161 5.965 984 HD2 ARG 52 2HD ARG 52 -4.556 10.633 4.088 985 HD3 ARG 52 1HD ARG 52 -5.964 10.451 3.041 986 HH11 ARG 52 1HH1 ARG 52 -3.879 11.114 2.101 987 HH12 ARG 52 2HH1 ARG 52 -3.188 12.491 1.295 988 HH21 ARG 52 1HH2 ARG 52 -5.262 14.828 2.904 989 HH22 ARG 52 2HH2 ARG 52 -3.992 14.606 1.730 990 H GLN 53 H GLN 53 -9.354 8.847 4.489 991 HA GLN 53 HA GLN 53 -10.598 11.354 4.736 992 HB2 GLN 53 2HB GLN 53 -11.354 8.802 3.342 993 HB3 GLN 53 1HB GLN 53 -12.430 10.188 3.331 994 HG2 GLN 53 2HG GLN 53 -10.589 11.538 2.350 995 HG3 GLN 53 1HG GLN 53 -9.626 10.064 2.251 996 HE21 GLN 53 1HE2 GLN 53 -12.417 11.754 1.042 997 HE22 GLN 53 2HE2 GLN 53 -12.625 10.799 -0.389 998 H LEU 54 H LEU 54 -11.302 8.255 6.206 999 HA LEU 54 HA LEU 54 -13.867 8.838 7.190 1000 HG LEU 54 HG LEU 54 -13.626 7.440 9.961 1001 HB2 LEU 54 2HB LEU 54 -12.842 6.588 7.171 1002 HB3 LEU 54 1HB LEU 54 -11.721 7.101 8.416 1003 HD11 LEU 54 1HD1 LEU 54 -15.816 6.525 9.368 1004 HD12 LEU 54 2HD1 LEU 54 -15.246 6.231 7.725 1005 HD13 LEU 54 3HD1 LEU 54 -15.372 7.882 8.333 1006 HD21 LEU 54 1HD2 LEU 54 -12.391 5.349 9.986 1007 HD22 LEU 54 2HD2 LEU 54 -13.438 4.696 8.725 1008 HD23 LEU 54 3HD2 LEU 54 -14.100 5.064 10.318 1009 H ASP 55 H ASP 55 -10.656 9.269 8.656 1010 HA ASP 55 HA ASP 55 -11.611 10.519 11.024 1011 HB2 ASP 55 2HB ASP 55 -9.409 9.507 10.998 1012 HB3 ASP 55 1HB ASP 55 -8.890 10.571 9.695 1013 H GLU 56 H GLU 56 -10.379 11.778 7.937 1014 HA GLU 56 HA GLU 56 -10.538 14.505 8.665 1015 HB2 GLU 56 2HB GLU 56 -10.408 13.086 6.023 1016 HB3 GLU 56 1HB GLU 56 -10.606 14.830 6.098 1017 HG2 GLU 56 2HG GLU 56 -8.533 14.842 7.579 1018 HG3 GLU 56 1HG GLU 56 -8.298 13.173 7.067 1019 H PHE 57 H PHE 57 -12.910 12.257 7.446 1020 HA PHE 57 HA PHE 57 -14.906 14.224 6.880 1021 HD1 PHE 57 1HD PHE 57 -16.448 13.512 4.796 1022 HD2 PHE 57 2HD PHE 57 -17.575 11.221 8.203 1023 HE1 PHE 57 1HE PHE 57 -18.817 13.844 4.233 1024 HE2 PHE 57 2HE PHE 57 -19.946 11.548 7.644 1025 HZ PHE 57 HZ PHE 57 -20.569 12.861 5.655 1026 HB2 PHE 57 2HB PHE 57 -14.888 11.873 5.958 1027 HB3 PHE 57 1HB PHE 57 -15.337 11.305 7.561 1028 H ARG 58 H ARG 58 -14.113 12.163 9.636 1029 HA ARG 58 HA ARG 58 -16.214 12.984 11.306 1030 HE ARG 58 HE ARG 58 -14.325 11.029 14.586 1031 HB2 ARG 58 2HB ARG 58 -13.531 11.739 11.759 1032 HB3 ARG 58 1HB ARG 58 -14.491 12.266 13.126 1033 HG2 ARG 58 2HG ARG 58 -16.363 10.850 12.231 1034 HG3 ARG 58 1HG ARG 58 -15.209 10.200 11.067 1035 HD2 ARG 58 2HD ARG 58 -15.482 8.772 13.066 1036 HD3 ARG 58 1HD ARG 58 -13.828 9.344 12.846 1037 HH11 ARG 58 1HH1 ARG 58 -16.369 8.180 14.408 1038 HH12 ARG 58 2HH1 ARG 58 -16.766 8.225 16.103 1039 HH21 ARG 58 1HH2 ARG 58 -14.874 11.089 16.777 1040 HH22 ARG 58 2HH2 ARG 58 -15.948 9.894 17.435 1041 H LYS 59 H LYS 59 -12.932 14.233 10.835 1042 HA LYS 59 HA LYS 59 -12.939 16.344 12.646 1043 HB2 LYS 59 2HB LYS 59 -11.771 16.092 9.877 1044 HB3 LYS 59 1HB LYS 59 -11.533 17.528 10.857 1045 HG2 LYS 59 2HG LYS 59 -10.791 14.803 11.854 1046 HG3 LYS 59 1HG LYS 59 -9.697 15.767 10.858 1047 HD2 LYS 59 2HD LYS 59 -10.062 17.631 12.561 1048 HD3 LYS 59 1HD LYS 59 -10.784 16.391 13.592 1049 HE2 LYS 59 2HE LYS 59 -8.741 15.125 13.586 1050 HE3 LYS 59 1HE LYS 59 -8.019 16.217 12.404 1051 HZ1 LYS 59 1HZ LYS 59 -7.154 16.844 14.474 1052 HZ2 LYS 59 2HZ LYS 59 -8.663 16.765 15.242 1053 HZ3 LYS 59 3HZ LYS 59 -8.340 18.009 14.133 1054 H SER 60 H SER 60 -14.087 16.278 9.302 1055 HA SER 60 HA SER 60 -14.903 18.935 9.121 1056 HG SER 60 HG SER 60 -15.950 18.558 6.059 1057 HB2 SER 60 2HB SER 60 -14.587 17.407 7.189 1058 HB3 SER 60 1HB SER 60 -16.058 16.556 7.655 1059 H THR 61 H THR 61 -16.884 16.049 9.788 1060 HA THR 61 HA THR 61 -19.274 17.543 10.037 1061 HB THR 61 HB THR 61 -19.332 15.153 9.475 1062 HG1 THR 61 1HG THR 61 -20.755 16.209 11.650 1063 HG21 THR 61 1HG2 THR 61 -17.531 14.373 10.945 1064 HG22 THR 61 2HG2 THR 61 -19.014 13.453 11.202 1065 HG23 THR 61 3HG2 THR 61 -18.535 14.700 12.355 1066 H ALA 62 H ALA 62 -16.723 16.924 12.277 1067 HA ALA 62 HA ALA 62 -18.297 17.523 14.608 1068 HB1 ALA 62 1HB ALA 62 -16.265 16.167 14.790 1069 HB2 ALA 62 2HB ALA 62 -16.167 17.612 15.794 1070 HB3 ALA 62 3HB ALA 62 -15.298 17.546 14.261 1071 H SER 63 H SER 63 -15.985 19.282 12.587 1072 HA SER 63 HA SER 63 -16.117 21.700 14.053 1073 HG SER 63 HG SER 63 -14.045 20.762 13.503 1074 HB2 SER 63 2HB SER 63 -15.387 21.318 11.139 1075 HB3 SER 63 1HB SER 63 -14.976 22.704 12.150 1076 H LEU 64 H LEU 64 -17.843 20.486 11.229 1077 HA LEU 64 HA LEU 64 -19.238 22.958 10.797 1078 HG LEU 64 HG LEU 64 -19.019 21.523 7.447 1079 HB2 LEU 64 2HB LEU 64 -19.313 20.245 9.549 1080 HB3 LEU 64 1HB LEU 64 -20.606 21.382 9.227 1081 HD11 LEU 64 1HD1 LEU 64 -18.726 23.891 9.281 1082 HD12 LEU 64 2HD1 LEU 64 -20.041 23.609 8.141 1083 HD13 LEU 64 3HD1 LEU 64 -18.403 23.882 7.547 1084 HD21 LEU 64 1HD2 LEU 64 -16.925 22.049 9.552 1085 HD22 LEU 64 2HD2 LEU 64 -16.678 22.181 7.810 1086 HD23 LEU 64 3HD2 LEU 64 -17.052 20.617 8.532 1087 H GLU 65 H GLU 65 -19.770 20.236 12.810 1088 HA GLU 65 HA GLU 65 -22.613 20.609 13.053 1089 HB2 GLU 65 2HB GLU 65 -21.359 18.474 13.593 1090 HB3 GLU 65 1HB GLU 65 -20.777 19.271 15.041 1091 HG2 GLU 65 2HG GLU 65 -23.051 19.537 15.846 1092 HG3 GLU 65 1HG GLU 65 -23.676 18.791 14.379 1093 H HIS 66 H HIS 66 -19.946 22.289 14.010 1094 HA HIS 66 HA HIS 66 -19.602 24.152 15.294 1095 HD1 HIS 66 1HD HIS 66 -20.600 27.068 15.293 1096 HD2 HIS 66 2HD HIS 66 -22.610 25.155 18.393 1097 HE1 HIS 66 1HE HIS 66 -20.746 28.755 17.155 1098 HE2 HIS 66 2HE HIS 66 -22.195 27.657 18.902 1099 HB2 HIS 66 2HB HIS 66 -21.866 24.869 14.625 1100 HB3 HIS 66 1HB HIS 66 -22.562 23.918 15.926 1101 H HIS 67 H HIS 67 -20.123 21.183 16.242 1102 HA HIS 67 HA HIS 67 -20.543 21.503 19.080 1103 HD1 HIS 67 1HD HIS 67 -22.202 17.389 18.622 1104 HD2 HIS 67 2HD HIS 67 -19.998 19.905 21.094 1105 HE1 HIS 67 1HE HIS 67 -22.616 16.568 20.968 1106 HE2 HIS 67 2HE HIS 67 -21.141 17.997 22.434 1107 HB2 HIS 67 2HB HIS 67 -21.400 19.622 17.512 1108 HB3 HIS 67 1HB HIS 67 -19.785 18.951 17.680 1109 H HIS 68 H HIS 68 -18.327 22.901 18.621 1110 HA HIS 68 HA HIS 68 -15.979 21.262 18.940 1111 HD1 HIS 68 1HD HIS 68 -17.222 25.088 17.147 1112 HD2 HIS 68 2HD HIS 68 -16.193 25.222 21.178 1113 HE1 HIS 68 1HE HIS 68 -18.214 27.222 18.032 1114 HE2 HIS 68 2HE HIS 68 -17.348 27.400 20.390 1115 HB2 HIS 68 2HB HIS 68 -14.797 23.458 19.340 1116 HB3 HIS 68 1HB HIS 68 -15.591 23.299 17.781 1117 H HIS 69 H HIS 69 -17.574 20.381 20.748 1118 HA HIS 69 HA HIS 69 -16.326 21.127 23.282 1119 HD1 HIS 69 1HD HIS 69 -17.938 23.019 25.541 1120 HD2 HIS 69 2HD HIS 69 -19.177 23.513 21.604 1121 HE1 HIS 69 1HE HIS 69 -18.228 25.499 25.226 1122 HE2 HIS 69 2HE HIS 69 -19.251 25.732 22.933 1123 HB2 HIS 69 2HB HIS 69 -19.317 20.949 22.832 1124 HB3 HIS 69 1HB HIS 69 -18.577 20.856 24.422 1125 H HIS 70 H HIS 70 -15.854 19.330 24.484 1126 HA HIS 70 HA HIS 70 -16.842 16.760 23.436 1127 HD1 HIS 70 1HD HIS 70 -13.587 15.582 22.330 1128 HD2 HIS 70 2HD HIS 70 -15.700 14.151 25.621 1129 HE1 HIS 70 1HE HIS 70 -13.486 13.075 22.167 1130 HE2 HIS 70 2HE HIS 70 -14.627 12.231 24.248 1131 HB2 HIS 70 2HB HIS 70 -14.296 17.406 23.839 1132 HB3 HIS 70 1HB HIS 70 -14.674 16.938 25.493 1133 H HIS 71 H HIS 71 -17.683 18.977 25.576 1134 HA HIS 71 HA HIS 71 -18.896 17.048 27.413 1135 HD1 HIS 71 1HD HIS 71 -17.456 16.677 30.443 1136 HD2 HIS 71 2HD HIS 71 -19.891 20.022 29.996 1137 HE1 HIS 71 1HE HIS 71 -18.806 16.826 32.562 1138 HE2 HIS 71 2HE HIS 71 -20.101 18.979 32.356 1139 HB2 HIS 71 2HB HIS 71 -16.848 18.065 28.448 1140 HB3 HIS 71 1HB HIS 71 -17.603 19.646 28.284 Start of MODEL 8 1 HA MET 1 HA MET 1 30.671 0.649 -20.240 2 H1 MET 1 1H MET 1 29.261 0.832 -17.643 3 H2 MET 1 2H MET 1 28.635 0.228 -19.101 4 H3 MET 1 3H MET 1 29.010 1.875 -18.956 5 HB2 MET 1 2HB MET 1 31.182 2.672 -18.752 6 HB3 MET 1 1HB MET 1 31.814 1.526 -17.582 7 HG2 MET 1 2HG MET 1 32.825 1.759 -20.402 8 HG3 MET 1 1HG MET 1 33.513 2.632 -19.038 9 HE1 MET 1 1HE MET 1 36.266 -0.031 -19.724 10 HE2 MET 1 2HE MET 1 35.895 1.682 -19.529 11 HE3 MET 1 3HE MET 1 35.278 0.799 -20.926 12 H SER 2 H SER 2 30.709 -1.509 -20.498 13 HA SER 2 HA SER 2 31.047 -3.717 -20.145 14 HG SER 2 HG SER 2 33.521 -4.878 -17.847 15 HB2 SER 2 2HB SER 2 33.295 -2.929 -19.345 16 HB3 SER 2 1HB SER 2 32.650 -2.901 -17.707 17 H GLU 3 H GLU 3 30.479 -5.528 -18.640 18 HA GLU 3 HA GLU 3 28.959 -4.898 -16.294 19 HB2 GLU 3 2HB GLU 3 27.418 -4.301 -18.164 20 HB3 GLU 3 1HB GLU 3 27.447 -5.978 -18.673 21 HG2 GLU 3 2HG GLU 3 26.261 -6.685 -16.802 22 HG3 GLU 3 1HG GLU 3 26.619 -5.209 -15.903 23 H GLY 4 H GLY 4 29.313 -6.482 -14.962 24 HA2 GLY 4 2HA GLY 4 29.964 -9.133 -16.087 25 HA3 GLY 4 1HA GLY 4 30.899 -8.404 -14.791 26 H ALA 5 H ALA 5 29.668 -10.931 -14.710 27 HA ALA 5 HA ALA 5 27.143 -10.951 -13.481 28 HB1 ALA 5 1HB ALA 5 29.329 -13.012 -13.273 29 HB2 ALA 5 2HB ALA 5 28.137 -12.904 -14.568 30 HB3 ALA 5 3HB ALA 5 27.619 -13.262 -12.920 31 H GLU 6 H GLU 6 30.303 -10.349 -12.141 32 HA GLU 6 HA GLU 6 29.713 -11.097 -9.477 33 HB2 GLU 6 2HB GLU 6 31.745 -9.128 -10.538 34 HB3 GLU 6 1HB GLU 6 31.681 -9.704 -8.878 35 HG2 GLU 6 2HG GLU 6 31.924 -12.025 -9.801 36 HG3 GLU 6 1HG GLU 6 32.290 -11.278 -11.353 37 H GLU 7 H GLU 7 29.909 -7.873 -10.944 38 HA GLU 7 HA GLU 7 28.829 -6.445 -8.776 39 HB2 GLU 7 2HB GLU 7 30.035 -5.457 -10.725 40 HB3 GLU 7 1HB GLU 7 28.629 -5.778 -11.719 41 HG2 GLU 7 2HG GLU 7 28.667 -3.462 -11.065 42 HG3 GLU 7 1HG GLU 7 27.298 -4.277 -10.314 43 H LEU 8 H LEU 8 27.383 -8.017 -11.538 44 HA LEU 8 HA LEU 8 24.753 -7.139 -11.287 45 HG LEU 8 HG LEU 8 23.599 -9.985 -11.853 46 HB2 LEU 8 2HB LEU 8 25.514 -8.201 -13.281 47 HB3 LEU 8 1HB LEU 8 26.019 -9.631 -12.406 48 HD11 LEU 8 1HD1 LEU 8 23.226 -7.982 -14.068 49 HD12 LEU 8 2HD1 LEU 8 22.792 -7.747 -12.375 50 HD13 LEU 8 3HD1 LEU 8 21.956 -8.964 -13.338 51 HD21 LEU 8 1HD2 LEU 8 24.462 -10.125 -14.735 52 HD22 LEU 8 2HD2 LEU 8 23.132 -11.037 -14.019 53 HD23 LEU 8 3HD2 LEU 8 24.788 -11.330 -13.488 54 H LYS 9 H LYS 9 26.331 -10.074 -10.074 55 HA LYS 9 HA LYS 9 24.018 -11.099 -8.781 56 HB2 LYS 9 2HB LYS 9 26.229 -12.253 -9.599 57 HB3 LYS 9 1HB LYS 9 26.798 -11.861 -7.985 58 HG2 LYS 9 2HG LYS 9 25.170 -13.231 -6.970 59 HG3 LYS 9 1HG LYS 9 24.270 -13.398 -8.483 60 HD2 LYS 9 2HD LYS 9 26.214 -14.574 -9.465 61 HD3 LYS 9 1HD LYS 9 27.032 -14.478 -7.905 62 HE2 LYS 9 2HE LYS 9 25.341 -15.845 -6.881 63 HE3 LYS 9 1HE LYS 9 24.380 -15.834 -8.361 64 HZ1 LYS 9 1HZ LYS 9 27.112 -16.987 -8.142 65 HZ2 LYS 9 2HZ LYS 9 26.070 -17.090 -9.480 66 HZ3 LYS 9 3HZ LYS 9 25.681 -17.888 -8.036 67 H ALA 10 H ALA 10 26.770 -9.177 -7.700 68 HA ALA 10 HA ALA 10 26.190 -9.278 -4.933 69 HB1 ALA 10 1HB ALA 10 27.682 -7.364 -4.727 70 HB2 ALA 10 2HB ALA 10 27.643 -7.130 -6.474 71 HB3 ALA 10 3HB ALA 10 28.374 -8.585 -5.796 72 H LYS 11 H LYS 11 25.226 -7.052 -7.508 73 HA LYS 11 HA LYS 11 23.780 -5.292 -5.794 74 HB2 LYS 11 2HB LYS 11 24.659 -4.792 -8.136 75 HB3 LYS 11 1HB LYS 11 23.281 -5.696 -8.742 76 HG2 LYS 11 2HG LYS 11 21.747 -4.140 -7.790 77 HG3 LYS 11 1HG LYS 11 23.045 -3.310 -6.928 78 HD2 LYS 11 2HD LYS 11 24.043 -2.675 -9.082 79 HD3 LYS 11 1HD LYS 11 22.708 -3.467 -9.922 80 HE2 LYS 11 2HE LYS 11 21.127 -1.930 -8.909 81 HE3 LYS 11 1HE LYS 11 22.422 -1.178 -7.980 82 HZ1 LYS 11 1HZ LYS 11 23.424 -0.409 -10.017 83 HZ2 LYS 11 2HZ LYS 11 21.814 0.108 -9.952 84 HZ3 LYS 11 3HZ LYS 11 22.247 -1.196 -10.947 85 H LEU 12 H LEU 12 22.902 -8.043 -7.830 86 HA LEU 12 HA LEU 12 20.151 -8.068 -7.352 87 HG LEU 12 HG LEU 12 19.760 -11.158 -6.970 88 HB2 LEU 12 2HB LEU 12 21.254 -9.503 -9.014 89 HB3 LEU 12 1HB LEU 12 22.000 -10.427 -7.724 90 HD11 LEU 12 1HD1 LEU 12 17.815 -10.771 -8.381 91 HD12 LEU 12 2HD1 LEU 12 18.776 -9.748 -9.448 92 HD13 LEU 12 3HD1 LEU 12 18.472 -9.248 -7.784 93 HD21 LEU 12 1HD2 LEU 12 21.061 -12.543 -8.496 94 HD22 LEU 12 2HD2 LEU 12 20.348 -11.707 -9.876 95 HD23 LEU 12 3HD2 LEU 12 19.333 -12.691 -8.819 96 H LYS 13 H LYS 13 22.802 -9.549 -5.535 97 HA LYS 13 HA LYS 13 21.424 -10.747 -3.458 98 HB2 LYS 13 2HB LYS 13 23.832 -10.925 -3.709 99 HB3 LYS 13 1HB LYS 13 24.025 -9.210 -3.404 100 HG2 LYS 13 2HG LYS 13 24.665 -10.319 -1.428 101 HG3 LYS 13 1HG LYS 13 23.080 -9.615 -1.112 102 HD2 LYS 13 2HD LYS 13 22.029 -11.783 -1.499 103 HD3 LYS 13 1HD LYS 13 23.608 -12.492 -1.857 104 HE2 LYS 13 2HE LYS 13 24.341 -11.818 0.430 105 HE3 LYS 13 1HE LYS 13 22.684 -11.320 0.761 106 HZ1 LYS 13 1HZ LYS 13 23.206 -13.559 1.578 107 HZ2 LYS 13 2HZ LYS 13 23.491 -14.074 -0.011 108 HZ3 LYS 13 3HZ LYS 13 21.941 -13.567 0.455 109 H LYS 14 H LYS 14 22.662 -7.426 -3.583 110 HA LYS 14 HA LYS 14 21.665 -6.487 -1.195 111 HB2 LYS 14 2HB LYS 14 23.286 -5.293 -2.588 112 HB3 LYS 14 1HB LYS 14 22.039 -4.987 -3.790 113 HG2 LYS 14 2HG LYS 14 22.454 -3.028 -2.412 114 HG3 LYS 14 1HG LYS 14 20.810 -3.630 -2.190 115 HD2 LYS 14 2HD LYS 14 21.688 -3.089 -0.042 116 HD3 LYS 14 1HD LYS 14 21.597 -4.839 -0.158 117 HE2 LYS 14 2HE LYS 14 23.678 -4.167 0.886 118 HE3 LYS 14 1HE LYS 14 23.993 -4.915 -0.677 119 HZ1 LYS 14 1HZ LYS 14 25.286 -2.858 -0.198 120 HZ2 LYS 14 2HZ LYS 14 23.838 -1.980 -0.281 121 HZ3 LYS 14 3HZ LYS 14 24.407 -2.813 -1.647 122 H LEU 15 H LEU 15 20.139 -6.222 -4.420 123 HA LEU 15 HA LEU 15 17.794 -4.953 -3.509 124 HG LEU 15 HG LEU 15 17.718 -4.379 -7.127 125 HB2 LEU 15 2HB LEU 15 18.589 -6.384 -5.992 126 HB3 LEU 15 1HB LEU 15 16.876 -6.141 -5.716 127 HD11 LEU 15 1HD1 LEU 15 15.974 -3.791 -5.534 128 HD12 LEU 15 2HD1 LEU 15 17.051 -2.428 -5.835 129 HD13 LEU 15 3HD1 LEU 15 17.199 -3.355 -4.343 130 HD21 LEU 15 1HD2 LEU 15 20.069 -4.459 -6.463 131 HD22 LEU 15 2HD2 LEU 15 19.654 -3.737 -4.908 132 HD23 LEU 15 3HD2 LEU 15 19.431 -2.816 -6.396 133 H ASN 16 H ASN 16 18.635 -8.341 -3.871 134 HA ASN 16 HA ASN 16 16.060 -9.419 -3.496 135 HB2 ASN 16 2HB ASN 16 18.010 -10.667 -4.409 136 HB3 ASN 16 1HB ASN 16 18.723 -10.673 -2.798 137 HD21 ASN 16 1HD2 ASN 16 16.212 -11.943 -4.828 138 HD22 ASN 16 2HD2 ASN 16 15.753 -13.240 -3.786 139 H ALA 17 H ALA 17 18.709 -8.839 -1.194 140 HA ALA 17 HA ALA 17 17.265 -9.720 1.088 141 HB1 ALA 17 1HB ALA 17 19.038 -8.651 2.382 142 HB2 ALA 17 2HB ALA 17 19.623 -7.844 0.926 143 HB3 ALA 17 3HB ALA 17 19.706 -9.601 1.052 144 H GLN 18 H GLN 18 17.689 -6.591 -0.466 145 HA GLN 18 HA GLN 18 16.473 -4.988 1.498 146 HB2 GLN 18 2HB GLN 18 17.797 -4.098 -0.389 147 HB3 GLN 18 1HB GLN 18 16.525 -4.583 -1.500 148 HG2 GLN 18 2HG GLN 18 14.986 -3.031 -0.447 149 HG3 GLN 18 1HG GLN 18 16.227 -2.570 0.717 150 HE21 GLN 18 1HE2 GLN 18 18.335 -2.702 -1.329 151 HE22 GLN 18 2HE2 GLN 18 18.145 -1.278 -2.287 152 H ALA 19 H ALA 19 15.121 -6.584 -1.375 153 HA ALA 19 HA ALA 19 12.495 -5.693 -1.157 154 HB1 ALA 19 1HB ALA 19 11.884 -7.630 -2.501 155 HB2 ALA 19 2HB ALA 19 13.452 -8.366 -2.165 156 HB3 ALA 19 3HB ALA 19 13.359 -6.878 -3.108 157 H THR 20 H THR 20 14.052 -8.508 0.339 158 HA THR 20 HA THR 20 11.755 -9.533 1.604 159 HB THR 20 HB THR 20 14.641 -9.749 2.481 160 HG1 THR 20 1HG THR 20 13.071 -11.043 0.537 161 HG21 THR 20 1HG2 THR 20 12.252 -11.486 3.136 162 HG22 THR 20 2HG2 THR 20 13.078 -10.401 4.254 163 HG23 THR 20 3HG2 THR 20 13.921 -11.809 3.610 164 H ALA 21 H ALA 21 14.139 -7.126 2.609 165 HA ALA 21 HA ALA 21 13.288 -6.829 5.277 166 HB1 ALA 21 1HB ALA 21 14.473 -4.689 5.221 167 HB2 ALA 21 2HB ALA 21 14.592 -4.803 3.465 168 HB3 ALA 21 3HB ALA 21 15.430 -5.975 4.483 169 H LEU 22 H LEU 22 12.199 -5.324 2.276 170 HA LEU 22 HA LEU 22 10.318 -3.635 3.656 171 HG LEU 22 HG LEU 22 11.052 -1.668 0.667 172 HB2 LEU 22 2HB LEU 22 10.930 -4.161 0.773 173 HB3 LEU 22 1HB LEU 22 9.455 -3.328 1.217 174 HD11 LEU 22 1HD1 LEU 22 9.675 -1.171 2.610 175 HD12 LEU 22 2HD1 LEU 22 11.266 -0.421 2.746 176 HD13 LEU 22 3HD1 LEU 22 10.897 -1.880 3.667 177 HD21 LEU 22 1HD2 LEU 22 13.238 -1.485 1.740 178 HD22 LEU 22 2HD2 LEU 22 13.079 -2.996 0.843 179 HD23 LEU 22 3HD2 LEU 22 12.942 -2.996 2.601 180 H LYS 23 H LYS 23 10.282 -6.775 2.139 181 HA LYS 23 HA LYS 23 7.500 -7.058 1.831 182 HB2 LYS 23 2HB LYS 23 9.548 -8.576 1.084 183 HB3 LYS 23 1HB LYS 23 9.163 -9.428 2.573 184 HG2 LYS 23 2HG LYS 23 7.049 -8.845 0.532 185 HG3 LYS 23 1HG LYS 23 8.114 -10.239 0.373 186 HD2 LYS 23 2HD LYS 23 6.644 -9.774 2.934 187 HD3 LYS 23 1HD LYS 23 5.801 -10.481 1.555 188 HE2 LYS 23 2HE LYS 23 7.548 -12.228 1.434 189 HE3 LYS 23 1HE LYS 23 8.296 -11.545 2.877 190 HZ1 LYS 23 1HZ LYS 23 5.503 -12.549 2.784 191 HZ2 LYS 23 2HZ LYS 23 6.386 -12.094 4.158 192 HZ3 LYS 23 3HZ LYS 23 6.821 -13.483 3.293 193 H MET 24 H MET 24 9.652 -7.835 4.543 194 HA MET 24 HA MET 24 7.502 -8.720 6.213 195 HB2 MET 24 2HB MET 24 9.138 -8.816 8.004 196 HB3 MET 24 1HB MET 24 9.803 -9.528 6.543 197 HG2 MET 24 2HG MET 24 11.075 -7.492 6.126 198 HG3 MET 24 1HG MET 24 10.399 -6.764 7.582 199 HE1 MET 24 1HE MET 24 12.802 -6.221 8.530 200 HE2 MET 24 2HE MET 24 13.509 -6.885 7.058 201 HE3 MET 24 3HE MET 24 14.110 -7.402 8.634 202 H ASP 25 H ASP 25 8.971 -5.664 5.502 203 HA ASP 25 HA ASP 25 8.049 -4.237 7.781 204 HB2 ASP 25 2HB ASP 25 9.876 -3.454 6.254 205 HB3 ASP 25 1HB ASP 25 8.662 -3.157 5.016 206 H LEU 26 H LEU 26 6.836 -4.523 4.453 207 HA LEU 26 HA LEU 26 4.422 -3.134 4.857 208 HG LEU 26 HG LEU 26 2.656 -5.003 2.990 209 HB2 LEU 26 2HB LEU 26 5.304 -3.592 2.633 210 HB3 LEU 26 1HB LEU 26 5.106 -5.315 2.885 211 HD11 LEU 26 1HD1 LEU 26 2.575 -2.716 3.780 212 HD12 LEU 26 2HD1 LEU 26 1.684 -2.878 2.267 213 HD13 LEU 26 3HD1 LEU 26 3.290 -2.149 2.271 214 HD21 LEU 26 1HD2 LEU 26 3.722 -5.600 0.885 215 HD22 LEU 26 2HD2 LEU 26 3.956 -3.891 0.509 216 HD23 LEU 26 3HD2 LEU 26 2.326 -4.559 0.614 217 H HIS 27 H HIS 27 5.264 -6.553 5.123 218 HA HIS 27 HA HIS 27 2.697 -7.563 5.548 219 HD1 HIS 27 1HD HIS 27 4.773 -10.207 8.458 220 HD2 HIS 27 2HD HIS 27 2.038 -10.378 5.325 221 HE1 HIS 27 1HE HIS 27 3.208 -12.103 9.016 222 HE2 HIS 27 2HE HIS 27 1.640 -12.267 7.042 223 HB2 HIS 27 2HB HIS 27 4.642 -8.988 5.065 224 HB3 HIS 27 1HB HIS 27 5.321 -8.605 6.644 225 H ASP 28 H ASP 28 5.029 -6.183 7.798 226 HA ASP 28 HA ASP 28 3.608 -6.919 10.152 227 HB2 ASP 28 2HB ASP 28 6.058 -6.366 10.054 228 HB3 ASP 28 1HB ASP 28 5.614 -4.673 9.849 229 H LEU 29 H LEU 29 3.802 -3.953 8.224 230 HA LEU 29 HA LEU 29 2.078 -2.446 9.924 231 HG LEU 29 HG LEU 29 0.870 -0.610 7.743 232 HB2 LEU 29 2HB LEU 29 3.709 -1.391 8.419 233 HB3 LEU 29 1HB LEU 29 2.822 -1.992 7.031 234 HD11 LEU 29 1HD1 LEU 29 1.345 -0.412 10.103 235 HD12 LEU 29 2HD1 LEU 29 1.271 1.193 9.374 236 HD13 LEU 29 3HD1 LEU 29 2.833 0.470 9.759 237 HD21 LEU 29 1HD2 LEU 29 3.445 0.887 7.291 238 HD22 LEU 29 2HD2 LEU 29 1.818 1.510 7.011 239 HD23 LEU 29 3HD2 LEU 29 2.427 0.169 6.041 240 H ALA 30 H ALA 30 1.576 -4.507 7.125 241 HA ALA 30 HA ALA 30 -1.112 -3.756 6.627 242 HB1 ALA 30 1HB ALA 30 0.270 -4.933 4.972 243 HB2 ALA 30 2HB ALA 30 -1.247 -5.776 5.283 244 HB3 ALA 30 3HB ALA 30 0.254 -6.370 5.993 245 H GLU 31 H GLU 31 0.391 -5.947 8.877 246 HA GLU 31 HA GLU 31 -2.144 -7.106 9.669 247 HB2 GLU 31 2HB GLU 31 0.429 -8.020 9.767 248 HB3 GLU 31 1HB GLU 31 0.194 -7.476 11.422 249 HG2 GLU 31 2HG GLU 31 -1.558 -9.431 9.952 250 HG3 GLU 31 1HG GLU 31 -0.327 -9.845 11.142 251 H ASP 32 H ASP 32 0.296 -4.879 10.949 252 HA ASP 32 HA ASP 32 -1.400 -4.188 13.212 253 HB2 ASP 32 2HB ASP 32 1.156 -4.423 13.325 254 HB3 ASP 32 1HB ASP 32 1.221 -2.880 12.482 255 H LEU 33 H LEU 33 -2.997 -3.540 11.513 256 HA LEU 33 HA LEU 33 -2.531 -0.938 10.332 257 HG LEU 33 HG LEU 33 -2.712 -2.965 8.398 258 HB2 LEU 33 2HB LEU 33 -4.576 -3.069 9.974 259 HB3 LEU 33 1HB LEU 33 -5.028 -1.419 9.574 260 HD11 LEU 33 1HD1 LEU 33 -5.278 -2.003 7.142 261 HD12 LEU 33 2HD1 LEU 33 -4.904 -3.673 7.565 262 HD13 LEU 33 3HD1 LEU 33 -3.966 -2.846 6.320 263 HD21 LEU 33 1HD2 LEU 33 -2.443 -1.005 6.929 264 HD22 LEU 33 2HD2 LEU 33 -2.138 -0.616 8.622 265 HD23 LEU 33 3HD2 LEU 33 -3.663 -0.149 7.871 266 HA PRO 34 HA PRO 34 -3.992 2.433 11.459 267 HB2 PRO 34 2HB PRO 34 -6.334 1.513 13.101 268 HB3 PRO 34 1HB PRO 34 -6.053 3.090 12.346 269 HG2 PRO 34 2HG PRO 34 -7.442 0.981 11.160 270 HG3 PRO 34 1HG PRO 34 -6.737 2.359 10.298 271 HD2 PRO 34 2HD PRO 34 -5.957 -0.342 10.035 272 HD3 PRO 34 1HD PRO 34 -5.045 1.073 9.456 273 H THR 35 H THR 35 -2.513 2.974 12.578 274 HA THR 35 HA THR 35 -2.126 3.197 15.276 275 HB THR 35 HB THR 35 -0.080 1.468 15.283 276 HG1 THR 35 1HG THR 35 -0.520 -0.401 14.189 277 HG21 THR 35 1HG2 THR 35 -1.437 -0.118 16.563 278 HG22 THR 35 2HG2 THR 35 -2.903 0.667 15.974 279 HG23 THR 35 3HG2 THR 35 -1.788 1.553 17.014 280 H GLY 36 H GLY 36 -0.427 2.109 12.387 281 HA2 GLY 36 2HA GLY 36 1.025 4.678 12.304 282 HA3 GLY 36 1HA GLY 36 1.855 3.156 12.000 283 H TRP 37 H TRP 37 -1.409 3.847 10.977 284 HA TRP 37 HA TRP 37 -0.995 2.915 8.367 285 HD1 TRP 37 HD TRP 37 -3.467 3.893 11.757 286 HE1 TRP 37 1HE TRP 37 -4.654 6.061 12.471 287 HE3 TRP 37 3HE TRP 37 -3.788 6.161 7.190 288 HZ2 TRP 37 2HZ TRP 37 -5.582 8.434 11.250 289 HZ3 TRP 37 3HZ TRP 37 -4.832 8.385 7.050 290 HH2 TRP 37 HH TRP 37 -5.712 9.496 9.038 291 HB2 TRP 37 2HB TRP 37 -3.301 3.782 7.938 292 HB3 TRP 37 1HB TRP 37 -3.175 2.736 9.345 293 H ASN 38 H ASN 38 -0.325 5.959 9.707 294 HA ASN 38 HA ASN 38 -0.738 7.575 7.412 295 HB2 ASN 38 2HB ASN 38 -0.428 8.462 9.731 296 HB3 ASN 38 1HB ASN 38 1.265 7.992 9.643 297 HD21 ASN 38 1HD2 ASN 38 2.085 10.021 9.823 298 HD22 ASN 38 2HD2 ASN 38 1.899 11.240 8.600 299 H ARG 39 H ARG 39 1.590 5.221 8.275 300 HA ARG 39 HA ARG 39 3.577 6.256 6.387 301 HE ARG 39 HE ARG 39 8.216 4.598 7.135 302 HB2 ARG 39 2HB ARG 39 4.125 5.436 8.757 303 HB3 ARG 39 1HB ARG 39 3.885 3.814 8.121 304 HG2 ARG 39 2HG ARG 39 5.668 4.130 6.527 305 HG3 ARG 39 1HG ARG 39 5.853 5.812 7.026 306 HD2 ARG 39 2HD ARG 39 6.311 4.890 9.358 307 HD3 ARG 39 1HD ARG 39 6.494 3.320 8.575 308 HH11 ARG 39 1HH1 ARG 39 7.616 5.074 10.547 309 HH12 ARG 39 2HH1 ARG 39 9.175 5.762 10.869 310 HH21 ARG 39 1HH2 ARG 39 10.264 5.501 7.537 311 HH22 ARG 39 2HH2 ARG 39 10.687 6.021 9.141 312 H ILE 40 H ILE 40 0.900 4.515 6.083 313 HA ILE 40 HA ILE 40 1.595 2.127 4.814 314 HB ILE 40 HB ILE 40 -0.823 3.897 4.479 315 HG12 ILE 40 2HG1 ILE 40 -0.409 1.205 5.800 316 HG13 ILE 40 1HG1 ILE 40 -0.594 2.745 6.631 317 HG21 ILE 40 1HG2 ILE 40 -0.351 1.191 3.236 318 HG22 ILE 40 2HG2 ILE 40 -0.503 2.722 2.375 319 HG23 ILE 40 3HG2 ILE 40 -1.887 2.058 3.244 320 HD11 ILE 40 1HD1 ILE 40 -2.683 1.444 4.903 321 HD12 ILE 40 2HD1 ILE 40 -2.863 2.946 5.809 322 HD13 ILE 40 3HD1 ILE 40 -2.648 1.419 6.666 323 H MET 41 H MET 41 1.147 5.367 3.449 324 HA MET 41 HA MET 41 1.430 4.646 0.747 325 HB2 MET 41 2HB MET 41 0.534 6.828 1.601 326 HB3 MET 41 1HB MET 41 2.183 7.293 1.999 327 HG2 MET 41 2HG MET 41 1.585 8.294 -0.085 328 HG3 MET 41 1HG MET 41 2.783 7.038 -0.386 329 HE1 MET 41 1HE MET 41 -1.086 6.608 0.340 330 HE2 MET 41 2HE MET 41 -1.723 6.617 -1.306 331 HE3 MET 41 3HE MET 41 -0.978 8.069 -0.643 332 H GLU 42 H GLU 42 3.810 5.581 3.183 333 HA GLU 42 HA GLU 42 6.065 5.728 1.519 334 HB2 GLU 42 2HB GLU 42 6.038 6.490 3.870 335 HB3 GLU 42 1HB GLU 42 5.923 4.821 4.402 336 HG2 GLU 42 2HG GLU 42 8.099 4.425 3.161 337 HG3 GLU 42 1HG GLU 42 8.232 6.177 3.041 338 H VAL 43 H VAL 43 4.891 3.073 3.542 339 HA VAL 43 HA VAL 43 6.840 1.221 2.755 340 HB VAL 43 HB VAL 43 4.050 0.592 3.726 341 HG11 VAL 43 1HG1 VAL 43 5.079 -1.473 4.563 342 HG12 VAL 43 2HG1 VAL 43 6.601 -1.014 3.800 343 HG13 VAL 43 3HG1 VAL 43 5.182 -1.345 2.808 344 HG21 VAL 43 1HG2 VAL 43 6.582 1.064 5.303 345 HG22 VAL 43 2HG2 VAL 43 5.034 0.537 5.963 346 HG23 VAL 43 3HG2 VAL 43 5.182 2.137 5.238 347 H ALA 44 H ALA 44 3.622 1.886 1.441 348 HA ALA 44 HA ALA 44 3.529 -0.166 -0.463 349 HB1 ALA 44 1HB ALA 44 1.928 1.250 -1.659 350 HB2 ALA 44 2HB ALA 44 2.394 2.623 -0.651 351 HB3 ALA 44 3HB ALA 44 1.604 1.223 0.071 352 H GLU 45 H GLU 45 4.767 3.146 -0.715 353 HA GLU 45 HA GLU 45 5.689 3.018 -3.361 354 HB2 GLU 45 2HB GLU 45 5.479 5.092 -1.989 355 HB3 GLU 45 1HB GLU 45 6.896 4.588 -1.076 356 HG2 GLU 45 2HG GLU 45 8.133 4.557 -3.279 357 HG3 GLU 45 1HG GLU 45 6.732 5.379 -3.964 358 H LYS 46 H LYS 46 7.401 2.415 -0.306 359 HA LYS 46 HA LYS 46 9.933 1.882 -1.324 360 HB2 LYS 46 2HB LYS 46 8.567 0.770 1.112 361 HB3 LYS 46 1HB LYS 46 10.277 0.554 0.761 362 HG2 LYS 46 2HG LYS 46 10.540 3.010 0.765 363 HG3 LYS 46 1HG LYS 46 8.848 3.156 1.241 364 HD2 LYS 46 2HD LYS 46 11.009 1.738 2.789 365 HD3 LYS 46 1HD LYS 46 10.323 3.315 3.154 366 HE2 LYS 46 2HE LYS 46 8.123 2.278 3.474 367 HE3 LYS 46 1HE LYS 46 8.824 0.703 3.121 368 HZ1 LYS 46 1HZ LYS 46 10.368 1.201 5.069 369 HZ2 LYS 46 2HZ LYS 46 8.762 0.797 5.423 370 HZ3 LYS 46 3HZ LYS 46 9.259 2.420 5.480 371 H THR 47 H THR 47 7.300 -0.391 -0.614 372 HA THR 47 HA THR 47 8.754 -2.720 -1.243 373 HB THR 47 HB THR 47 5.751 -2.378 -1.310 374 HG1 THR 47 1HG THR 47 6.343 -1.722 0.699 375 HG21 THR 47 1HG2 THR 47 5.744 -4.760 -0.681 376 HG22 THR 47 2HG2 THR 47 7.504 -4.787 -0.797 377 HG23 THR 47 3HG2 THR 47 6.529 -4.501 -2.240 378 H TYR 48 H TYR 48 6.500 -0.743 -3.154 379 HA TYR 48 HA TYR 48 6.535 -2.480 -5.399 380 HD1 TYR 48 1HD TYR 48 4.820 -2.761 -6.920 381 HD2 TYR 48 2HD TYR 48 5.617 1.383 -7.456 382 HE1 TYR 48 1HE TYR 48 4.271 -2.971 -9.304 383 HE2 TYR 48 2HE TYR 48 5.057 1.188 -9.844 384 HH TYR 48 HH TYR 48 3.507 -1.555 -11.148 385 HB2 TYR 48 2HB TYR 48 4.720 -0.835 -4.983 386 HB3 TYR 48 1HB TYR 48 5.849 0.467 -5.344 387 H GLU 49 H GLU 49 8.373 0.416 -4.537 388 HA GLU 49 HA GLU 49 9.698 0.755 -6.994 389 HB2 GLU 49 2HB GLU 49 9.589 2.447 -5.185 390 HB3 GLU 49 1HB GLU 49 10.677 1.459 -4.221 391 HG2 GLU 49 2HG GLU 49 12.440 1.751 -5.837 392 HG3 GLU 49 1HG GLU 49 11.352 2.638 -6.903 393 H ALA 50 H ALA 50 10.694 -0.917 -4.032 394 HA ALA 50 HA ALA 50 13.208 -1.758 -5.010 395 HB1 ALA 50 1HB ALA 50 13.303 -3.191 -3.069 396 HB2 ALA 50 2HB ALA 50 11.565 -3.026 -2.822 397 HB3 ALA 50 3HB ALA 50 12.622 -1.630 -2.613 398 H TYR 51 H TYR 51 10.090 -3.494 -4.758 399 HA TYR 51 HA TYR 51 11.133 -5.896 -5.821 400 HD1 TYR 51 1HD TYR 51 9.912 -8.253 -5.696 401 HD2 TYR 51 2HD TYR 51 8.516 -5.389 -2.874 402 HE1 TYR 51 1HE TYR 51 10.194 -9.900 -3.896 403 HE2 TYR 51 2HE TYR 51 8.789 -7.036 -1.065 404 HH TYR 51 HH TYR 51 8.926 -9.414 -0.749 405 HB2 TYR 51 2HB TYR 51 8.433 -4.884 -5.167 406 HB3 TYR 51 1HB TYR 51 8.518 -6.190 -6.347 407 H ARG 52 H ARG 52 9.665 -3.074 -7.357 408 HA ARG 52 HA ARG 52 9.403 -4.222 -9.913 409 HE ARG 52 HE ARG 52 9.910 0.678 -13.077 410 HB2 ARG 52 2HB ARG 52 8.344 -2.106 -9.552 411 HB3 ARG 52 1HB ARG 52 9.873 -1.348 -9.109 412 HG2 ARG 52 2HG ARG 52 10.697 -1.561 -11.345 413 HG3 ARG 52 1HG ARG 52 9.293 -2.510 -11.821 414 HD2 ARG 52 2HD ARG 52 7.854 -0.593 -11.513 415 HD3 ARG 52 1HD ARG 52 9.215 0.363 -10.916 416 HH11 ARG 52 1HH1 ARG 52 7.483 -1.837 -13.029 417 HH12 ARG 52 2HH1 ARG 52 7.508 -2.084 -14.745 418 HH21 ARG 52 1HH2 ARG 52 9.922 0.395 -15.344 419 HH22 ARG 52 2HH2 ARG 52 8.868 -0.778 -16.069 420 H GLN 53 H GLN 53 12.074 -2.377 -8.460 421 HA GLN 53 HA GLN 53 13.751 -2.526 -10.733 422 HB2 GLN 53 2HB GLN 53 14.013 -0.937 -8.796 423 HB3 GLN 53 1HB GLN 53 14.629 -2.280 -7.845 424 HG2 GLN 53 2HG GLN 53 16.438 -0.925 -8.710 425 HG3 GLN 53 1HG GLN 53 16.485 -2.545 -9.403 426 HE21 GLN 53 1HE2 GLN 53 14.195 -0.104 -10.423 427 HE22 GLN 53 2HE2 GLN 53 14.869 0.140 -12.003 428 H LEU 54 H LEU 54 13.312 -4.636 -7.933 429 HA LEU 54 HA LEU 54 15.443 -6.395 -8.486 430 HG LEU 54 HG LEU 54 15.629 -8.185 -6.811 431 HB2 LEU 54 2HB LEU 54 14.002 -6.259 -6.381 432 HB3 LEU 54 1HB LEU 54 12.809 -7.200 -7.255 433 HD11 LEU 54 1HD1 LEU 54 14.607 -7.739 -4.644 434 HD12 LEU 54 2HD1 LEU 54 14.759 -9.471 -4.935 435 HD13 LEU 54 3HD1 LEU 54 13.192 -8.681 -5.111 436 HD21 LEU 54 1HD2 LEU 54 13.053 -9.634 -7.431 437 HD22 LEU 54 2HD2 LEU 54 14.636 -10.376 -7.203 438 HD23 LEU 54 3HD2 LEU 54 14.352 -9.311 -8.580 439 H ASP 55 H ASP 55 11.999 -6.547 -9.435 440 HA ASP 55 HA ASP 55 12.247 -8.945 -10.920 441 HB2 ASP 55 2HB ASP 55 10.091 -7.913 -10.077 442 HB3 ASP 55 1HB ASP 55 10.203 -6.775 -11.416 443 H GLU 56 H GLU 56 12.448 -5.545 -11.821 444 HA GLU 56 HA GLU 56 12.822 -5.912 -14.592 445 HB2 GLU 56 2HB GLU 56 13.537 -3.706 -12.677 446 HB3 GLU 56 1HB GLU 56 13.981 -3.608 -14.367 447 HG2 GLU 56 2HG GLU 56 11.195 -3.820 -13.248 448 HG3 GLU 56 1HG GLU 56 11.937 -2.396 -13.971 449 H PHE 57 H PHE 57 15.074 -5.863 -11.880 450 HA PHE 57 HA PHE 57 17.449 -5.969 -13.443 451 HD1 PHE 57 1HD PHE 57 19.037 -4.374 -12.483 452 HD2 PHE 57 2HD PHE 57 19.281 -7.881 -10.086 453 HE1 PHE 57 1HE PHE 57 21.486 -4.153 -12.420 454 HE2 PHE 57 2HE PHE 57 21.730 -7.666 -10.020 455 HZ PHE 57 HZ PHE 57 22.837 -5.802 -11.188 456 HB2 PHE 57 2HB PHE 57 17.088 -5.336 -10.943 457 HB3 PHE 57 1HB PHE 57 17.215 -7.065 -10.656 458 H ARG 58 H ARG 58 15.327 -8.375 -11.997 459 HA ARG 58 HA ARG 58 16.843 -10.655 -12.753 460 HE ARG 58 HE ARG 58 14.543 -13.770 -10.683 461 HB2 ARG 58 2HB ARG 58 15.268 -11.065 -11.078 462 HB3 ARG 58 1HB ARG 58 14.013 -10.144 -11.892 463 HG2 ARG 58 2HG ARG 58 13.877 -11.934 -13.600 464 HG3 ARG 58 1HG ARG 58 15.030 -12.871 -12.645 465 HD2 ARG 58 2HD ARG 58 12.624 -11.803 -11.280 466 HD3 ARG 58 1HD ARG 58 12.413 -13.156 -12.382 467 HH11 ARG 58 1HH1 ARG 58 11.087 -13.193 -10.464 468 HH12 ARG 58 2HH1 ARG 58 10.867 -14.267 -9.112 469 HH21 ARG 58 1HH2 ARG 58 14.243 -15.216 -8.927 470 HH22 ARG 58 2HH2 ARG 58 12.647 -15.441 -8.264 471 H LYS 59 H LYS 59 14.304 -8.761 -14.241 472 HA LYS 59 HA LYS 59 13.744 -10.279 -16.501 473 HB2 LYS 59 2HB LYS 59 12.339 -8.471 -16.035 474 HB3 LYS 59 1HB LYS 59 13.678 -7.350 -15.870 475 HG2 LYS 59 2HG LYS 59 14.044 -7.586 -18.341 476 HG3 LYS 59 1HG LYS 59 12.517 -8.478 -18.400 477 HD2 LYS 59 2HD LYS 59 11.299 -6.611 -17.600 478 HD3 LYS 59 1HD LYS 59 12.775 -5.745 -17.170 479 HE2 LYS 59 2HE LYS 59 13.368 -5.692 -19.581 480 HE3 LYS 59 1HE LYS 59 11.794 -6.405 -19.938 481 HZ1 LYS 59 1HZ LYS 59 11.832 -3.958 -20.149 482 HZ2 LYS 59 2HZ LYS 59 12.176 -3.840 -18.491 483 HZ3 LYS 59 3HZ LYS 59 10.707 -4.505 -19.003 484 H SER 60 H SER 60 16.228 -7.742 -16.106 485 HA SER 60 HA SER 60 17.221 -8.030 -18.745 486 HG SER 60 HG SER 60 19.258 -6.382 -15.693 487 HB2 SER 60 2HB SER 60 19.239 -6.801 -17.764 488 HB3 SER 60 1HB SER 60 17.683 -5.974 -17.662 489 H THR 61 H THR 61 18.234 -9.321 -15.628 490 HA THR 61 HA THR 61 20.515 -10.707 -16.488 491 HB THR 61 HB THR 61 18.650 -11.439 -14.217 492 HG1 THR 61 1HG THR 61 19.369 -9.415 -13.771 493 HG21 THR 61 1HG2 THR 61 20.613 -12.524 -13.236 494 HG22 THR 61 2HG2 THR 61 21.555 -12.127 -14.672 495 HG23 THR 61 3HG2 THR 61 20.199 -13.247 -14.792 496 H ALA 62 H ALA 62 17.121 -11.744 -16.270 497 HA ALA 62 HA ALA 62 17.497 -14.448 -16.884 498 HB1 ALA 62 1HB ALA 62 15.105 -12.732 -17.525 499 HB2 ALA 62 2HB ALA 62 15.408 -13.541 -15.988 500 HB3 ALA 62 3HB ALA 62 15.134 -14.492 -17.448 501 H SER 63 H SER 63 17.175 -11.636 -18.988 502 HA SER 63 HA SER 63 16.940 -13.030 -21.431 503 HG SER 63 HG SER 63 17.373 -11.685 -23.233 504 HB2 SER 63 2HB SER 63 16.473 -10.610 -21.171 505 HB3 SER 63 1HB SER 63 18.192 -10.319 -20.918 506 H LEU 64 H LEU 64 19.717 -12.028 -19.511 507 HA LEU 64 HA LEU 64 21.627 -12.850 -21.510 508 HG LEU 64 HG LEU 64 23.372 -10.098 -19.823 509 HB2 LEU 64 2HB LEU 64 21.778 -11.664 -18.781 510 HB3 LEU 64 1HB LEU 64 23.197 -12.464 -19.418 511 HD11 LEU 64 1HD1 LEU 64 22.714 -11.571 -22.366 512 HD12 LEU 64 2HD1 LEU 64 24.270 -11.573 -21.537 513 HD13 LEU 64 3HD1 LEU 64 23.653 -10.082 -22.249 514 HD21 LEU 64 1HD2 LEU 64 21.020 -9.498 -19.749 515 HD22 LEU 64 2HD2 LEU 64 20.743 -10.337 -21.275 516 HD23 LEU 64 3HD2 LEU 64 21.765 -8.900 -21.232 517 H GLU 65 H GLU 65 20.295 -14.122 -18.548 518 HA GLU 65 HA GLU 65 22.132 -16.315 -18.324 519 HB2 GLU 65 2HB GLU 65 20.985 -15.274 -16.397 520 HB3 GLU 65 1HB GLU 65 19.451 -15.854 -17.010 521 HG2 GLU 65 2HG GLU 65 20.188 -18.156 -16.715 522 HG3 GLU 65 1HG GLU 65 21.745 -17.584 -16.118 523 H HIS 66 H HIS 66 19.422 -15.656 -20.130 524 HA HIS 66 HA HIS 66 18.030 -16.816 -21.493 525 HD1 HIS 66 1HD HIS 66 18.043 -17.726 -24.185 526 HD2 HIS 66 2HD HIS 66 18.792 -21.238 -22.086 527 HE1 HIS 66 1HE HIS 66 16.828 -19.539 -25.436 528 HE2 HIS 66 2HE HIS 66 17.494 -21.679 -24.282 529 HB2 HIS 66 2HB HIS 66 20.135 -17.703 -22.448 530 HB3 HIS 66 1HB HIS 66 20.115 -19.005 -21.265 531 H HIS 67 H HIS 67 16.658 -16.729 -19.556 532 HA HIS 67 HA HIS 67 16.386 -19.197 -18.049 533 HD1 HIS 67 1HD HIS 67 12.697 -17.060 -16.474 534 HD2 HIS 67 2HD HIS 67 15.805 -19.669 -15.523 535 HE1 HIS 67 1HE HIS 67 11.824 -18.523 -14.619 536 HE2 HIS 67 2HE HIS 67 13.751 -20.026 -13.991 537 HB2 HIS 67 2HB HIS 67 16.158 -16.944 -16.962 538 HB3 HIS 67 1HB HIS 67 14.689 -16.693 -17.900 539 H HIS 68 H HIS 68 15.410 -20.811 -19.049 540 HA HIS 68 HA HIS 68 13.315 -20.281 -21.017 541 HD1 HIS 68 1HD HIS 68 13.764 -22.195 -23.764 542 HD2 HIS 68 2HD HIS 68 12.397 -24.378 -20.498 543 HE1 HIS 68 1HE HIS 68 12.112 -23.848 -24.689 544 HE2 HIS 68 2HE HIS 68 11.488 -25.299 -22.730 545 HB2 HIS 68 2HB HIS 68 15.118 -21.812 -21.650 546 HB3 HIS 68 1HB HIS 68 14.769 -22.828 -20.258 547 H HIS 69 H HIS 69 11.491 -19.797 -19.855 548 HA HIS 69 HA HIS 69 10.540 -21.341 -17.679 549 HD1 HIS 69 1HD HIS 69 6.751 -19.884 -19.901 550 HD2 HIS 69 2HD HIS 69 10.505 -18.337 -20.802 551 HE1 HIS 69 1HE HIS 69 6.494 -18.723 -22.119 552 HE2 HIS 69 2HE HIS 69 8.719 -17.604 -22.526 553 HB2 HIS 69 2HB HIS 69 8.357 -20.250 -18.076 554 HB3 HIS 69 1HB HIS 69 9.677 -19.095 -18.019 555 H HIS 70 H HIS 70 9.122 -23.076 -17.617 556 HA HIS 70 HA HIS 70 9.085 -24.528 -20.182 557 HD1 HIS 70 1HD HIS 70 8.353 -27.593 -17.021 558 HD2 HIS 70 2HD HIS 70 10.054 -27.446 -20.813 559 HE1 HIS 70 1HE HIS 70 7.909 -29.844 -18.052 560 HE2 HIS 70 2HE HIS 70 8.709 -29.619 -20.425 561 HB2 HIS 70 2HB HIS 70 10.757 -25.482 -18.771 562 HB3 HIS 70 1HB HIS 70 9.669 -25.507 -17.390 563 H HIS 71 H HIS 71 7.157 -25.035 -20.925 564 HA HIS 71 HA HIS 71 5.384 -26.449 -19.132 565 HD1 HIS 71 1HD HIS 71 2.790 -25.513 -22.250 566 HD2 HIS 71 2HD HIS 71 4.989 -22.150 -21.175 567 HE1 HIS 71 1HE HIS 71 2.570 -23.914 -24.175 568 HE2 HIS 71 2HE HIS 71 3.668 -21.796 -23.373 569 HB2 HIS 71 2HB HIS 71 3.373 -25.308 -19.686 570 HB3 HIS 71 1HB HIS 71 4.520 -24.061 -19.232 571 HA MET 1 HA MET 1 -30.335 19.344 -1.362 572 H1 MET 1 1H MET 1 -31.833 21.255 -0.883 573 H2 MET 1 2H MET 1 -30.671 21.530 -2.083 574 H3 MET 1 3H MET 1 -30.451 22.179 -0.529 575 HB2 MET 1 2HB MET 1 -28.369 21.231 -0.052 576 HB3 MET 1 1HB MET 1 -28.100 19.502 -0.215 577 HG2 MET 1 2HG MET 1 -28.116 19.677 -2.615 578 HG3 MET 1 1HG MET 1 -28.544 21.383 -2.518 579 HE1 MET 1 1HE MET 1 -25.312 22.987 -1.045 580 HE2 MET 1 2HE MET 1 -26.748 22.458 -0.168 581 HE3 MET 1 3HE MET 1 -26.914 23.291 -1.714 582 H SER 2 H SER 2 -29.798 17.865 0.445 583 HA SER 2 HA SER 2 -31.448 18.571 2.770 584 HG SER 2 HG SER 2 -32.991 17.377 1.419 585 HB2 SER 2 2HB SER 2 -30.634 15.839 1.740 586 HB3 SER 2 1HB SER 2 -31.765 16.159 3.057 587 H GLU 3 H GLU 3 -30.771 17.959 4.876 588 HA GLU 3 HA GLU 3 -28.005 17.091 5.190 589 HB2 GLU 3 2HB GLU 3 -27.635 18.723 6.997 590 HB3 GLU 3 1HB GLU 3 -27.938 19.529 5.464 591 HG2 GLU 3 2HG GLU 3 -30.112 20.163 6.114 592 HG3 GLU 3 1HG GLU 3 -30.098 19.071 7.497 593 H GLY 4 H GLY 4 -27.727 16.701 7.710 594 HA2 GLY 4 2HA GLY 4 -28.992 16.143 9.739 595 HA3 GLY 4 1HA GLY 4 -30.188 15.412 8.683 596 H ALA 5 H ALA 5 -29.656 13.734 10.405 597 HA ALA 5 HA ALA 5 -27.220 12.292 10.227 598 HB1 ALA 5 1HB ALA 5 -28.296 10.658 11.660 599 HB2 ALA 5 2HB ALA 5 -29.867 11.399 11.356 600 HB3 ALA 5 3HB ALA 5 -28.624 12.291 12.234 601 H GLU 6 H GLU 6 -29.987 12.312 8.245 602 HA GLU 6 HA GLU 6 -30.211 9.609 7.536 603 HB2 GLU 6 2HB GLU 6 -30.900 12.140 6.046 604 HB3 GLU 6 1HB GLU 6 -31.302 10.537 5.445 605 HG2 GLU 6 2HG GLU 6 -32.166 11.368 8.180 606 HG3 GLU 6 1HG GLU 6 -33.066 11.897 6.758 607 H GLU 7 H GLU 7 -28.577 12.216 5.706 608 HA GLU 7 HA GLU 7 -27.371 10.343 3.910 609 HB2 GLU 7 2HB GLU 7 -27.830 12.867 3.545 610 HB3 GLU 7 1HB GLU 7 -26.319 13.117 4.402 611 HG2 GLU 7 2HG GLU 7 -25.166 11.717 2.745 612 HG3 GLU 7 1HG GLU 7 -26.680 11.539 1.865 613 H LEU 8 H LEU 8 -26.463 11.900 6.885 614 HA LEU 8 HA LEU 8 -23.742 11.364 6.997 615 HG LEU 8 HG LEU 8 -24.040 12.924 10.267 616 HB2 LEU 8 2HB LEU 8 -25.576 12.556 8.547 617 HB3 LEU 8 1HB LEU 8 -25.394 11.059 9.434 618 HD11 LEU 8 1HD1 LEU 8 -21.959 11.661 10.533 619 HD12 LEU 8 2HD1 LEU 8 -22.451 10.582 9.228 620 HD13 LEU 8 3HD1 LEU 8 -23.372 10.626 10.732 621 HD21 LEU 8 1HD2 LEU 8 -22.604 12.650 7.639 622 HD22 LEU 8 2HD2 LEU 8 -22.018 13.579 9.018 623 HD23 LEU 8 3HD2 LEU 8 -23.513 14.049 8.209 624 H LYS 9 H LYS 9 -26.515 9.416 7.974 625 HA LYS 9 HA LYS 9 -25.176 7.181 8.990 626 HB2 LYS 9 2HB LYS 9 -27.587 7.661 9.274 627 HB3 LYS 9 1HB LYS 9 -27.841 7.338 7.571 628 HG2 LYS 9 2HG LYS 9 -27.094 5.008 7.942 629 HG3 LYS 9 1HG LYS 9 -26.995 5.359 9.672 630 HD2 LYS 9 2HD LYS 9 -29.368 5.925 9.699 631 HD3 LYS 9 1HD LYS 9 -29.472 5.618 7.965 632 HE2 LYS 9 2HE LYS 9 -28.750 3.273 8.417 633 HE3 LYS 9 1HE LYS 9 -28.879 3.620 10.142 634 HZ1 LYS 9 1HZ LYS 9 -31.223 4.121 9.829 635 HZ2 LYS 9 2HZ LYS 9 -30.873 2.554 9.296 636 HZ3 LYS 9 3HZ LYS 9 -31.095 3.803 8.168 637 H ALA 10 H ALA 10 -26.546 7.690 5.748 638 HA ALA 10 HA ALA 10 -25.656 5.267 4.650 639 HB1 ALA 10 1HB ALA 10 -26.083 6.276 2.484 640 HB2 ALA 10 2HB ALA 10 -26.136 7.878 3.221 641 HB3 ALA 10 3HB ALA 10 -27.374 6.684 3.615 642 H LYS 11 H LYS 11 -24.113 8.426 4.872 643 HA LYS 11 HA LYS 11 -21.902 7.755 3.209 644 HB2 LYS 11 2HB LYS 11 -22.848 10.081 3.871 645 HB3 LYS 11 1HB LYS 11 -21.831 9.913 5.295 646 HG2 LYS 11 2HG LYS 11 -20.762 11.211 3.504 647 HG3 LYS 11 1HG LYS 11 -19.856 9.752 3.918 648 HD2 LYS 11 2HD LYS 11 -20.604 8.629 1.972 649 HD3 LYS 11 1HD LYS 11 -21.832 9.852 1.648 650 HE2 LYS 11 2HE LYS 11 -18.878 10.417 1.627 651 HE3 LYS 11 1HE LYS 11 -19.785 9.951 0.189 652 HZ1 LYS 11 1HZ LYS 11 -19.597 12.332 0.298 653 HZ2 LYS 11 2HZ LYS 11 -20.245 12.365 1.862 654 HZ3 LYS 11 3HZ LYS 11 -21.218 11.901 0.553 655 H LEU 12 H LEU 12 -22.357 7.894 6.732 656 HA LEU 12 HA LEU 12 -19.724 7.165 7.434 657 HG LEU 12 HG LEU 12 -20.430 5.357 9.888 658 HB2 LEU 12 2HB LEU 12 -21.346 8.103 9.027 659 HB3 LEU 12 1HB LEU 12 -22.311 6.645 8.911 660 HD11 LEU 12 1HD1 LEU 12 -18.587 6.556 10.945 661 HD12 LEU 12 2HD1 LEU 12 -19.182 8.074 10.273 662 HD13 LEU 12 3HD1 LEU 12 -18.596 6.803 9.199 663 HD21 LEU 12 1HD2 LEU 12 -22.237 6.177 11.298 664 HD22 LEU 12 2HD2 LEU 12 -21.381 7.702 11.526 665 HD23 LEU 12 3HD2 LEU 12 -20.700 6.204 12.165 666 H LYS 13 H LYS 13 -22.640 5.245 6.832 667 HA LYS 13 HA LYS 13 -21.612 2.701 7.355 668 HB2 LYS 13 2HB LYS 13 -23.985 3.185 6.853 669 HB3 LYS 13 1HB LYS 13 -23.560 3.488 5.180 670 HG2 LYS 13 2HG LYS 13 -24.544 1.263 5.525 671 HG3 LYS 13 1HG LYS 13 -22.907 1.192 4.873 672 HD2 LYS 13 2HD LYS 13 -22.030 0.716 7.104 673 HD3 LYS 13 1HD LYS 13 -23.662 0.815 7.770 674 HE2 LYS 13 2HE LYS 13 -24.353 -1.117 6.537 675 HE3 LYS 13 1HE LYS 13 -22.843 -1.139 5.625 676 HZ1 LYS 13 1HZ LYS 13 -22.941 -2.791 7.448 677 HZ2 LYS 13 2HZ LYS 13 -23.004 -1.512 8.565 678 HZ3 LYS 13 3HZ LYS 13 -21.642 -1.709 7.581 679 H LYS 14 H LYS 14 -21.629 4.541 4.345 680 HA LYS 14 HA LYS 14 -20.323 2.774 2.661 681 HB2 LYS 14 2HB LYS 14 -21.446 4.993 2.127 682 HB3 LYS 14 1HB LYS 14 -19.950 5.766 2.628 683 HG2 LYS 14 2HG LYS 14 -19.949 5.587 0.253 684 HG3 LYS 14 1HG LYS 14 -18.757 4.452 0.891 685 HD2 LYS 14 2HD LYS 14 -20.092 3.450 -0.898 686 HD3 LYS 14 1HD LYS 14 -20.343 2.621 0.635 687 HE2 LYS 14 2HE LYS 14 -22.434 3.794 0.965 688 HE3 LYS 14 1HE LYS 14 -22.168 4.739 -0.499 689 HZ1 LYS 14 1HZ LYS 14 -22.383 2.791 -1.825 690 HZ2 LYS 14 2HZ LYS 14 -23.715 2.835 -0.774 691 HZ3 LYS 14 3HZ LYS 14 -22.428 1.783 -0.463 692 H LEU 15 H LEU 15 -18.879 5.407 4.586 693 HA LEU 15 HA LEU 15 -16.222 4.876 3.807 694 HG LEU 15 HG LEU 15 -16.130 8.317 5.073 695 HB2 LEU 15 2HB LEU 15 -17.513 6.492 5.944 696 HB3 LEU 15 1HB LEU 15 -15.804 6.151 6.103 697 HD11 LEU 15 1HD1 LEU 15 -14.192 7.032 4.385 698 HD12 LEU 15 2HD1 LEU 15 -14.801 8.005 3.045 699 HD13 LEU 15 3HD1 LEU 15 -15.133 6.274 3.100 700 HD21 LEU 15 1HD2 LEU 15 -17.194 8.563 2.889 701 HD22 LEU 15 2HD2 LEU 15 -18.332 7.951 4.089 702 HD23 LEU 15 3HD2 LEU 15 -17.627 6.853 2.903 703 H ASN 16 H ASN 16 -18.095 3.818 6.620 704 HA ASN 16 HA ASN 16 -16.015 2.538 8.010 705 HB2 ASN 16 2HB ASN 16 -18.314 3.035 8.907 706 HB3 ASN 16 1HB ASN 16 -18.928 1.700 7.944 707 HD21 ASN 16 1HD2 ASN 16 -18.948 2.119 10.829 708 HD22 ASN 16 2HD2 ASN 16 -18.153 0.747 11.520 709 H ALA 17 H ALA 17 -18.288 1.324 5.572 710 HA ALA 17 HA ALA 17 -17.368 -1.350 5.596 711 HB1 ALA 17 1HB ALA 17 -18.730 0.148 3.356 712 HB2 ALA 17 2HB ALA 17 -19.549 -0.686 4.677 713 HB3 ALA 17 3HB ALA 17 -18.595 -1.603 3.510 714 H GLN 18 H GLN 18 -16.533 1.450 3.594 715 HA GLN 18 HA GLN 18 -14.831 0.104 1.806 716 HB2 GLN 18 2HB GLN 18 -15.744 2.319 1.340 717 HB3 GLN 18 1HB GLN 18 -14.818 3.000 2.670 718 HG2 GLN 18 2HG GLN 18 -12.758 2.596 1.531 719 HG3 GLN 18 1HG GLN 18 -13.578 1.676 0.270 720 HE21 GLN 18 1HE2 GLN 18 -14.767 2.753 -1.288 721 HE22 GLN 18 2HE2 GLN 18 -14.636 4.465 -1.548 722 H ALA 19 H ALA 19 -14.082 1.996 4.727 723 HA ALA 19 HA ALA 19 -11.303 1.700 4.674 724 HB1 ALA 19 1HB ALA 19 -13.087 1.959 7.089 725 HB2 ALA 19 2HB ALA 19 -12.480 3.293 6.109 726 HB3 ALA 19 3HB ALA 19 -11.356 2.295 7.032 727 H THR 20 H THR 20 -13.784 -0.352 6.149 728 HA THR 20 HA THR 20 -11.948 -2.145 7.365 729 HB THR 20 HB THR 20 -14.843 -2.616 6.630 730 HG1 THR 20 1HG THR 20 -15.019 -1.038 8.081 731 HG21 THR 20 1HG2 THR 20 -13.062 -3.995 8.646 732 HG22 THR 20 2HG2 THR 20 -13.641 -4.689 7.131 733 HG23 THR 20 3HG2 THR 20 -14.783 -4.299 8.417 734 H ALA 21 H ALA 21 -13.648 -2.134 4.266 735 HA ALA 21 HA ALA 21 -12.966 -4.772 3.503 736 HB1 ALA 21 1HB ALA 21 -13.617 -2.421 1.732 737 HB2 ALA 21 2HB ALA 21 -14.795 -3.500 2.477 738 HB3 ALA 21 3HB ALA 21 -13.667 -4.124 1.274 739 H LEU 22 H LEU 22 -11.444 -1.631 2.885 740 HA LEU 22 HA LEU 22 -9.436 -2.588 1.148 741 HG LEU 22 HG LEU 22 -9.349 1.017 0.580 742 HB2 LEU 22 2HB LEU 22 -9.902 -0.102 2.684 743 HB3 LEU 22 1HB LEU 22 -8.246 -0.418 2.203 744 HD11 LEU 22 1HD1 LEU 22 -8.844 -1.760 -0.471 745 HD12 LEU 22 2HD1 LEU 22 -7.643 -0.489 -0.239 746 HD13 LEU 22 3HD1 LEU 22 -8.914 -0.295 -1.448 747 HD21 LEU 22 1HD2 LEU 22 -11.215 0.194 -0.780 748 HD22 LEU 22 2HD2 LEU 22 -11.651 0.312 0.926 749 HD23 LEU 22 3HD2 LEU 22 -11.290 -1.261 0.215 750 H LYS 23 H LYS 23 -9.607 -2.389 4.652 751 HA LYS 23 HA LYS 23 -6.911 -2.953 5.218 752 HB2 LYS 23 2HB LYS 23 -8.440 -2.250 6.975 753 HB3 LYS 23 1HB LYS 23 -9.403 -3.706 6.764 754 HG2 LYS 23 2HG LYS 23 -7.475 -5.058 7.465 755 HG3 LYS 23 1HG LYS 23 -6.557 -3.578 7.728 756 HD2 LYS 23 2HD LYS 23 -8.167 -2.877 9.428 757 HD3 LYS 23 1HD LYS 23 -9.093 -4.359 9.165 758 HE2 LYS 23 2HE LYS 23 -7.093 -5.670 9.807 759 HE3 LYS 23 1HE LYS 23 -6.250 -4.164 10.162 760 HZ1 LYS 23 1HZ LYS 23 -7.162 -5.200 12.149 761 HZ2 LYS 23 2HZ LYS 23 -8.724 -5.096 11.509 762 HZ3 LYS 23 3HZ LYS 23 -7.864 -3.681 11.874 763 H MET 24 H MET 24 -9.686 -5.086 4.728 764 HA MET 24 HA MET 24 -8.306 -7.505 5.214 765 HB2 MET 24 2HB MET 24 -10.824 -7.041 3.602 766 HB3 MET 24 1HB MET 24 -10.264 -8.593 4.212 767 HG2 MET 24 2HG MET 24 -10.552 -7.848 6.485 768 HG3 MET 24 1HG MET 24 -11.010 -6.239 5.929 769 HE1 MET 24 1HE MET 24 -11.999 -10.035 6.025 770 HE2 MET 24 2HE MET 24 -12.031 -9.667 4.301 771 HE3 MET 24 3HE MET 24 -13.532 -10.027 5.154 772 H ASP 25 H ASP 25 -8.958 -5.637 2.311 773 HA ASP 25 HA ASP 25 -8.047 -7.596 0.467 774 HB2 ASP 25 2HB ASP 25 -9.535 -5.529 0.036 775 HB3 ASP 25 1HB ASP 25 -8.026 -4.628 -0.052 776 H LEU 26 H LEU 26 -6.527 -4.868 2.098 777 HA LEU 26 HA LEU 26 -4.093 -4.875 0.700 778 HG LEU 26 HG LEU 26 -2.230 -4.154 3.125 779 HB2 LEU 26 2HB LEU 26 -4.836 -3.013 2.113 780 HB3 LEU 26 1HB LEU 26 -4.659 -4.016 3.539 781 HD11 LEU 26 1HD1 LEU 26 -2.818 -2.208 0.900 782 HD12 LEU 26 2HD1 LEU 26 -2.217 -3.856 0.718 783 HD13 LEU 26 3HD1 LEU 26 -1.213 -2.629 1.491 784 HD21 LEU 26 1HD2 LEU 26 -3.370 -1.371 3.292 785 HD22 LEU 26 2HD2 LEU 26 -1.719 -1.820 3.718 786 HD23 LEU 26 3HD2 LEU 26 -3.075 -2.473 4.639 787 H HIS 27 H HIS 27 -4.923 -6.387 3.843 788 HA HIS 27 HA HIS 27 -2.370 -7.506 4.248 789 HD1 HIS 27 1HD HIS 27 -5.044 -10.488 6.670 790 HD2 HIS 27 2HD HIS 27 -1.192 -9.039 6.063 791 HE1 HIS 27 1HE HIS 27 -3.504 -12.246 7.596 792 HE2 HIS 27 2HE HIS 27 -1.195 -11.483 6.934 793 HB2 HIS 27 2HB HIS 27 -3.889 -7.318 6.122 794 HB3 HIS 27 1HB HIS 27 -5.046 -8.396 5.346 795 H ASP 28 H ASP 28 -5.192 -8.713 2.540 796 HA ASP 28 HA ASP 28 -4.321 -11.379 2.232 797 HB2 ASP 28 2HB ASP 28 -6.635 -10.735 1.796 798 HB3 ASP 28 1HB ASP 28 -6.120 -9.716 0.455 799 H LEU 29 H LEU 29 -3.930 -8.506 0.176 800 HA LEU 29 HA LEU 29 -2.441 -9.814 -1.856 801 HG LEU 29 HG LEU 29 -0.664 -7.433 -2.696 802 HB2 LEU 29 2HB LEU 29 -3.628 -7.673 -2.171 803 HB3 LEU 29 1HB LEU 29 -2.484 -6.890 -1.097 804 HD11 LEU 29 1HD1 LEU 29 -1.235 -8.175 -4.946 805 HD12 LEU 29 2HD1 LEU 29 -2.925 -8.346 -4.472 806 HD13 LEU 29 3HD1 LEU 29 -1.697 -9.385 -3.750 807 HD21 LEU 29 1HD2 LEU 29 -1.738 -5.257 -2.738 808 HD22 LEU 29 2HD2 LEU 29 -2.983 -5.876 -3.823 809 HD23 LEU 29 3HD2 LEU 29 -1.310 -5.768 -4.370 810 H ALA 30 H ALA 30 -1.565 -8.227 1.144 811 HA ALA 30 HA ALA 30 1.245 -8.127 0.597 812 HB1 ALA 30 1HB ALA 30 0.196 -6.555 2.133 813 HB2 ALA 30 2HB ALA 30 1.477 -7.462 2.937 814 HB3 ALA 30 3HB ALA 30 -0.214 -7.877 3.226 815 H GLU 31 H GLU 31 -0.895 -10.507 1.974 816 HA GLU 31 HA GLU 31 1.219 -12.031 3.214 817 HB2 GLU 31 2HB GLU 31 -1.303 -11.941 3.852 818 HB3 GLU 31 1HB GLU 31 -1.516 -13.095 2.544 819 HG2 GLU 31 2HG GLU 31 -1.366 -14.255 4.638 820 HG3 GLU 31 1HG GLU 31 0.055 -14.620 3.657 821 H ASP 32 H ASP 32 -0.342 -11.839 0.143 822 HA ASP 32 HA ASP 32 0.970 -14.299 -0.781 823 HB2 ASP 32 2HB ASP 32 -1.598 -13.866 -1.028 824 HB3 ASP 32 1HB ASP 32 -1.111 -12.822 -2.360 825 H LEU 33 H LEU 33 2.213 -11.673 -0.376 826 HA LEU 33 HA LEU 33 2.613 -10.118 -2.575 827 HG LEU 33 HG LEU 33 2.698 -9.107 0.160 828 HB2 LEU 33 2HB LEU 33 4.331 -10.821 -0.249 829 HB3 LEU 33 1HB LEU 33 5.044 -9.901 -1.565 830 HD11 LEU 33 1HD1 LEU 33 4.890 -8.718 1.142 831 HD12 LEU 33 2HD1 LEU 33 4.107 -7.195 0.717 832 HD13 LEU 33 3HD1 LEU 33 5.393 -7.840 -0.303 833 HD21 LEU 33 1HD2 LEU 33 2.667 -7.030 -1.214 834 HD22 LEU 33 2HD2 LEU 33 2.134 -8.470 -2.080 835 HD23 LEU 33 3HD2 LEU 33 3.751 -7.824 -2.359 836 HA PRO 34 HA PRO 34 4.452 -10.029 -5.906 837 HB2 PRO 34 2HB PRO 34 6.482 -12.197 -5.465 838 HB3 PRO 34 1HB PRO 34 6.503 -10.875 -6.644 839 HG2 PRO 34 2HG PRO 34 7.635 -10.774 -4.090 840 HG3 PRO 34 1HG PRO 34 7.250 -9.370 -5.100 841 HD2 PRO 34 2HD PRO 34 6.068 -9.990 -2.621 842 HD3 PRO 34 1HD PRO 34 5.418 -8.844 -3.818 843 H THR 35 H THR 35 2.987 -10.626 -6.995 844 HA THR 35 HA THR 35 2.570 -12.864 -8.473 845 HB THR 35 HB THR 35 0.953 -12.952 -5.907 846 HG1 THR 35 1HG THR 35 2.931 -14.242 -6.241 847 HG21 THR 35 1HG2 THR 35 -0.648 -13.015 -7.766 848 HG22 THR 35 2HG2 THR 35 -0.544 -14.582 -6.966 849 HG23 THR 35 3HG2 THR 35 0.264 -14.329 -8.513 850 H GLY 36 H GLY 36 0.921 -10.477 -6.474 851 HA2 GLY 36 2HA GLY 36 -0.027 -9.159 -8.941 852 HA3 GLY 36 1HA GLY 36 -1.092 -9.340 -7.549 853 H TRP 37 H TRP 37 2.334 -8.714 -7.415 854 HA TRP 37 HA TRP 37 2.096 -6.718 -5.457 855 HD1 TRP 37 HD TRP 37 4.275 -9.653 -7.853 856 HE1 TRP 37 1HE TRP 37 5.763 -9.361 -9.942 857 HE3 TRP 37 3HE TRP 37 5.571 -4.749 -7.241 858 HZ2 TRP 37 2HZ TRP 37 7.272 -7.320 -11.155 859 HZ3 TRP 37 3HZ TRP 37 7.043 -3.705 -8.908 860 HH2 TRP 37 HH TRP 37 7.877 -4.963 -10.825 861 HB2 TRP 37 2HB TRP 37 4.537 -6.474 -5.717 862 HB3 TRP 37 1HB TRP 37 4.054 -8.161 -5.600 863 H ASN 38 H ASN 38 1.837 -6.517 -8.841 864 HA ASN 38 HA ASN 38 2.823 -3.916 -9.284 865 HB2 ASN 38 2HB ASN 38 2.293 -5.493 -11.103 866 HB3 ASN 38 1HB ASN 38 0.586 -5.374 -10.703 867 HD21 ASN 38 1HD2 ASN 38 -0.083 -4.574 -12.617 868 HD22 ASN 38 2HD2 ASN 38 0.342 -3.005 -13.214 869 H ARG 39 H ARG 39 0.014 -5.103 -7.714 870 HA ARG 39 HA ARG 39 -1.369 -2.530 -7.992 871 HE ARG 39 HE ARG 39 -6.105 -2.565 -8.150 872 HB2 ARG 39 2HB ARG 39 -2.461 -4.820 -8.504 873 HB3 ARG 39 1HB ARG 39 -2.566 -4.996 -6.757 874 HG2 ARG 39 2HG ARG 39 -3.893 -2.970 -6.612 875 HG3 ARG 39 1HG ARG 39 -3.743 -2.732 -8.355 876 HD2 ARG 39 2HD ARG 39 -4.862 -4.949 -8.662 877 HD3 ARG 39 1HD ARG 39 -5.164 -4.973 -6.926 878 HH11 ARG 39 1HH1 ARG 39 -6.912 -5.929 -7.543 879 HH12 ARG 39 2HH1 ARG 39 -8.622 -5.684 -7.736 880 HH21 ARG 39 1HH2 ARG 39 -8.341 -2.248 -8.385 881 HH22 ARG 39 2HH2 ARG 39 -9.433 -3.586 -8.223 882 H ILE 40 H ILE 40 0.825 -3.737 -5.962 883 HA ILE 40 HA ILE 40 -0.197 -3.657 -3.386 884 HB ILE 40 HB ILE 40 2.531 -2.866 -4.403 885 HG12 ILE 40 2HG1 ILE 40 1.607 -5.279 -2.836 886 HG13 ILE 40 1HG1 ILE 40 1.863 -5.247 -4.578 887 HG21 ILE 40 1HG2 ILE 40 3.320 -2.953 -2.070 888 HG22 ILE 40 2HG2 ILE 40 1.647 -3.117 -1.531 889 HG23 ILE 40 3HG2 ILE 40 2.171 -1.642 -2.342 890 HD11 ILE 40 1HD1 ILE 40 4.223 -4.755 -4.235 891 HD12 ILE 40 2HD1 ILE 40 3.750 -6.246 -3.419 892 HD13 ILE 40 3HD1 ILE 40 3.973 -4.765 -2.489 893 H MET 41 H MET 41 1.216 -0.959 -5.238 894 HA MET 41 HA MET 41 0.906 0.956 -3.197 895 HB2 MET 41 2HB MET 41 2.452 1.260 -5.081 896 HB3 MET 41 1HB MET 41 1.088 1.378 -6.186 897 HG2 MET 41 2HG MET 41 0.353 3.419 -5.106 898 HG3 MET 41 1HG MET 41 1.649 3.283 -3.919 899 HE1 MET 41 1HE MET 41 4.830 3.847 -6.122 900 HE2 MET 41 2HE MET 41 4.093 2.333 -5.600 901 HE3 MET 41 3HE MET 41 4.225 3.683 -4.472 902 H GLU 42 H GLU 42 -1.112 0.147 -5.984 903 HA GLU 42 HA GLU 42 -2.986 2.189 -5.778 904 HB2 GLU 42 2HB GLU 42 -2.738 0.540 -7.658 905 HB3 GLU 42 1HB GLU 42 -3.552 -0.646 -6.655 906 HG2 GLU 42 2HG GLU 42 -5.502 0.867 -6.526 907 HG3 GLU 42 1HG GLU 42 -4.691 1.949 -7.654 908 H VAL 43 H VAL 43 -3.121 -1.096 -4.437 909 HA VAL 43 HA VAL 43 -5.576 -0.805 -3.102 910 HB VAL 43 HB VAL 43 -3.241 -2.574 -2.341 911 HG11 VAL 43 1HG1 VAL 43 -4.820 -2.300 -0.487 912 HG12 VAL 43 2HG1 VAL 43 -4.900 -3.931 -1.153 913 HG13 VAL 43 3HG1 VAL 43 -6.152 -2.756 -1.552 914 HG21 VAL 43 1HG2 VAL 43 -5.667 -3.105 -4.053 915 HG22 VAL 43 2HG2 VAL 43 -4.515 -4.331 -3.526 916 HG23 VAL 43 3HG2 VAL 43 -3.990 -3.031 -4.597 917 H ALA 44 H ALA 44 -2.251 -0.399 -1.891 918 HA ALA 44 HA ALA 44 -2.913 0.308 0.731 919 HB1 ALA 44 1HB ALA 44 -0.666 1.216 0.883 920 HB2 ALA 44 2HB ALA 44 -0.526 1.198 -0.875 921 HB3 ALA 44 3HB ALA 44 -0.659 -0.320 0.014 922 H GLU 45 H GLU 45 -2.608 2.295 -2.178 923 HA GLU 45 HA GLU 45 -2.846 4.829 -1.100 924 HB2 GLU 45 2HB GLU 45 -3.806 3.614 -3.674 925 HB3 GLU 45 1HB GLU 45 -4.086 5.300 -3.306 926 HG2 GLU 45 2HG GLU 45 -1.669 5.651 -3.107 927 HG3 GLU 45 1HG GLU 45 -1.408 3.957 -3.523 928 H LYS 46 H LYS 46 -5.456 2.681 -2.208 929 HA LYS 46 HA LYS 46 -7.506 4.482 -1.435 930 HB2 LYS 46 2HB LYS 46 -7.460 1.636 -2.357 931 HB3 LYS 46 1HB LYS 46 -8.944 2.303 -1.692 932 HG2 LYS 46 2HG LYS 46 -8.963 2.477 -4.097 933 HG3 LYS 46 1HG LYS 46 -8.882 4.087 -3.385 934 HD2 LYS 46 2HD LYS 46 -6.382 3.981 -3.728 935 HD3 LYS 46 1HD LYS 46 -6.658 2.523 -4.683 936 HE2 LYS 46 2HE LYS 46 -8.104 3.793 -6.194 937 HE3 LYS 46 1HE LYS 46 -7.834 5.245 -5.236 938 HZ1 LYS 46 1HZ LYS 46 -5.441 5.025 -5.764 939 HZ2 LYS 46 2HZ LYS 46 -6.411 5.296 -7.125 940 HZ3 LYS 46 3HZ LYS 46 -5.817 3.747 -6.809 941 H THR 47 H THR 47 -5.941 1.776 0.173 942 HA THR 47 HA THR 47 -7.644 1.612 2.403 943 HB THR 47 HB THR 47 -4.645 1.175 2.361 944 HG1 THR 47 1HG THR 47 -6.226 -1.050 2.243 945 HG21 THR 47 1HG2 THR 47 -6.781 0.036 4.171 946 HG22 THR 47 2HG2 THR 47 -5.615 1.283 4.618 947 HG23 THR 47 3HG2 THR 47 -5.059 -0.345 4.226 948 H TYR 48 H TYR 48 -4.761 3.592 1.787 949 HA TYR 48 HA TYR 48 -4.761 4.918 4.287 950 HD1 TYR 48 1HD TYR 48 -2.866 6.039 5.295 951 HD2 TYR 48 2HD TYR 48 -2.976 7.988 1.516 952 HE1 TYR 48 1HE TYR 48 -2.012 8.097 6.336 953 HE2 TYR 48 2HE TYR 48 -2.115 10.045 2.548 954 HH TYR 48 HH TYR 48 -0.845 10.114 5.747 955 HB2 TYR 48 2HB TYR 48 -2.771 4.820 2.858 956 HB3 TYR 48 1HB TYR 48 -3.590 5.775 1.628 957 H GLU 49 H GLU 49 -6.088 5.790 1.103 958 HA GLU 49 HA GLU 49 -7.050 8.320 1.725 959 HB2 GLU 49 2HB GLU 49 -8.178 6.239 -0.148 960 HB3 GLU 49 1HB GLU 49 -8.696 7.911 -0.099 961 HG2 GLU 49 2HG GLU 49 -6.362 8.582 -0.643 962 HG3 GLU 49 1HG GLU 49 -5.987 6.872 -0.859 963 H ALA 50 H ALA 50 -8.624 5.157 2.039 964 HA ALA 50 HA ALA 50 -11.138 6.075 2.855 965 HB1 ALA 50 1HB ALA 50 -10.709 3.782 2.097 966 HB2 ALA 50 2HB ALA 50 -11.522 3.814 3.663 967 HB3 ALA 50 3HB ALA 50 -9.796 3.471 3.575 968 H TYR 51 H TYR 51 -8.385 4.982 4.856 969 HA TYR 51 HA TYR 51 -9.694 5.474 7.311 970 HD1 TYR 51 1HD TYR 51 -9.593 3.876 8.746 971 HD2 TYR 51 2HD TYR 51 -6.284 2.862 6.273 972 HE1 TYR 51 1HE TYR 51 -10.081 1.495 9.083 973 HE2 TYR 51 2HE TYR 51 -6.769 0.471 6.596 974 HH TYR 51 HH TYR 51 -9.647 -0.663 7.821 975 HB2 TYR 51 2HB TYR 51 -6.803 5.084 6.581 976 HB3 TYR 51 1HB TYR 51 -7.309 5.411 8.233 977 H ARG 52 H ARG 52 -7.491 7.435 5.352 978 HA ARG 52 HA ARG 52 -7.225 9.566 7.165 979 HE ARG 52 HE ARG 52 -6.360 13.852 5.593 980 HB2 ARG 52 2HB ARG 52 -5.768 9.430 5.250 981 HB3 ARG 52 1HB ARG 52 -7.130 9.540 4.145 982 HG2 ARG 52 2HG ARG 52 -5.925 11.645 4.256 983 HG3 ARG 52 1HG ARG 52 -7.562 11.824 4.888 984 HD2 ARG 52 2HD ARG 52 -6.632 11.554 7.185 985 HD3 ARG 52 1HD ARG 52 -5.015 11.567 6.482 986 HH11 ARG 52 1HH1 ARG 52 -5.134 12.540 8.609 987 HH12 ARG 52 2HH1 ARG 52 -4.889 14.100 9.325 988 HH21 ARG 52 1HH2 ARG 52 -6.029 15.885 6.535 989 HH22 ARG 52 2HH2 ARG 52 -5.382 16.002 8.149 990 H GLN 53 H GLN 53 -9.512 9.101 4.478 991 HA GLN 53 HA GLN 53 -10.884 11.532 4.920 992 HB2 GLN 53 2HB GLN 53 -10.897 10.197 2.791 993 HB3 GLN 53 1HB GLN 53 -11.978 9.059 3.582 994 HG2 GLN 53 2HG GLN 53 -13.658 10.771 3.848 995 HG3 GLN 53 1HG GLN 53 -12.565 11.982 3.177 996 HE21 GLN 53 1HE2 GLN 53 -13.931 12.509 1.516 997 HE22 GLN 53 2HE2 GLN 53 -14.234 11.449 0.174 998 H LEU 54 H LEU 54 -11.368 8.257 6.135 999 HA LEU 54 HA LEU 54 -13.901 8.632 7.287 1000 HG LEU 54 HG LEU 54 -13.377 6.997 9.931 1001 HB2 LEU 54 2HB LEU 54 -12.887 6.425 7.006 1002 HB3 LEU 54 1HB LEU 54 -11.641 6.832 8.170 1003 HD11 LEU 54 1HD1 LEU 54 -15.608 6.116 9.498 1004 HD12 LEU 54 2HD1 LEU 54 -15.217 5.947 7.787 1005 HD13 LEU 54 3HD1 LEU 54 -15.285 7.549 8.524 1006 HD21 LEU 54 1HD2 LEU 54 -12.113 4.933 9.607 1007 HD22 LEU 54 2HD2 LEU 54 -13.318 4.371 8.449 1008 HD23 LEU 54 3HD2 LEU 54 -13.761 4.599 10.142 1009 H ASP 55 H ASP 55 -10.647 9.054 8.662 1010 HA ASP 55 HA ASP 55 -11.683 9.914 11.199 1011 HB2 ASP 55 2HB ASP 55 -9.393 8.796 10.693 1012 HB3 ASP 55 1HB ASP 55 -8.863 10.424 10.280 1013 H GLU 56 H GLU 56 -10.507 11.530 8.282 1014 HA GLU 56 HA GLU 56 -10.539 14.150 9.202 1015 HB2 GLU 56 2HB GLU 56 -9.720 13.195 6.965 1016 HB3 GLU 56 1HB GLU 56 -11.403 13.271 6.451 1017 HG2 GLU 56 2HG GLU 56 -11.261 15.699 7.263 1018 HG3 GLU 56 1HG GLU 56 -9.527 15.465 7.113 1019 H PHE 57 H PHE 57 -13.066 12.111 7.795 1020 HA PHE 57 HA PHE 57 -15.206 13.879 7.834 1021 HD1 PHE 57 2HD PHE 57 -17.362 12.973 6.246 1022 HD2 PHE 57 1HD PHE 57 -17.087 10.515 9.709 1023 HE1 PHE 57 2HE PHE 57 -19.811 12.940 6.409 1024 HE2 PHE 57 1HE PHE 57 -19.540 10.475 9.882 1025 HZ PHE 57 HZ PHE 57 -20.904 11.691 8.227 1026 HB2 PHE 57 2HB PHE 57 -15.302 11.649 6.813 1027 HB3 PHE 57 1HB PHE 57 -15.177 10.904 8.399 1028 H ARG 58 H ARG 58 -13.958 11.776 10.395 1029 HA ARG 58 HA ARG 58 -15.807 12.392 12.381 1030 HE ARG 58 HE ARG 58 -17.030 10.979 12.727 1031 HB2 ARG 58 2HB ARG 58 -12.939 11.512 12.432 1032 HB3 ARG 58 1HB ARG 58 -13.816 11.825 13.915 1033 HG2 ARG 58 2HG ARG 58 -14.908 9.958 11.852 1034 HG3 ARG 58 1HG ARG 58 -13.707 9.420 13.028 1035 HD2 ARG 58 2HD ARG 58 -15.944 8.904 13.814 1036 HD3 ARG 58 1HD ARG 58 -15.198 10.115 14.852 1037 HH11 ARG 58 1HH1 ARG 58 -16.278 10.621 16.126 1038 HH12 ARG 58 2HH1 ARG 58 -17.601 11.617 16.667 1039 HH21 ARG 58 1HH2 ARG 58 -18.799 12.285 13.430 1040 HH22 ARG 58 2HH2 ARG 58 -19.033 12.563 15.126 1041 H LYS 59 H LYS 59 -12.729 13.983 11.558 1042 HA LYS 59 HA LYS 59 -12.803 15.943 13.586 1043 HB2 LYS 59 2HB LYS 59 -11.697 16.455 10.829 1044 HB3 LYS 59 1HB LYS 59 -11.168 17.142 12.354 1045 HG2 LYS 59 2HG LYS 59 -10.781 14.311 11.419 1046 HG3 LYS 59 1HG LYS 59 -9.550 15.566 11.553 1047 HD2 LYS 59 2HD LYS 59 -9.927 15.626 13.992 1048 HD3 LYS 59 1HD LYS 59 -11.088 14.303 13.821 1049 HE2 LYS 59 2HE LYS 59 -9.235 12.987 12.722 1050 HE3 LYS 59 1HE LYS 59 -8.134 14.260 13.244 1051 HZ1 LYS 59 1HZ LYS 59 -8.810 13.823 15.540 1052 HZ2 LYS 59 2HZ LYS 59 -8.134 12.452 14.813 1053 HZ3 LYS 59 3HZ LYS 59 -9.811 12.561 15.009 1054 H SER 60 H SER 60 -13.909 16.027 10.227 1055 HA SER 60 HA SER 60 -14.791 18.686 10.220 1056 HG SER 60 HG SER 60 -15.384 19.033 7.607 1057 HB2 SER 60 2HB SER 60 -14.354 17.244 8.198 1058 HB3 SER 60 1HB SER 60 -15.885 16.433 8.525 1059 H THR 61 H THR 61 -16.526 15.661 10.820 1060 HA THR 61 HA THR 61 -19.086 16.736 11.098 1061 HB THR 61 HB THR 61 -17.961 14.314 12.529 1062 HG1 THR 61 1HG THR 61 -18.559 14.778 9.924 1063 HG21 THR 61 1HG2 THR 61 -20.302 13.585 12.669 1064 HG22 THR 61 2HG2 THR 61 -20.820 15.108 11.946 1065 HG23 THR 61 3HG2 THR 61 -20.051 15.102 13.534 1066 H ALA 62 H ALA 62 -16.728 15.958 13.665 1067 HA ALA 62 HA ALA 62 -18.249 16.800 15.835 1068 HB1 ALA 62 1HB ALA 62 -16.188 15.474 16.015 1069 HB2 ALA 62 2HB ALA 62 -16.166 16.881 17.079 1070 HB3 ALA 62 3HB ALA 62 -15.246 16.898 15.574 1071 H SER 63 H SER 63 -16.210 18.651 13.663 1072 HA SER 63 HA SER 63 -16.108 21.030 15.170 1073 HG SER 63 HG SER 63 -14.306 19.490 13.067 1074 HB2 SER 63 2HB SER 63 -15.929 20.685 12.164 1075 HB3 SER 63 1HB SER 63 -15.406 22.101 13.079 1076 H LEU 64 H LEU 64 -18.273 20.054 12.508 1077 HA LEU 64 HA LEU 64 -19.811 22.496 12.706 1078 HG LEU 64 HG LEU 64 -21.043 21.746 9.333 1079 HB2 LEU 64 2HB LEU 64 -19.319 20.773 10.680 1080 HB3 LEU 64 1HB LEU 64 -20.864 20.150 11.218 1081 HD11 LEU 64 1HD1 LEU 64 -22.855 23.093 10.262 1082 HD12 LEU 64 2HD1 LEU 64 -22.322 22.691 11.894 1083 HD13 LEU 64 3HD1 LEU 64 -22.937 21.426 10.831 1084 HD21 LEU 64 1HD2 LEU 64 -20.052 23.759 11.348 1085 HD22 LEU 64 2HD2 LEU 64 -20.686 24.131 9.745 1086 HD23 LEU 64 3HD2 LEU 64 -19.189 23.212 9.909 1087 H GLU 65 H GLU 65 -19.903 19.310 13.984 1088 HA GLU 65 HA GLU 65 -22.642 19.061 14.593 1089 HB2 GLU 65 2HB GLU 65 -20.918 17.244 14.492 1090 HB3 GLU 65 1HB GLU 65 -20.294 17.821 16.023 1091 HG2 GLU 65 2HG GLU 65 -22.611 17.426 16.955 1092 HG3 GLU 65 1HG GLU 65 -22.945 16.546 15.465 1093 H HIS 66 H HIS 66 -20.253 20.987 15.904 1094 HA HIS 66 HA HIS 66 -20.130 22.395 17.707 1095 HD1 HIS 66 1HD HIS 66 -21.715 24.861 18.926 1096 HD2 HIS 66 2HD HIS 66 -22.983 21.495 21.025 1097 HE1 HIS 66 1HE HIS 66 -22.046 25.620 21.309 1098 HE2 HIS 66 2HE HIS 66 -22.939 23.598 22.531 1099 HB2 HIS 66 2HB HIS 66 -22.508 22.870 17.440 1100 HB3 HIS 66 1HB HIS 66 -22.939 21.376 18.250 1101 H HIS 67 H HIS 67 -19.917 19.284 17.574 1102 HA HIS 67 HA HIS 67 -19.247 17.535 18.814 1103 HD1 HIS 67 1HD HIS 67 -17.886 18.326 22.946 1104 HD2 HIS 67 2HD HIS 67 -16.858 16.191 19.524 1105 HE1 HIS 67 1HE HIS 67 -16.812 16.202 23.762 1106 HE2 HIS 67 2HE HIS 67 -16.280 14.881 21.677 1107 HB2 HIS 67 2HB HIS 67 -17.427 19.111 19.466 1108 HB3 HIS 67 1HB HIS 67 -18.389 19.589 20.864 1109 H HIS 68 H HIS 68 -21.126 16.523 19.225 1110 HA HIS 68 HA HIS 68 -22.848 17.318 21.405 1111 HD1 HIS 68 1HD HIS 68 -24.347 15.028 17.647 1112 HD2 HIS 68 2HD HIS 68 -24.802 18.216 20.271 1113 HE1 HIS 68 1HE HIS 68 -25.919 16.617 16.507 1114 HE2 HIS 68 2HE HIS 68 -26.405 18.373 18.241 1115 HB2 HIS 68 2HB HIS 68 -22.794 14.892 19.603 1116 HB3 HIS 68 1HB HIS 68 -23.958 15.081 20.906 1117 H HIS 69 H HIS 69 -23.375 15.819 23.157 1118 HA HIS 69 HA HIS 69 -21.038 14.245 24.010 1119 HD1 HIS 69 1HD HIS 69 -23.906 13.530 27.178 1120 HD2 HIS 69 2HD HIS 69 -24.467 17.097 25.116 1121 HE1 HIS 69 1HE HIS 69 -26.287 14.202 27.625 1122 HE2 HIS 69 2HE HIS 69 -26.653 16.272 26.237 1123 HB2 HIS 69 2HB HIS 69 -21.762 14.505 26.282 1124 HB3 HIS 69 1HB HIS 69 -21.821 16.101 25.548 1125 H HIS 70 H HIS 70 -21.512 12.147 25.001 1126 HA HIS 70 HA HIS 70 -23.348 10.639 23.491 1127 HD1 HIS 70 1HD HIS 70 -24.705 8.391 25.937 1128 HD2 HIS 70 2HD HIS 70 -21.544 7.385 23.434 1129 HE1 HIS 70 1HE HIS 70 -25.241 6.104 25.059 1130 HE2 HIS 70 2HE HIS 70 -23.443 5.629 23.366 1131 HB2 HIS 70 2HB HIS 70 -21.325 9.734 24.754 1132 HB3 HIS 70 1HB HIS 70 -22.318 9.813 26.207 1133 H HIS 71 H HIS 71 -25.465 10.423 23.663 1134 HA HIS 71 HA HIS 71 -26.941 11.836 25.626 1135 HD1 HIS 71 1HD HIS 71 -29.382 13.103 24.313 1136 HD2 HIS 71 2HD HIS 71 -30.238 9.155 25.309 1137 HE1 HIS 71 1HE HIS 71 -31.715 13.130 25.250 1138 HE2 HIS 71 2HE HIS 71 -32.278 10.708 25.665 1139 HB2 HIS 71 2HB HIS 71 -27.751 11.335 23.296 1140 HB3 HIS 71 1HB HIS 71 -27.971 9.659 23.793 Start of MODEL 9 1 HA MET 1 HA MET 1 27.995 -3.043 -23.480 2 H1 MET 1 1H MET 1 29.233 -1.261 -22.434 3 H2 MET 1 2H MET 1 29.059 -1.008 -24.098 4 H3 MET 1 3H MET 1 30.544 -1.541 -23.470 5 HB2 MET 1 2HB MET 1 30.583 -3.472 -24.993 6 HB3 MET 1 1HB MET 1 29.232 -4.597 -24.976 7 HG2 MET 1 2HG MET 1 29.088 -3.407 -26.998 8 HG3 MET 1 1HG MET 1 27.832 -2.752 -25.952 9 HE1 MET 1 1HE MET 1 27.633 -0.655 -27.615 10 HE2 MET 1 2HE MET 1 28.905 -1.363 -28.609 11 HE3 MET 1 3HE MET 1 29.020 0.321 -28.104 12 H SER 2 H SER 2 30.293 -2.286 -21.426 13 HA SER 2 HA SER 2 31.240 -4.952 -20.764 14 HG SER 2 HG SER 2 33.858 -2.658 -20.586 15 HB2 SER 2 2HB SER 2 31.781 -2.326 -19.361 16 HB3 SER 2 1HB SER 2 32.674 -3.835 -19.161 17 H GLU 3 H GLU 3 30.707 -6.077 -18.942 18 HA GLU 3 HA GLU 3 28.992 -4.907 -16.933 19 HB2 GLU 3 2HB GLU 3 27.393 -5.693 -18.673 20 HB3 GLU 3 1HB GLU 3 28.062 -7.311 -18.531 21 HG2 GLU 3 2HG GLU 3 25.949 -7.061 -17.320 22 HG3 GLU 3 1HG GLU 3 27.288 -7.476 -16.251 23 H GLY 4 H GLY 4 28.949 -6.159 -15.009 24 HA2 GLY 4 2HA GLY 4 30.957 -8.328 -14.951 25 HA3 GLY 4 1HA GLY 4 30.889 -7.091 -13.706 26 H ALA 5 H ALA 5 30.215 -10.176 -14.216 27 HA ALA 5 HA ALA 5 27.552 -10.510 -13.348 28 HB1 ALA 5 1HB ALA 5 29.873 -12.424 -13.166 29 HB2 ALA 5 2HB ALA 5 28.768 -12.256 -14.532 30 HB3 ALA 5 3HB ALA 5 28.172 -12.846 -12.980 31 H GLU 6 H GLU 6 30.540 -9.983 -11.662 32 HA GLU 6 HA GLU 6 29.817 -10.890 -9.107 33 HB2 GLU 6 2HB GLU 6 31.602 -8.548 -9.782 34 HB3 GLU 6 1HB GLU 6 31.596 -9.450 -8.275 35 HG2 GLU 6 2HG GLU 6 32.350 -11.435 -9.456 36 HG3 GLU 6 1HG GLU 6 32.352 -10.539 -10.971 37 H GLU 7 H GLU 7 29.629 -7.675 -10.534 38 HA GLU 7 HA GLU 7 28.314 -6.446 -8.353 39 HB2 GLU 7 2HB GLU 7 29.517 -5.246 -10.194 40 HB3 GLU 7 1HB GLU 7 28.181 -5.636 -11.261 41 HG2 GLU 7 2HG GLU 7 26.658 -4.397 -9.793 42 HG3 GLU 7 1HG GLU 7 28.020 -3.972 -8.758 43 H LEU 8 H LEU 8 27.214 -8.031 -11.272 44 HA LEU 8 HA LEU 8 24.498 -7.488 -11.173 45 HG LEU 8 HG LEU 8 23.520 -8.327 -13.160 46 HB2 LEU 8 2HB LEU 8 26.010 -8.773 -12.884 47 HB3 LEU 8 1HB LEU 8 25.543 -10.184 -11.957 48 HD11 LEU 8 1HD1 LEU 8 24.730 -10.796 -14.397 49 HD12 LEU 8 2HD1 LEU 8 24.946 -9.137 -14.959 50 HD13 LEU 8 3HD1 LEU 8 23.355 -9.895 -15.036 51 HD21 LEU 8 1HD2 LEU 8 22.045 -10.266 -12.981 52 HD22 LEU 8 2HD2 LEU 8 22.721 -9.846 -11.407 53 HD23 LEU 8 3HD2 LEU 8 23.367 -11.218 -12.307 54 H LYS 9 H LYS 9 26.281 -10.212 -9.790 55 HA LYS 9 HA LYS 9 24.090 -11.451 -8.513 56 HB2 LYS 9 2HB LYS 9 26.423 -12.368 -9.096 57 HB3 LYS 9 1HB LYS 9 26.959 -11.603 -7.610 58 HG2 LYS 9 2HG LYS 9 25.482 -12.990 -6.304 59 HG3 LYS 9 1HG LYS 9 24.801 -13.698 -7.775 60 HD2 LYS 9 2HD LYS 9 27.072 -14.516 -8.363 61 HD3 LYS 9 1HD LYS 9 27.650 -13.918 -6.809 62 HE2 LYS 9 2HE LYS 9 26.126 -15.423 -5.650 63 HE3 LYS 9 1HE LYS 9 25.498 -15.995 -7.196 64 HZ1 LYS 9 1HZ LYS 9 28.320 -16.267 -6.318 65 HZ2 LYS 9 2HZ LYS 9 27.644 -16.905 -7.734 66 HZ3 LYS 9 3HZ LYS 9 27.158 -17.496 -6.220 67 H ALA 10 H ALA 10 26.521 -9.154 -7.353 68 HA ALA 10 HA ALA 10 25.656 -9.119 -4.663 69 HB1 ALA 10 1HB ALA 10 27.870 -8.322 -5.379 70 HB2 ALA 10 2HB ALA 10 27.003 -7.113 -4.433 71 HB3 ALA 10 3HB ALA 10 27.102 -6.954 -6.186 72 H LYS 11 H LYS 11 24.720 -7.290 -7.512 73 HA LYS 11 HA LYS 11 23.158 -5.366 -6.107 74 HB2 LYS 11 2HB LYS 11 24.171 -5.155 -8.443 75 HB3 LYS 11 1HB LYS 11 22.831 -6.145 -9.000 76 HG2 LYS 11 2HG LYS 11 21.241 -4.496 -8.346 77 HG3 LYS 11 1HG LYS 11 22.486 -3.545 -7.530 78 HD2 LYS 11 2HD LYS 11 23.624 -3.283 -9.740 79 HD3 LYS 11 1HD LYS 11 22.232 -4.065 -10.491 80 HE2 LYS 11 2HE LYS 11 20.779 -2.304 -9.736 81 HE3 LYS 11 1HE LYS 11 22.088 -1.559 -8.822 82 HZ1 LYS 11 1HZ LYS 11 21.886 -0.347 -10.820 83 HZ2 LYS 11 2HZ LYS 11 21.806 -1.750 -11.770 84 HZ3 LYS 11 3HZ LYS 11 23.266 -1.319 -11.020 85 H LEU 12 H LEU 12 22.385 -8.323 -7.925 86 HA LEU 12 HA LEU 12 19.607 -8.284 -7.495 87 HG LEU 12 HG LEU 12 19.163 -11.319 -6.952 88 HB2 LEU 12 2HB LEU 12 20.729 -9.824 -9.064 89 HB3 LEU 12 1HB LEU 12 21.445 -10.679 -7.711 90 HD11 LEU 12 1HD1 LEU 12 17.932 -9.472 -7.970 91 HD12 LEU 12 2HD1 LEU 12 17.288 -11.033 -8.481 92 HD13 LEU 12 3HD1 LEU 12 18.309 -10.097 -9.575 93 HD21 LEU 12 1HD2 LEU 12 18.797 -12.987 -8.710 94 HD22 LEU 12 2HD2 LEU 12 20.505 -12.839 -8.302 95 HD23 LEU 12 3HD2 LEU 12 19.885 -12.099 -9.778 96 H LYS 13 H LYS 13 22.254 -9.675 -5.596 97 HA LYS 13 HA LYS 13 20.757 -10.691 -3.455 98 HB2 LYS 13 2HB LYS 13 23.162 -11.107 -3.804 99 HB3 LYS 13 1HB LYS 13 23.510 -9.436 -3.408 100 HG2 LYS 13 2HG LYS 13 22.747 -9.772 -1.140 101 HG3 LYS 13 1HG LYS 13 22.278 -11.430 -1.517 102 HD2 LYS 13 2HD LYS 13 24.583 -12.018 -1.959 103 HD3 LYS 13 1HD LYS 13 25.084 -10.343 -1.722 104 HE2 LYS 13 2HE LYS 13 24.411 -10.444 0.606 105 HE3 LYS 13 1HE LYS 13 23.811 -12.086 0.384 106 HZ1 LYS 13 1HZ LYS 13 26.065 -11.900 1.416 107 HZ2 LYS 13 2HZ LYS 13 26.642 -11.318 -0.068 108 HZ3 LYS 13 3HZ LYS 13 26.001 -12.882 0.038 109 H LYS 14 H LYS 14 22.262 -7.514 -3.850 110 HA LYS 14 HA LYS 14 21.524 -6.308 -1.477 111 HB2 LYS 14 2HB LYS 14 23.027 -5.425 -3.332 112 HB3 LYS 14 1HB LYS 14 21.559 -4.899 -4.143 113 HG2 LYS 14 2HG LYS 14 22.358 -3.013 -3.020 114 HG3 LYS 14 1HG LYS 14 21.029 -3.611 -2.023 115 HD2 LYS 14 2HD LYS 14 22.850 -3.049 -0.576 116 HD3 LYS 14 1HD LYS 14 22.717 -4.807 -0.623 117 HE2 LYS 14 2HE LYS 14 24.523 -4.882 -2.283 118 HE3 LYS 14 1HE LYS 14 24.662 -3.126 -2.201 119 HZ1 LYS 14 1HZ LYS 14 25.162 -3.392 0.200 120 HZ2 LYS 14 2HZ LYS 14 26.330 -4.068 -0.820 121 HZ3 LYS 14 3HZ LYS 14 25.212 -5.070 -0.029 122 H LEU 15 H LEU 15 19.757 -6.262 -4.563 123 HA LEU 15 HA LEU 15 17.545 -4.793 -3.583 124 HG LEU 15 HG LEU 15 17.348 -4.372 -7.222 125 HB2 LEU 15 2HB LEU 15 18.141 -6.370 -6.032 126 HB3 LEU 15 1HB LEU 15 16.461 -6.018 -5.690 127 HD11 LEU 15 1HD1 LEU 15 16.929 -3.253 -4.460 128 HD12 LEU 15 2HD1 LEU 15 15.692 -3.567 -5.678 129 HD13 LEU 15 3HD1 LEU 15 16.900 -2.311 -5.950 130 HD21 LEU 15 1HD2 LEU 15 19.153 -2.848 -6.571 131 HD22 LEU 15 2HD2 LEU 15 19.705 -4.520 -6.667 132 HD23 LEU 15 3HD2 LEU 15 19.401 -3.780 -5.095 133 H ASN 16 H ASN 16 18.231 -8.222 -3.847 134 HA ASN 16 HA ASN 16 15.682 -9.233 -3.248 135 HB2 ASN 16 2HB ASN 16 17.622 -10.554 -4.119 136 HB3 ASN 16 1HB ASN 16 18.352 -10.457 -2.521 137 HD21 ASN 16 1HD2 ASN 16 15.851 -11.856 -4.447 138 HD22 ASN 16 2HD2 ASN 16 15.368 -13.073 -3.315 139 H ALA 17 H ALA 17 18.441 -8.511 -1.140 140 HA ALA 17 HA ALA 17 17.198 -9.211 1.286 141 HB1 ALA 17 1HB ALA 17 19.617 -8.964 1.069 142 HB2 ALA 17 2HB ALA 17 18.983 -7.939 2.357 143 HB3 ALA 17 3HB ALA 17 19.419 -7.229 0.804 144 H GLN 18 H GLN 18 17.352 -6.171 -0.499 145 HA GLN 18 HA GLN 18 16.142 -4.532 1.435 146 HB2 GLN 18 2HB GLN 18 17.338 -3.645 -0.519 147 HB3 GLN 18 1HB GLN 18 16.089 -4.281 -1.580 148 HG2 GLN 18 2HG GLN 18 14.462 -2.778 -0.651 149 HG3 GLN 18 1HG GLN 18 15.617 -2.215 0.556 150 HE21 GLN 18 1HE2 GLN 18 17.832 -2.202 -1.349 151 HE22 GLN 18 2HE2 GLN 18 17.591 -0.811 -2.350 152 H ALA 19 H ALA 19 14.732 -6.318 -1.306 153 HA ALA 19 HA ALA 19 12.062 -5.579 -0.858 154 HB1 ALA 19 1HB ALA 19 12.831 -6.615 -2.932 155 HB2 ALA 19 2HB ALA 19 11.475 -7.508 -2.240 156 HB3 ALA 19 3HB ALA 19 13.119 -8.129 -2.076 157 H THR 20 H THR 20 14.028 -8.177 0.478 158 HA THR 20 HA THR 20 12.001 -9.585 1.824 159 HB THR 20 HB THR 20 14.910 -9.275 2.613 160 HG1 THR 20 1HG THR 20 14.532 -10.108 0.452 161 HG21 THR 20 1HG2 THR 20 12.893 -11.414 3.322 162 HG22 THR 20 2HG2 THR 20 13.549 -10.204 4.421 163 HG23 THR 20 3HG2 THR 20 14.608 -11.438 3.743 164 H ALA 21 H ALA 21 14.007 -6.835 2.782 165 HA ALA 21 HA ALA 21 13.176 -6.690 5.471 166 HB1 ALA 21 1HB ALA 21 14.123 -4.454 5.460 167 HB2 ALA 21 2HB ALA 21 14.177 -4.465 3.696 168 HB3 ALA 21 3HB ALA 21 15.187 -5.580 4.618 169 H LEU 22 H LEU 22 12.055 -4.930 2.582 170 HA LEU 22 HA LEU 22 10.075 -3.429 3.924 171 HG LEU 22 HG LEU 22 10.556 -1.670 0.735 172 HB2 LEU 22 2HB LEU 22 10.617 -4.110 1.070 173 HB3 LEU 22 1HB LEU 22 9.064 -3.415 1.485 174 HD11 LEU 22 1HD1 LEU 22 8.973 -1.096 2.492 175 HD12 LEU 22 2HD1 LEU 22 10.464 -0.167 2.651 176 HD13 LEU 22 3HD1 LEU 22 10.161 -1.538 3.716 177 HD21 LEU 22 1HD2 LEU 22 12.686 -2.747 1.252 178 HD22 LEU 22 2HD2 LEU 22 12.388 -2.507 2.974 179 HD23 LEU 22 3HD2 LEU 22 12.608 -1.114 1.916 180 H LYS 23 H LYS 23 10.099 -6.671 2.669 181 HA LYS 23 HA LYS 23 7.352 -7.133 2.435 182 HB2 LYS 23 2HB LYS 23 9.088 -8.687 1.613 183 HB3 LYS 23 1HB LYS 23 9.491 -9.097 3.273 184 HG2 LYS 23 2HG LYS 23 7.314 -10.079 3.609 185 HG3 LYS 23 1HG LYS 23 6.801 -9.565 2.001 186 HD2 LYS 23 2HD LYS 23 8.616 -10.971 1.041 187 HD3 LYS 23 1HD LYS 23 8.960 -11.565 2.665 188 HE2 LYS 23 2HE LYS 23 6.323 -11.842 1.227 189 HE3 LYS 23 1HE LYS 23 7.542 -13.108 1.370 190 HZ1 LYS 23 1HZ LYS 23 5.933 -11.888 3.549 191 HZ2 LYS 23 2HZ LYS 23 7.281 -12.872 3.835 192 HZ3 LYS 23 3HZ LYS 23 5.930 -13.504 3.034 193 H MET 24 H MET 24 9.505 -7.576 5.233 194 HA MET 24 HA MET 24 7.370 -8.472 6.926 195 HB2 MET 24 2HB MET 24 8.990 -8.453 8.725 196 HB3 MET 24 1HB MET 24 9.706 -9.181 7.295 197 HG2 MET 24 2HG MET 24 10.914 -7.139 6.830 198 HG3 MET 24 1HG MET 24 10.149 -6.346 8.208 199 HE1 MET 24 1HE MET 24 13.848 -6.751 9.427 200 HE2 MET 24 2HE MET 24 12.512 -5.632 9.159 201 HE3 MET 24 3HE MET 24 13.305 -6.401 7.786 202 H ASP 25 H ASP 25 8.683 -5.400 6.038 203 HA ASP 25 HA ASP 25 7.834 -3.954 8.346 204 HB2 ASP 25 2HB ASP 25 9.589 -3.164 6.736 205 HB3 ASP 25 1HB ASP 25 8.310 -2.859 5.565 206 H LEU 26 H LEU 26 6.530 -4.211 5.049 207 HA LEU 26 HA LEU 26 4.157 -2.778 5.536 208 HG LEU 26 HG LEU 26 2.270 -4.406 3.661 209 HB2 LEU 26 2HB LEU 26 5.036 -3.255 3.283 210 HB3 LEU 26 1HB LEU 26 4.678 -4.957 3.505 211 HD11 LEU 26 1HD1 LEU 26 1.517 -2.172 2.976 212 HD12 LEU 26 2HD1 LEU 26 3.193 -1.620 2.965 213 HD13 LEU 26 3HD1 LEU 26 2.442 -2.126 4.478 214 HD21 LEU 26 1HD2 LEU 26 3.231 -5.094 1.537 215 HD22 LEU 26 2HD2 LEU 26 3.661 -3.423 1.173 216 HD23 LEU 26 3HD2 LEU 26 1.966 -3.891 1.287 217 H HIS 27 H HIS 27 4.984 -6.174 5.859 218 HA HIS 27 HA HIS 27 2.519 -7.337 6.285 219 HD1 HIS 27 1HD HIS 27 4.564 -8.784 9.845 220 HD2 HIS 27 2HD HIS 27 2.495 -10.611 6.719 221 HE1 HIS 27 1HE HIS 27 3.420 -10.784 10.854 222 HE2 HIS 27 2HE HIS 27 2.185 -11.885 8.949 223 HB2 HIS 27 2HB HIS 27 4.504 -8.679 6.133 224 HB3 HIS 27 1HB HIS 27 5.207 -7.899 7.542 225 H ASP 28 H ASP 28 4.651 -5.856 8.701 226 HA ASP 28 HA ASP 28 2.981 -6.460 10.899 227 HB2 ASP 28 2HB ASP 28 5.240 -4.491 10.580 228 HB3 ASP 28 1HB ASP 28 4.431 -4.797 12.112 229 H LEU 29 H LEU 29 3.236 -3.653 8.809 230 HA LEU 29 HA LEU 29 1.546 -2.007 10.438 231 HG LEU 29 HG LEU 29 0.460 -0.210 8.164 232 HB2 LEU 29 2HB LEU 29 3.252 -1.065 8.940 233 HB3 LEU 29 1HB LEU 29 2.374 -1.682 7.555 234 HD11 LEU 29 1HD1 LEU 29 0.826 1.602 9.766 235 HD12 LEU 29 2HD1 LEU 29 2.396 0.916 10.185 236 HD13 LEU 29 3HD1 LEU 29 0.920 0.023 10.549 237 HD21 LEU 29 1HD2 LEU 29 2.078 0.475 6.483 238 HD22 LEU 29 2HD2 LEU 29 3.106 1.169 7.735 239 HD23 LEU 29 3HD2 LEU 29 1.518 1.865 7.412 240 H ALA 30 H ALA 30 1.091 -4.209 7.769 241 HA ALA 30 HA ALA 30 -1.546 -3.362 7.097 242 HB1 ALA 30 1HB ALA 30 -0.160 -5.977 6.509 243 HB2 ALA 30 2HB ALA 30 -0.132 -4.537 5.490 244 HB3 ALA 30 3HB ALA 30 -1.647 -5.401 5.753 245 H GLU 31 H GLU 31 -0.250 -5.916 9.208 246 HA GLU 31 HA GLU 31 -2.805 -7.035 9.746 247 HB2 GLU 31 2HB GLU 31 -1.666 -8.291 11.495 248 HB3 GLU 31 1HB GLU 31 -0.762 -8.346 9.998 249 HG2 GLU 31 2HG GLU 31 0.900 -6.927 10.816 250 HG3 GLU 31 1HG GLU 31 -0.105 -6.380 12.157 251 H ASP 32 H ASP 32 -0.783 -4.607 11.329 252 HA ASP 32 HA ASP 32 -2.912 -4.238 13.314 253 HB2 ASP 32 2HB ASP 32 -0.603 -4.693 14.178 254 HB3 ASP 32 1HB ASP 32 -0.092 -3.165 13.467 255 H LEU 33 H LEU 33 -4.148 -3.198 11.729 256 HA LEU 33 HA LEU 33 -3.314 -0.664 10.689 257 HG LEU 33 HG LEU 33 -3.796 -2.300 8.552 258 HB2 LEU 33 2HB LEU 33 -5.553 -2.494 10.210 259 HB3 LEU 33 1HB LEU 33 -5.946 -0.789 10.047 260 HD11 LEU 33 1HD1 LEU 33 -6.292 -0.907 7.607 261 HD12 LEU 33 2HD1 LEU 33 -6.058 -2.652 7.716 262 HD13 LEU 33 3HD1 LEU 33 -5.096 -1.701 6.584 263 HD21 LEU 33 1HD2 LEU 33 -3.423 -0.144 7.367 264 HD22 LEU 33 2HD2 LEU 33 -2.925 -0.112 9.055 265 HD23 LEU 33 3HD2 LEU 33 -4.439 0.651 8.570 266 HA PRO 34 HA PRO 34 -4.612 2.939 11.485 267 HB2 PRO 34 2HB PRO 34 -6.492 2.210 13.718 268 HB3 PRO 34 1HB PRO 34 -6.363 3.735 12.825 269 HG2 PRO 34 2HG PRO 34 -8.019 1.591 12.115 270 HG3 PRO 34 1HG PRO 34 -7.538 2.918 11.044 271 HD2 PRO 34 2HD PRO 34 -6.855 0.217 10.692 272 HD3 PRO 34 1HD PRO 34 -6.030 1.594 9.921 273 H THR 35 H THR 35 -2.913 3.550 12.123 274 HA THR 35 HA THR 35 -1.945 3.852 14.729 275 HB THR 35 HB THR 35 0.236 2.453 14.052 276 HG1 THR 35 1HG THR 35 -1.216 0.357 13.300 277 HG21 THR 35 1HG2 THR 35 -0.965 2.198 16.160 278 HG22 THR 35 2HG2 THR 35 -0.506 0.630 15.499 279 HG23 THR 35 3HG2 THR 35 -2.172 1.192 15.360 280 H GLY 36 H GLY 36 -0.481 2.958 11.657 281 HA2 GLY 36 2HA GLY 36 0.223 5.773 11.159 282 HA3 GLY 36 1HA GLY 36 1.410 4.495 10.939 283 H TRP 37 H TRP 37 -1.974 5.119 10.000 284 HA TRP 37 HA TRP 37 -1.849 3.570 7.660 285 HD1 TRP 37 HD TRP 37 -3.504 7.539 7.025 286 HE1 TRP 37 1HE TRP 37 -4.419 9.292 8.676 287 HE3 TRP 37 3HE TRP 37 -4.729 4.441 10.908 288 HZ2 TRP 37 2HZ TRP 37 -5.520 9.350 11.271 289 HZ3 TRP 37 3HZ TRP 37 -5.709 5.428 12.937 290 HH2 TRP 37 HH TRP 37 -6.097 7.832 13.114 291 HB2 TRP 37 2HB TRP 37 -3.957 4.762 7.017 292 HB3 TRP 37 1HB TRP 37 -3.997 4.030 8.614 293 H ASN 38 H ASN 38 -0.771 6.766 8.320 294 HA ASN 38 HA ASN 38 -0.720 7.718 5.639 295 HB2 ASN 38 2HB ASN 38 -0.566 9.173 7.671 296 HB3 ASN 38 1HB ASN 38 1.059 8.553 7.940 297 HD21 ASN 38 1HD2 ASN 38 2.728 9.194 6.568 298 HD22 ASN 38 2HD2 ASN 38 2.562 10.538 5.491 299 H ARG 39 H ARG 39 1.367 5.734 7.585 300 HA ARG 39 HA ARG 39 3.696 5.904 5.981 301 HE ARG 39 HE ARG 39 5.687 6.656 10.100 302 HB2 ARG 39 2HB ARG 39 2.739 3.866 7.986 303 HB3 ARG 39 1HB ARG 39 4.290 3.758 7.182 304 HG2 ARG 39 2HG ARG 39 3.445 6.102 8.857 305 HG3 ARG 39 1HG ARG 39 4.352 4.722 9.475 306 HD2 ARG 39 2HD ARG 39 6.090 5.195 7.736 307 HD3 ARG 39 1HD ARG 39 5.217 6.679 7.350 308 HH11 ARG 39 1HH1 ARG 39 7.523 6.882 7.109 309 HH12 ARG 39 2HH1 ARG 39 8.843 7.743 7.845 310 HH21 ARG 39 1HH2 ARG 39 7.422 7.793 11.058 311 HH22 ARG 39 2HH2 ARG 39 8.784 8.265 10.087 312 H ILE 40 H ILE 40 0.743 4.167 5.709 313 HA ILE 40 HA ILE 40 1.447 1.842 4.405 314 HB ILE 40 HB ILE 40 -1.008 3.548 3.968 315 HG12 ILE 40 2HG1 ILE 40 -0.553 1.071 5.655 316 HG13 ILE 40 1HG1 ILE 40 -0.695 2.718 6.268 317 HG21 ILE 40 1HG2 ILE 40 -0.509 0.696 3.130 318 HG22 ILE 40 2HG2 ILE 40 -0.672 2.083 2.054 319 HG23 ILE 40 3HG2 ILE 40 -2.050 1.545 3.015 320 HD11 ILE 40 1HD1 ILE 40 -2.985 2.819 5.414 321 HD12 ILE 40 2HD1 ILE 40 -2.766 1.508 6.572 322 HD13 ILE 40 3HD1 ILE 40 -2.840 1.157 4.843 323 H MET 41 H MET 41 0.735 4.993 2.918 324 HA MET 41 HA MET 41 1.145 4.115 0.262 325 HB2 MET 41 2HB MET 41 -0.136 6.127 0.750 326 HB3 MET 41 1HB MET 41 1.292 6.902 1.423 327 HG2 MET 41 2HG MET 41 2.345 6.973 -0.717 328 HG3 MET 41 1HG MET 41 1.070 5.988 -1.433 329 HE1 MET 41 1HE MET 41 -1.327 6.816 -1.981 330 HE2 MET 41 2HE MET 41 -1.975 8.386 -1.503 331 HE3 MET 41 3HE MET 41 -1.593 7.178 -0.276 332 H GLU 42 H GLU 42 3.295 5.619 2.637 333 HA GLU 42 HA GLU 42 5.527 5.994 0.964 334 HB2 GLU 42 2HB GLU 42 5.303 6.966 3.243 335 HB3 GLU 42 1HB GLU 42 5.509 5.361 3.924 336 HG2 GLU 42 2HG GLU 42 7.722 5.319 2.635 337 HG3 GLU 42 1HG GLU 42 7.512 7.062 2.498 338 H VAL 43 H VAL 43 4.840 3.414 3.293 339 HA VAL 43 HA VAL 43 7.039 1.805 2.691 340 HB VAL 43 HB VAL 43 4.335 0.927 3.731 341 HG11 VAL 43 1HG1 VAL 43 5.659 -0.952 2.879 342 HG12 VAL 43 2HG1 VAL 43 5.502 -1.010 4.634 343 HG13 VAL 43 3HG1 VAL 43 7.010 -0.460 3.903 344 HG21 VAL 43 1HG2 VAL 43 5.353 2.645 5.124 345 HG22 VAL 43 2HG2 VAL 43 6.851 1.717 5.197 346 HG23 VAL 43 3HG2 VAL 43 5.382 1.085 5.944 347 H ALA 44 H ALA 44 3.744 1.769 1.360 348 HA ALA 44 HA ALA 44 4.003 -0.505 -0.244 349 HB1 ALA 44 1HB ALA 44 2.329 1.940 -0.788 350 HB2 ALA 44 2HB ALA 44 1.860 0.581 0.231 351 HB3 ALA 44 3HB ALA 44 2.110 0.340 -1.497 352 H GLU 45 H GLU 45 4.616 2.913 -1.026 353 HA GLU 45 HA GLU 45 5.339 2.543 -3.706 354 HB2 GLU 45 2HB GLU 45 4.939 4.766 -2.817 355 HB3 GLU 45 1HB GLU 45 6.300 4.606 -1.713 356 HG2 GLU 45 2HG GLU 45 7.787 4.386 -3.712 357 HG3 GLU 45 1HG GLU 45 6.395 4.786 -4.715 358 H LYS 46 H LYS 46 7.404 2.792 -0.836 359 HA LYS 46 HA LYS 46 9.830 2.351 -2.172 360 HB2 LYS 46 2HB LYS 46 8.990 2.127 0.701 361 HB3 LYS 46 1HB LYS 46 10.645 1.795 0.191 362 HG2 LYS 46 2HG LYS 46 11.049 3.971 -0.403 363 HG3 LYS 46 1HG LYS 46 9.347 4.322 -0.689 364 HD2 LYS 46 2HD LYS 46 10.215 5.466 1.277 365 HD3 LYS 46 1HD LYS 46 8.924 4.345 1.694 366 HE2 LYS 46 2HE LYS 46 10.482 2.763 2.558 367 HE3 LYS 46 1HE LYS 46 11.847 3.670 1.911 368 HZ1 LYS 46 1HZ LYS 46 11.414 3.934 4.356 369 HZ2 LYS 46 2HZ LYS 46 10.008 4.795 3.953 370 HZ3 LYS 46 3HZ LYS 46 11.530 5.374 3.474 371 H THR 47 H THR 47 7.585 0.089 -0.638 372 HA THR 47 HA THR 47 9.185 -2.226 -0.950 373 HB THR 47 HB THR 47 6.164 -1.988 -0.876 374 HG1 THR 47 1HG THR 47 6.999 -1.218 1.037 375 HG21 THR 47 1HG2 THR 47 6.177 -4.329 -0.183 376 HG22 THR 47 2HG2 THR 47 7.930 -4.383 -0.366 377 HG23 THR 47 3HG2 THR 47 6.904 -4.143 -1.780 378 H TYR 48 H TYR 48 6.605 -0.812 -2.953 379 HA TYR 48 HA TYR 48 6.646 -2.748 -4.980 380 HD1 TYR 48 1HD TYR 48 4.862 -2.948 -6.865 381 HD2 TYR 48 2HD TYR 48 5.988 1.150 -7.080 382 HE1 TYR 48 1HE TYR 48 4.519 -2.984 -9.300 383 HE2 TYR 48 2HE TYR 48 5.653 1.123 -9.515 384 HH TYR 48 HH TYR 48 4.066 -1.456 -11.120 385 HB2 TYR 48 2HB TYR 48 4.777 -1.259 -4.836 386 HB3 TYR 48 1HB TYR 48 5.812 0.154 -5.008 387 H GLU 49 H GLU 49 8.355 0.355 -4.710 388 HA GLU 49 HA GLU 49 9.624 0.268 -7.204 389 HB2 GLU 49 2HB GLU 49 10.241 1.668 -4.617 390 HB3 GLU 49 1HB GLU 49 11.275 1.848 -6.018 391 HG2 GLU 49 2HG GLU 49 8.362 2.558 -5.834 392 HG3 GLU 49 1HG GLU 49 9.717 3.682 -5.901 393 H ALA 50 H ALA 50 10.509 -1.118 -4.088 394 HA ALA 50 HA ALA 50 13.136 -1.907 -4.814 395 HB1 ALA 50 1HB ALA 50 11.300 -3.119 -2.745 396 HB2 ALA 50 2HB ALA 50 12.408 -1.775 -2.474 397 HB3 ALA 50 3HB ALA 50 13.042 -3.374 -2.864 398 H TYR 51 H TYR 51 10.036 -3.667 -4.767 399 HA TYR 51 HA TYR 51 11.059 -6.030 -5.934 400 HD1 TYR 51 2HD TYR 51 8.658 -4.898 -3.189 401 HD2 TYR 51 1HD TYR 51 9.178 -8.423 -5.503 402 HE1 TYR 51 2HE TYR 51 8.611 -6.245 -1.134 403 HE2 TYR 51 1HE TYR 51 9.136 -9.784 -3.457 404 HH TYR 51 HH TYR 51 8.242 -8.450 -0.386 405 HB2 TYR 51 2HB TYR 51 8.296 -4.893 -5.617 406 HB3 TYR 51 1HB TYR 51 8.560 -6.353 -6.559 407 H ARG 52 H ARG 52 9.780 -3.049 -7.269 408 HA ARG 52 HA ARG 52 9.538 -3.775 -9.948 409 HE ARG 52 HE ARG 52 11.200 0.346 -12.576 410 HB2 ARG 52 2HB ARG 52 8.750 -1.624 -9.309 411 HB3 ARG 52 1HB ARG 52 10.314 -1.172 -8.637 412 HG2 ARG 52 2HG ARG 52 11.156 -1.498 -11.069 413 HG3 ARG 52 1HG ARG 52 9.453 -1.324 -11.487 414 HD2 ARG 52 2HD ARG 52 9.356 0.858 -10.590 415 HD3 ARG 52 1HD ARG 52 10.905 0.667 -9.767 416 HH11 ARG 52 1HH1 ARG 52 10.765 2.808 -10.095 417 HH12 ARG 52 2HH1 ARG 52 11.558 4.051 -11.022 418 HH21 ARG 52 1HH2 ARG 52 12.268 1.972 -13.763 419 HH22 ARG 52 2HH2 ARG 52 12.437 3.569 -13.090 420 H GLN 53 H GLN 53 12.338 -2.296 -8.314 421 HA GLN 53 HA GLN 53 14.053 -2.441 -10.551 422 HB2 GLN 53 2HB GLN 53 14.427 -0.952 -8.605 423 HB3 GLN 53 1HB GLN 53 14.774 -2.357 -7.608 424 HG2 GLN 53 2HG GLN 53 16.824 -1.290 -8.269 425 HG3 GLN 53 1HG GLN 53 16.704 -2.871 -9.037 426 HE21 GLN 53 1HE2 GLN 53 18.097 -2.348 -10.682 427 HE22 GLN 53 2HE2 GLN 53 17.686 -1.252 -11.955 428 H LEU 54 H LEU 54 13.435 -4.631 -7.865 429 HA LEU 54 HA LEU 54 15.464 -6.497 -8.406 430 HG LEU 54 HG LEU 54 15.470 -8.332 -6.750 431 HB2 LEU 54 2HB LEU 54 13.947 -6.317 -6.358 432 HB3 LEU 54 1HB LEU 54 12.739 -7.167 -7.298 433 HD11 LEU 54 1HD1 LEU 54 14.390 -7.854 -4.617 434 HD12 LEU 54 2HD1 LEU 54 14.415 -9.590 -4.929 435 HD13 LEU 54 3HD1 LEU 54 12.926 -8.673 -5.162 436 HD21 LEU 54 1HD2 LEU 54 14.221 -9.357 -8.587 437 HD22 LEU 54 2HD2 LEU 54 12.837 -9.594 -7.519 438 HD23 LEU 54 3HD2 LEU 54 14.348 -10.451 -7.210 439 H ASP 55 H ASP 55 12.046 -6.437 -9.457 440 HA ASP 55 HA ASP 55 12.282 -8.824 -10.995 441 HB2 ASP 55 2HB ASP 55 10.130 -8.079 -10.069 442 HB3 ASP 55 1HB ASP 55 10.165 -6.664 -11.116 443 H GLU 56 H GLU 56 12.661 -5.419 -11.715 444 HA GLU 56 HA GLU 56 12.746 -5.639 -14.539 445 HB2 GLU 56 2HB GLU 56 13.606 -3.607 -12.539 446 HB3 GLU 56 1HB GLU 56 14.293 -3.493 -14.147 447 HG2 GLU 56 2HG GLU 56 11.926 -3.529 -15.025 448 HG3 GLU 56 1HG GLU 56 11.403 -3.322 -13.355 449 H PHE 57 H PHE 57 15.340 -5.459 -12.120 450 HA PHE 57 HA PHE 57 17.471 -5.837 -13.919 451 HD1 PHE 57 1HD PHE 57 19.545 -4.603 -13.282 452 HD2 PHE 57 2HD PHE 57 19.298 -7.827 -10.518 453 HE1 PHE 57 1HE PHE 57 21.985 -4.893 -13.410 454 HE2 PHE 57 2HE PHE 57 21.736 -8.126 -10.644 455 HZ PHE 57 HZ PHE 57 23.082 -6.660 -12.088 456 HB2 PHE 57 2HB PHE 57 17.589 -4.971 -11.545 457 HB3 PHE 57 1HB PHE 57 17.405 -6.633 -11.001 458 H ARG 58 H ARG 58 15.464 -8.049 -12.095 459 HA ARG 58 HA ARG 58 16.901 -10.411 -12.745 460 HE ARG 58 HE ARG 58 12.780 -14.097 -11.093 461 HB2 ARG 58 2HB ARG 58 15.476 -10.346 -10.800 462 HB3 ARG 58 1HB ARG 58 14.074 -9.966 -11.787 463 HG2 ARG 58 2HG ARG 58 13.996 -12.132 -12.692 464 HG3 ARG 58 1HG ARG 58 15.607 -12.525 -12.087 465 HD2 ARG 58 2HD ARG 58 14.807 -12.433 -9.805 466 HD3 ARG 58 1HD ARG 58 13.212 -11.927 -10.358 467 HH11 ARG 58 1HH1 ARG 58 16.035 -13.829 -9.832 468 HH12 ARG 58 2HH1 ARG 58 16.227 -15.533 -9.571 469 HH21 ARG 58 1HH2 ARG 58 13.000 -16.339 -10.717 470 HH22 ARG 58 2HH2 ARG 58 14.498 -16.968 -10.095 471 H LYS 59 H LYS 59 14.069 -8.800 -14.135 472 HA LYS 59 HA LYS 59 13.301 -10.578 -16.071 473 HB2 LYS 59 2HB LYS 59 12.314 -8.312 -15.467 474 HB3 LYS 59 1HB LYS 59 13.559 -7.600 -16.486 475 HG2 LYS 59 2HG LYS 59 11.517 -7.775 -17.713 476 HG3 LYS 59 1HG LYS 59 12.700 -8.906 -18.381 477 HD2 LYS 59 2HD LYS 59 10.764 -10.158 -18.252 478 HD3 LYS 59 1HD LYS 59 11.635 -10.628 -16.811 479 HE2 LYS 59 2HE LYS 59 9.587 -8.433 -16.763 480 HE3 LYS 59 1HE LYS 59 9.125 -10.124 -16.587 481 HZ1 LYS 59 1HZ LYS 59 11.132 -8.793 -14.852 482 HZ2 LYS 59 2HZ LYS 59 10.418 -10.312 -14.623 483 HZ3 LYS 59 3HZ LYS 59 9.492 -8.904 -14.456 484 H SER 60 H SER 60 15.660 -7.988 -16.371 485 HA SER 60 HA SER 60 16.525 -8.469 -18.956 486 HG SER 60 HG SER 60 18.178 -6.301 -19.266 487 HB2 SER 60 2HB SER 60 17.047 -6.475 -17.473 488 HB3 SER 60 1HB SER 60 18.309 -7.466 -16.740 489 H THR 61 H THR 61 18.034 -9.619 -15.941 490 HA THR 61 HA THR 61 20.058 -11.048 -17.312 491 HB THR 61 HB THR 61 20.397 -10.263 -15.016 492 HG1 THR 61 1HG THR 61 20.713 -12.956 -15.725 493 HG21 THR 61 1HG2 THR 61 19.413 -11.468 -13.120 494 HG22 THR 61 2HG2 THR 61 18.430 -12.419 -14.235 495 HG23 THR 61 3HG2 THR 61 18.171 -10.680 -14.095 496 H ALA 62 H ALA 62 16.843 -11.959 -16.211 497 HA ALA 62 HA ALA 62 17.237 -14.775 -16.413 498 HB1 ALA 62 1HB ALA 62 14.795 -14.932 -16.308 499 HB2 ALA 62 2HB ALA 62 14.672 -13.186 -16.525 500 HB3 ALA 62 3HB ALA 62 15.428 -13.844 -15.074 501 H SER 63 H SER 63 16.447 -12.263 -18.677 502 HA SER 63 HA SER 63 15.555 -13.979 -20.776 503 HG SER 63 HG SER 63 14.953 -11.180 -19.607 504 HB2 SER 63 2HB SER 63 16.747 -11.199 -21.000 505 HB3 SER 63 1HB SER 63 15.755 -12.019 -22.207 506 H LEU 64 H LEU 64 18.650 -12.465 -19.943 507 HA LEU 64 HA LEU 64 20.071 -13.610 -22.134 508 HG LEU 64 HG LEU 64 22.073 -10.677 -21.181 509 HB2 LEU 64 2HB LEU 64 20.856 -12.165 -19.637 510 HB3 LEU 64 1HB LEU 64 22.084 -12.997 -20.567 511 HD11 LEU 64 1HD1 LEU 64 20.803 -12.348 -23.343 512 HD12 LEU 64 2HD1 LEU 64 22.522 -12.277 -22.956 513 HD13 LEU 64 3HD1 LEU 64 21.701 -10.849 -23.587 514 HD21 LEU 64 1HD2 LEU 64 20.111 -9.609 -22.208 515 HD22 LEU 64 2HD2 LEU 64 19.821 -10.063 -20.529 516 HD23 LEU 64 3HD2 LEU 64 19.150 -11.042 -21.834 517 H GLU 65 H GLU 65 19.348 -14.609 -18.883 518 HA GLU 65 HA GLU 65 21.178 -16.782 -18.761 519 HB2 GLU 65 2HB GLU 65 19.945 -15.664 -16.821 520 HB3 GLU 65 1HB GLU 65 18.544 -16.602 -17.303 521 HG2 GLU 65 2HG GLU 65 20.072 -18.644 -17.088 522 HG3 GLU 65 1HG GLU 65 21.155 -17.572 -16.203 523 H HIS 66 H HIS 66 18.385 -16.210 -20.477 524 HA HIS 66 HA HIS 66 17.097 -17.430 -21.903 525 HD1 HIS 66 1HD HIS 66 17.741 -21.644 -22.462 526 HD2 HIS 66 2HD HIS 66 17.631 -18.172 -24.747 527 HE1 HIS 66 1HE HIS 66 16.690 -22.304 -24.651 528 HE2 HIS 66 2HE HIS 66 16.913 -20.251 -26.099 529 HB2 HIS 66 2HB HIS 66 19.393 -18.414 -22.440 530 HB3 HIS 66 1HB HIS 66 18.959 -19.748 -21.387 531 H HIS 67 H HIS 67 16.811 -17.410 -18.947 532 HA HIS 67 HA HIS 67 15.716 -20.003 -18.262 533 HD1 HIS 67 1HD HIS 67 13.899 -17.916 -14.895 534 HD2 HIS 67 2HD HIS 67 16.272 -21.238 -15.704 535 HE1 HIS 67 1HE HIS 67 13.216 -19.664 -13.221 536 HE2 HIS 67 2HE HIS 67 14.528 -21.722 -13.852 537 HB2 HIS 67 2HB HIS 67 16.992 -18.520 -16.651 538 HB3 HIS 67 1HB HIS 67 15.595 -17.451 -16.645 539 H HIS 68 H HIS 68 14.605 -16.895 -19.332 540 HA HIS 68 HA HIS 68 11.828 -17.857 -19.132 541 HD1 HIS 68 1HD HIS 68 11.226 -13.621 -20.478 542 HD2 HIS 68 2HD HIS 68 9.314 -16.609 -18.295 543 HE1 HIS 68 1HE HIS 68 8.762 -13.245 -20.820 544 HE2 HIS 68 2HE HIS 68 7.618 -15.082 -19.528 545 HB2 HIS 68 2HB HIS 68 12.166 -15.831 -17.803 546 HB3 HIS 68 1HB HIS 68 12.834 -15.001 -19.204 547 H HIS 69 H HIS 69 11.486 -18.813 -21.035 548 HA HIS 69 HA HIS 69 11.213 -17.244 -23.380 549 HD1 HIS 69 1HD HIS 69 13.157 -16.034 -25.283 550 HD2 HIS 69 2HD HIS 69 12.728 -20.073 -26.182 551 HE1 HIS 69 1HE HIS 69 13.052 -16.163 -27.793 552 HE2 HIS 69 2HE HIS 69 12.595 -18.590 -28.302 553 HB2 HIS 69 2HB HIS 69 13.724 -17.683 -23.313 554 HB3 HIS 69 1HB HIS 69 13.342 -19.383 -23.569 555 H HIS 70 H HIS 70 11.569 -20.477 -22.006 556 HA HIS 70 HA HIS 70 8.998 -21.225 -23.109 557 HD1 HIS 70 1HD HIS 70 10.876 -23.496 -26.588 558 HD2 HIS 70 2HD HIS 70 7.850 -21.296 -24.765 559 HE1 HIS 70 1HE HIS 70 9.144 -23.113 -28.371 560 HE2 HIS 70 2HE HIS 70 7.237 -21.962 -27.191 561 HB2 HIS 70 2HB HIS 70 11.497 -22.180 -24.258 562 HB3 HIS 70 1HB HIS 70 10.503 -23.504 -23.665 563 H HIS 71 H HIS 71 7.911 -22.430 -21.677 564 HA HIS 71 HA HIS 71 9.365 -24.255 -19.922 565 HD1 HIS 71 1HD HIS 71 8.884 -20.368 -17.672 566 HD2 HIS 71 2HD HIS 71 10.856 -24.018 -18.019 567 HE1 HIS 71 1HE HIS 71 11.141 -20.025 -16.618 568 HE2 HIS 71 2HE HIS 71 12.290 -22.270 -16.765 569 HB2 HIS 71 2HB HIS 71 7.574 -22.027 -18.989 570 HB3 HIS 71 1HB HIS 71 7.684 -23.519 -18.062 571 HA MET 1 HA MET 1 -30.648 24.012 5.564 572 H1 MET 1 1H MET 1 -33.059 23.525 7.210 573 H2 MET 1 2H MET 1 -32.999 24.209 5.664 574 H3 MET 1 3H MET 1 -32.336 25.044 6.984 575 HB2 MET 1 2HB MET 1 -29.342 23.079 7.367 576 HB3 MET 1 1HB MET 1 -30.284 24.419 8.006 577 HG2 MET 1 2HG MET 1 -31.904 22.827 8.929 578 HG3 MET 1 1HG MET 1 -30.940 21.494 8.299 579 HE1 MET 1 1HE MET 1 -30.678 20.288 10.595 580 HE2 MET 1 2HE MET 1 -31.772 21.492 11.276 581 HE3 MET 1 3HE MET 1 -30.256 21.116 12.094 582 H SER 2 H SER 2 -29.630 22.079 4.849 583 HA SER 2 HA SER 2 -31.307 19.660 5.028 584 HG SER 2 HG SER 2 -31.213 21.513 2.002 585 HB2 SER 2 2HB SER 2 -29.546 20.480 2.703 586 HB3 SER 2 1HB SER 2 -30.570 19.044 2.784 587 H GLU 3 H GLU 3 -29.959 17.636 4.574 588 HA GLU 3 HA GLU 3 -28.223 16.236 5.022 589 HB2 GLU 3 2HB GLU 3 -26.737 17.886 3.935 590 HB3 GLU 3 1HB GLU 3 -26.573 18.738 5.462 591 HG2 GLU 3 2HG GLU 3 -25.580 16.648 6.418 592 HG3 GLU 3 1HG GLU 3 -25.583 15.977 4.787 593 H GLY 4 H GLY 4 -27.362 15.226 6.866 594 HA2 GLY 4 2HA GLY 4 -27.242 16.453 9.410 595 HA3 GLY 4 1HA GLY 4 -28.784 15.628 9.220 596 H ALA 5 H ALA 5 -27.924 14.378 11.068 597 HA ALA 5 HA ALA 5 -25.623 12.795 10.948 598 HB1 ALA 5 1HB ALA 5 -26.563 11.549 12.807 599 HB2 ALA 5 2HB ALA 5 -28.160 12.225 12.483 600 HB3 ALA 5 3HB ALA 5 -26.852 13.276 13.022 601 H GLU 6 H GLU 6 -28.783 12.275 9.559 602 HA GLU 6 HA GLU 6 -28.562 9.500 9.061 603 HB2 GLU 6 2HB GLU 6 -29.992 11.557 7.356 604 HB3 GLU 6 1HB GLU 6 -30.313 9.832 7.411 605 HG2 GLU 6 2HG GLU 6 -30.710 11.721 9.712 606 HG3 GLU 6 1HG GLU 6 -31.982 11.186 8.615 607 H GLU 7 H GLU 7 -27.772 12.333 7.092 608 HA GLU 7 HA GLU 7 -26.697 10.907 4.888 609 HB2 GLU 7 2HB GLU 7 -27.491 13.343 4.982 610 HB3 GLU 7 1HB GLU 7 -25.945 13.706 5.730 611 HG2 GLU 7 2HG GLU 7 -25.817 14.201 3.396 612 HG3 GLU 7 1HG GLU 7 -24.808 12.797 3.743 613 H LEU 8 H LEU 8 -25.382 12.266 7.832 614 HA LEU 8 HA LEU 8 -22.656 11.881 7.310 615 HG LEU 8 HG LEU 8 -24.277 14.122 8.668 616 HB2 LEU 8 2HB LEU 8 -24.234 11.986 9.875 617 HB3 LEU 8 1HB LEU 8 -22.497 11.976 9.810 618 HD11 LEU 8 1HD1 LEU 8 -22.449 14.128 11.066 619 HD12 LEU 8 2HD1 LEU 8 -24.213 14.126 11.105 620 HD13 LEU 8 3HD1 LEU 8 -23.346 15.514 10.446 621 HD21 LEU 8 1HD2 LEU 8 -22.241 13.849 7.351 622 HD22 LEU 8 2HD2 LEU 8 -21.267 13.954 8.817 623 HD23 LEU 8 3HD2 LEU 8 -22.196 15.351 8.274 624 H LYS 9 H LYS 9 -25.066 9.873 8.957 625 HA LYS 9 HA LYS 9 -23.314 7.753 9.578 626 HB2 LYS 9 2HB LYS 9 -26.069 8.389 9.928 627 HB3 LYS 9 1HB LYS 9 -25.969 6.763 9.276 628 HG2 LYS 9 2HG LYS 9 -26.001 6.758 11.713 629 HG3 LYS 9 1HG LYS 9 -24.474 6.121 11.097 630 HD2 LYS 9 2HD LYS 9 -23.434 8.328 11.462 631 HD3 LYS 9 1HD LYS 9 -24.956 8.914 12.133 632 HE2 LYS 9 2HE LYS 9 -24.819 7.251 13.915 633 HE3 LYS 9 1HE LYS 9 -23.310 6.641 13.235 634 HZ1 LYS 9 1HZ LYS 9 -23.723 9.411 14.233 635 HZ2 LYS 9 2HZ LYS 9 -22.269 8.749 13.676 636 HZ3 LYS 9 3HZ LYS 9 -22.966 8.165 15.106 637 H ALA 10 H ALA 10 -25.415 8.365 6.806 638 HA ALA 10 HA ALA 10 -24.980 5.883 5.523 639 HB1 ALA 10 1HB ALA 10 -25.846 6.973 3.524 640 HB2 ALA 10 2HB ALA 10 -25.657 8.551 4.285 641 HB3 ALA 10 3HB ALA 10 -26.821 7.395 4.932 642 H LYS 11 H LYS 11 -23.299 8.975 5.416 643 HA LYS 11 HA LYS 11 -21.458 8.297 3.372 644 HB2 LYS 11 2HB LYS 11 -22.137 10.559 4.790 645 HB3 LYS 11 1HB LYS 11 -20.541 10.194 5.413 646 HG2 LYS 11 2HG LYS 11 -21.184 10.493 2.490 647 HG3 LYS 11 1HG LYS 11 -20.593 11.799 3.511 648 HD2 LYS 11 2HD LYS 11 -18.565 10.439 3.978 649 HD3 LYS 11 1HD LYS 11 -19.157 9.234 2.830 650 HE2 LYS 11 2HE LYS 11 -19.155 10.931 1.058 651 HE3 LYS 11 1HE LYS 11 -18.554 12.126 2.205 652 HZ1 LYS 11 1HZ LYS 11 -16.738 11.299 0.918 653 HZ2 LYS 11 2HZ LYS 11 -17.134 9.691 1.267 654 HZ3 LYS 11 3HZ LYS 11 -16.566 10.712 2.498 655 H LEU 12 H LEU 12 -21.302 8.246 6.911 656 HA LEU 12 HA LEU 12 -18.686 7.266 7.167 657 HG LEU 12 HG LEU 12 -19.175 5.378 9.608 658 HB2 LEU 12 2HB LEU 12 -19.972 8.231 9.022 659 HB3 LEU 12 1HB LEU 12 -21.068 6.863 8.980 660 HD11 LEU 12 1HD1 LEU 12 -17.346 6.750 8.752 661 HD12 LEU 12 2HD1 LEU 12 -17.119 6.373 10.461 662 HD13 LEU 12 3HD1 LEU 12 -17.685 7.972 9.979 663 HD21 LEU 12 1HD2 LEU 12 -19.084 6.082 11.944 664 HD22 LEU 12 2HD2 LEU 12 -20.717 6.237 11.295 665 HD23 LEU 12 3HD2 LEU 12 -19.708 7.669 11.496 666 H LYS 13 H LYS 13 -21.794 5.597 6.902 667 HA LYS 13 HA LYS 13 -20.911 2.973 7.284 668 HB2 LYS 13 2HB LYS 13 -23.282 3.669 7.187 669 HB3 LYS 13 1HB LYS 13 -23.125 3.938 5.463 670 HG2 LYS 13 2HG LYS 13 -24.222 1.824 5.903 671 HG3 LYS 13 1HG LYS 13 -22.657 1.559 5.132 672 HD2 LYS 13 2HD LYS 13 -21.663 1.013 7.285 673 HD3 LYS 13 1HD LYS 13 -23.192 1.353 8.096 674 HE2 LYS 13 2HE LYS 13 -24.250 -0.471 6.862 675 HE3 LYS 13 1HE LYS 13 -22.726 -0.808 6.044 676 HZ1 LYS 13 1HZ LYS 13 -21.734 -1.417 8.118 677 HZ2 LYS 13 2HZ LYS 13 -23.180 -2.292 7.944 678 HZ3 LYS 13 3HZ LYS 13 -23.118 -0.950 8.985 679 H LYS 14 H LYS 14 -21.241 4.859 4.331 680 HA LYS 14 HA LYS 14 -20.419 2.934 2.489 681 HB2 LYS 14 2HB LYS 14 -21.450 5.225 2.057 682 HB3 LYS 14 1HB LYS 14 -19.832 5.882 2.247 683 HG2 LYS 14 2HG LYS 14 -20.347 5.590 -0.091 684 HG3 LYS 14 1HG LYS 14 -19.058 4.482 0.386 685 HD2 LYS 14 2HD LYS 14 -20.608 2.646 0.501 686 HD3 LYS 14 1HD LYS 14 -21.974 3.726 0.212 687 HE2 LYS 14 2HE LYS 14 -21.389 2.516 -1.816 688 HE3 LYS 14 1HE LYS 14 -21.085 4.242 -2.013 689 HZ1 LYS 14 1HZ LYS 14 -19.037 2.168 -1.420 690 HZ2 LYS 14 2HZ LYS 14 -18.733 3.830 -1.574 691 HZ3 LYS 14 3HZ LYS 14 -19.278 2.942 -2.911 692 H LEU 15 H LEU 15 -18.507 5.388 4.197 693 HA LEU 15 HA LEU 15 -16.010 4.634 3.092 694 HG LEU 15 HG LEU 15 -14.833 6.845 3.249 695 HB2 LEU 15 2HB LEU 15 -16.912 6.311 5.372 696 HB3 LEU 15 1HB LEU 15 -15.249 5.759 5.391 697 HD11 LEU 15 1HD1 LEU 15 -16.497 8.280 2.205 698 HD12 LEU 15 2HD1 LEU 15 -17.689 7.795 3.413 699 HD13 LEU 15 3HD1 LEU 15 -17.061 6.609 2.268 700 HD21 LEU 15 1HD2 LEU 15 -16.140 8.627 5.294 701 HD22 LEU 15 2HD2 LEU 15 -15.081 9.174 3.994 702 HD23 LEU 15 3HD2 LEU 15 -14.450 8.120 5.259 703 H ASN 16 H ASN 16 -17.704 3.705 6.035 704 HA ASN 16 HA ASN 16 -15.654 2.271 7.287 705 HB2 ASN 16 2HB ASN 16 -17.790 2.926 8.364 706 HB3 ASN 16 1HB ASN 16 -18.633 1.727 7.390 707 HD21 ASN 16 1HD2 ASN 16 -16.537 2.270 10.086 708 HD22 ASN 16 2HD2 ASN 16 -16.575 0.658 10.703 709 H ALA 17 H ALA 17 -18.178 1.162 5.048 710 HA ALA 17 HA ALA 17 -17.359 -1.560 5.068 711 HB1 ALA 17 1HB ALA 17 -18.883 -1.843 3.202 712 HB2 ALA 17 2HB ALA 17 -18.990 -0.094 2.996 713 HB3 ALA 17 3HB ALA 17 -19.628 -0.851 4.456 714 H GLN 18 H GLN 18 -16.522 1.212 3.080 715 HA GLN 18 HA GLN 18 -15.132 -0.289 1.091 716 HB2 GLN 18 2HB GLN 18 -16.071 2.014 0.758 717 HB3 GLN 18 1HB GLN 18 -14.784 2.635 1.784 718 HG2 GLN 18 2HG GLN 18 -13.117 1.843 0.214 719 HG3 GLN 18 1HG GLN 18 -14.379 1.139 -0.796 720 HE21 GLN 18 1HE2 GLN 18 -12.816 4.067 0.214 721 HE22 GLN 18 2HE2 GLN 18 -13.526 5.099 -0.975 722 H ALA 19 H ALA 19 -14.128 1.573 3.937 723 HA ALA 19 HA ALA 19 -11.356 1.243 3.617 724 HB1 ALA 19 1HB ALA 19 -11.177 1.906 5.948 725 HB2 ALA 19 2HB ALA 19 -12.902 1.619 6.178 726 HB3 ALA 19 3HB ALA 19 -12.359 2.913 5.109 727 H THR 20 H THR 20 -13.779 -0.745 5.265 728 HA THR 20 HA THR 20 -11.952 -2.526 6.478 729 HB THR 20 HB THR 20 -14.824 -3.048 5.671 730 HG1 THR 20 1HG THR 20 -14.951 -1.425 7.106 731 HG21 THR 20 1HG2 THR 20 -13.612 -5.120 6.168 732 HG22 THR 20 2HG2 THR 20 -14.778 -4.755 7.440 733 HG23 THR 20 3HG2 THR 20 -13.061 -4.440 7.699 734 H ALA 21 H ALA 21 -13.540 -2.515 3.321 735 HA ALA 21 HA ALA 21 -12.735 -5.082 2.488 736 HB1 ALA 21 1HB ALA 21 -13.197 -4.309 0.220 737 HB2 ALA 21 2HB ALA 21 -13.254 -2.640 0.792 738 HB3 ALA 21 3HB ALA 21 -14.467 -3.799 1.333 739 H LEU 22 H LEU 22 -11.266 -1.886 1.941 740 HA LEU 22 HA LEU 22 -8.979 -2.815 0.590 741 HG LEU 22 HG LEU 22 -9.101 0.818 -0.040 742 HB2 LEU 22 2HB LEU 22 -9.681 -0.312 2.055 743 HB3 LEU 22 1HB LEU 22 -8.008 -0.585 1.616 744 HD11 LEU 22 1HD1 LEU 22 -8.611 -0.484 -2.054 745 HD12 LEU 22 2HD1 LEU 22 -8.538 -1.952 -1.079 746 HD13 LEU 22 3HD1 LEU 22 -7.360 -0.664 -0.827 747 HD21 LEU 22 1HD2 LEU 22 -10.917 -0.038 -1.439 748 HD22 LEU 22 2HD2 LEU 22 -11.399 0.077 0.254 749 HD23 LEU 22 3HD2 LEU 22 -10.998 -1.491 -0.444 750 H LYS 23 H LYS 23 -9.691 -2.371 3.990 751 HA LYS 23 HA LYS 23 -7.176 -2.680 5.111 752 HB2 LYS 23 2HB LYS 23 -9.132 -2.033 6.407 753 HB3 LYS 23 1HB LYS 23 -9.863 -3.609 6.146 754 HG2 LYS 23 2HG LYS 23 -8.168 -4.670 7.488 755 HG3 LYS 23 1HG LYS 23 -7.297 -3.145 7.656 756 HD2 LYS 23 2HD LYS 23 -9.326 -2.206 8.779 757 HD3 LYS 23 1HD LYS 23 -10.023 -3.828 8.749 758 HE2 LYS 23 2HE LYS 23 -8.154 -4.662 10.076 759 HE3 LYS 23 1HE LYS 23 -7.430 -3.053 10.084 760 HZ1 LYS 23 1HZ LYS 23 -9.389 -2.235 11.264 761 HZ2 LYS 23 2HZ LYS 23 -8.614 -3.469 12.132 762 HZ3 LYS 23 3HZ LYS 23 -10.044 -3.801 11.282 763 H MET 24 H MET 24 -9.593 -5.225 4.489 764 HA MET 24 HA MET 24 -7.810 -7.302 5.304 765 HB2 MET 24 2HB MET 24 -9.561 -8.838 4.518 766 HB3 MET 24 1HB MET 24 -10.220 -7.569 5.542 767 HG2 MET 24 2HG MET 24 -10.897 -6.355 3.468 768 HG3 MET 24 1HG MET 24 -10.393 -7.767 2.544 769 HE1 MET 24 1HE MET 24 -11.474 -10.194 2.898 770 HE2 MET 24 2HE MET 24 -12.828 -10.505 3.985 771 HE3 MET 24 3HE MET 24 -11.254 -10.062 4.643 772 H ASP 25 H ASP 25 -8.620 -5.806 2.251 773 HA ASP 25 HA ASP 25 -7.548 -7.811 0.563 774 HB2 ASP 25 2HB ASP 25 -9.128 -6.112 -0.235 775 HB3 ASP 25 1HB ASP 25 -7.926 -4.857 0.045 776 H LEU 26 H LEU 26 -6.184 -4.807 1.882 777 HA LEU 26 HA LEU 26 -3.621 -5.099 0.703 778 HG LEU 26 HG LEU 26 -1.983 -3.938 3.096 779 HB2 LEU 26 2HB LEU 26 -4.420 -2.966 1.601 780 HB3 LEU 26 1HB LEU 26 -4.457 -3.645 3.216 781 HD11 LEU 26 1HD1 LEU 26 -2.240 -2.314 0.568 782 HD12 LEU 26 2HD1 LEU 26 -1.754 -4.006 0.662 783 HD13 LEU 26 3HD1 LEU 26 -0.735 -2.754 1.374 784 HD21 LEU 26 1HD2 LEU 26 -2.986 -2.017 4.217 785 HD22 LEU 26 2HD2 LEU 26 -3.001 -1.127 2.695 786 HD23 LEU 26 3HD2 LEU 26 -1.466 -1.575 3.439 787 H HIS 27 H HIS 27 -4.945 -6.018 3.843 788 HA HIS 27 HA HIS 27 -2.687 -7.066 5.062 789 HD1 HIS 27 1HD HIS 27 -5.400 -10.424 5.582 790 HD2 HIS 27 2HD HIS 27 -3.013 -8.166 8.147 791 HE1 HIS 27 1HE HIS 27 -4.586 -12.023 7.349 792 HE2 HIS 27 2HE HIS 27 -2.959 -10.685 8.736 793 HB2 HIS 27 2HB HIS 27 -4.729 -6.843 6.303 794 HB3 HIS 27 1HB HIS 27 -5.588 -7.911 5.200 795 H ASP 28 H ASP 28 -5.047 -8.753 3.012 796 HA ASP 28 HA ASP 28 -3.626 -11.215 3.102 797 HB2 ASP 28 2HB ASP 28 -5.972 -10.220 1.518 798 HB3 ASP 28 1HB ASP 28 -5.247 -11.791 1.182 799 H LEU 29 H LEU 29 -3.509 -8.449 0.977 800 HA LEU 29 HA LEU 29 -2.115 -9.704 -1.145 801 HG LEU 29 HG LEU 29 -0.159 -7.356 -1.830 802 HB2 LEU 29 2HB LEU 29 -3.146 -7.483 -1.352 803 HB3 LEU 29 1HB LEU 29 -1.977 -6.831 -0.219 804 HD11 LEU 29 1HD1 LEU 29 -1.209 -9.197 -3.026 805 HD12 LEU 29 2HD1 LEU 29 -0.741 -7.917 -4.147 806 HD13 LEU 29 3HD1 LEU 29 -2.430 -8.101 -3.671 807 HD21 LEU 29 1HD2 LEU 29 -0.723 -5.598 -3.447 808 HD22 LEU 29 2HD2 LEU 29 -1.121 -5.136 -1.790 809 HD23 LEU 29 3HD2 LEU 29 -2.396 -5.647 -2.895 810 H ALA 30 H ALA 30 -1.098 -8.293 1.909 811 HA ALA 30 HA ALA 30 1.702 -8.528 1.441 812 HB1 ALA 30 1HB ALA 30 0.219 -8.395 4.064 813 HB2 ALA 30 2HB ALA 30 0.767 -7.010 3.123 814 HB3 ALA 30 3HB ALA 30 1.946 -8.117 3.825 815 H GLU 31 H GLU 31 -0.685 -10.587 3.073 816 HA GLU 31 HA GLU 31 1.114 -12.562 3.955 817 HB2 GLU 31 2HB GLU 31 -1.828 -12.774 3.306 818 HB3 GLU 31 1HB GLU 31 -0.899 -13.957 4.203 819 HG2 GLU 31 2HG GLU 31 -1.435 -11.126 5.052 820 HG3 GLU 31 1HG GLU 31 -2.216 -12.571 5.688 821 H ASP 32 H ASP 32 -0.248 -11.886 0.883 822 HA ASP 32 HA ASP 32 0.792 -14.424 -0.184 823 HB2 ASP 32 2HB ASP 32 -1.733 -14.135 -0.294 824 HB3 ASP 32 1HB ASP 32 -1.447 -12.822 -1.431 825 H LEU 33 H LEU 33 2.140 -11.936 0.296 826 HA LEU 33 HA LEU 33 2.562 -10.240 -1.742 827 HG LEU 33 HG LEU 33 2.949 -9.003 0.521 828 HB2 LEU 33 2HB LEU 33 4.161 -11.133 0.495 829 HB3 LEU 33 1HB LEU 33 5.134 -10.574 -0.857 830 HD11 LEU 33 1HD1 LEU 33 5.940 -8.659 0.489 831 HD12 LEU 33 2HD1 LEU 33 4.950 -9.143 1.866 832 HD13 LEU 33 3HD1 LEU 33 4.790 -7.521 1.191 833 HD21 LEU 33 1HD2 LEU 33 3.614 -7.155 -0.932 834 HD22 LEU 33 2HD2 LEU 33 3.029 -8.522 -1.882 835 HD23 LEU 33 3HD2 LEU 33 4.760 -8.209 -1.762 836 HA PRO 34 HA PRO 34 4.753 -9.600 -4.891 837 HB2 PRO 34 2HB PRO 34 5.297 -12.539 -5.239 838 HB3 PRO 34 1HB PRO 34 5.936 -11.177 -6.182 839 HG2 PRO 34 2HG PRO 34 7.127 -12.209 -3.853 840 HG3 PRO 34 1HG PRO 34 7.456 -10.612 -4.546 841 HD2 PRO 34 2HD PRO 34 6.276 -11.076 -2.028 842 HD3 PRO 34 1HD PRO 34 6.169 -9.542 -2.936 843 H THR 35 H THR 35 3.394 -12.807 -5.494 844 HA THR 35 HA THR 35 1.835 -13.134 -7.211 845 HB THR 35 HB THR 35 0.189 -12.048 -4.924 846 HG1 THR 35 1HG THR 35 0.212 -14.144 -4.186 847 HG21 THR 35 1HG2 THR 35 -1.613 -13.448 -5.818 848 HG22 THR 35 2HG2 THR 35 -0.591 -13.908 -7.180 849 HG23 THR 35 3HG2 THR 35 -1.118 -12.233 -6.998 850 H GLY 36 H GLY 36 0.153 -10.345 -5.814 851 HA2 GLY 36 2HA GLY 36 0.174 -9.078 -8.477 852 HA3 GLY 36 1HA GLY 36 -1.125 -8.904 -7.312 853 H TRP 37 H TRP 37 2.396 -8.624 -6.973 854 HA TRP 37 HA TRP 37 2.321 -6.526 -5.156 855 HD1 TRP 37 HD TRP 37 5.836 -5.261 -7.487 856 HE1 TRP 37 1HE TRP 37 6.807 -6.192 -9.680 857 HE3 TRP 37 3HE TRP 37 3.841 -9.966 -7.324 858 HZ2 TRP 37 2HZ TRP 37 6.741 -8.603 -11.144 859 HZ3 TRP 37 3HZ TRP 37 4.348 -11.524 -9.159 860 HH2 TRP 37 HH TRP 37 5.769 -10.856 -11.032 861 HB2 TRP 37 2HB TRP 37 4.695 -6.381 -5.403 862 HB3 TRP 37 1HB TRP 37 4.243 -8.076 -5.519 863 H ASN 38 H ASN 38 2.041 -6.427 -8.592 864 HA ASN 38 HA ASN 38 2.983 -3.794 -9.002 865 HB2 ASN 38 2HB ASN 38 2.521 -5.524 -10.805 866 HB3 ASN 38 1HB ASN 38 0.813 -5.143 -10.612 867 HD21 ASN 38 1HD2 ASN 38 0.592 -4.349 -12.694 868 HD22 ASN 38 2HD2 ASN 38 1.293 -2.841 -13.190 869 H ARG 39 H ARG 39 0.095 -5.064 -7.616 870 HA ARG 39 HA ARG 39 -1.351 -2.558 -7.967 871 HE ARG 39 HE ARG 39 -4.529 -6.329 -10.396 872 HB2 ARG 39 2HB ARG 39 -2.143 -5.247 -6.885 873 HB3 ARG 39 1HB ARG 39 -3.178 -3.840 -6.768 874 HG2 ARG 39 2HG ARG 39 -2.956 -3.670 -9.300 875 HG3 ARG 39 1HG ARG 39 -2.297 -5.308 -9.221 876 HD2 ARG 39 2HD ARG 39 -4.332 -6.037 -8.042 877 HD3 ARG 39 1HD ARG 39 -4.992 -4.411 -8.206 878 HH11 ARG 39 1HH1 ARG 39 -5.875 -3.298 -9.254 879 HH12 ARG 39 2HH1 ARG 39 -6.989 -3.149 -10.583 880 HH21 ARG 39 1HH2 ARG 39 -5.955 -6.123 -12.149 881 HH22 ARG 39 2HH2 ARG 39 -7.054 -4.778 -12.221 882 H ILE 40 H ILE 40 0.920 -3.588 -5.855 883 HA ILE 40 HA ILE 40 -0.163 -3.204 -3.316 884 HB ILE 40 HB ILE 40 2.637 -2.639 -4.298 885 HG12 ILE 40 2HG1 ILE 40 1.458 -4.930 -2.708 886 HG13 ILE 40 1HG1 ILE 40 1.934 -4.987 -4.405 887 HG21 ILE 40 1HG2 ILE 40 3.315 -2.628 -1.933 888 HG22 ILE 40 2HG2 ILE 40 1.617 -2.698 -1.458 889 HG23 ILE 40 3HG2 ILE 40 2.233 -1.289 -2.321 890 HD11 ILE 40 1HD1 ILE 40 3.771 -4.549 -2.058 891 HD12 ILE 40 2HD1 ILE 40 4.258 -4.593 -3.753 892 HD13 ILE 40 3HD1 ILE 40 3.595 -6.036 -2.988 893 H MET 41 H MET 41 1.211 -0.823 -5.556 894 HA MET 41 HA MET 41 0.918 1.374 -3.781 895 HB2 MET 41 2HB MET 41 2.497 1.410 -5.669 896 HB3 MET 41 1HB MET 41 1.151 1.375 -6.797 897 HG2 MET 41 2HG MET 41 0.403 3.538 -6.050 898 HG3 MET 41 1HG MET 41 1.638 3.568 -4.795 899 HE1 MET 41 1HE MET 41 4.134 2.329 -6.351 900 HE2 MET 41 2HE MET 41 4.257 3.745 -5.305 901 HE3 MET 41 3HE MET 41 4.925 3.794 -6.935 902 H GLU 42 H GLU 42 -1.126 -0.018 -6.299 903 HA GLU 42 HA GLU 42 -3.072 2.000 -6.435 904 HB2 GLU 42 2HB GLU 42 -2.903 0.081 -8.021 905 HB3 GLU 42 1HB GLU 42 -3.515 -0.975 -6.757 906 HG2 GLU 42 2HG GLU 42 -5.521 0.612 -6.669 907 HG3 GLU 42 1HG GLU 42 -4.937 1.217 -8.217 908 H VAL 43 H VAL 43 -3.070 -1.036 -4.609 909 HA VAL 43 HA VAL 43 -5.441 -0.650 -3.195 910 HB VAL 43 HB VAL 43 -2.974 -2.134 -2.264 911 HG11 VAL 43 1HG1 VAL 43 -4.540 -3.421 -0.871 912 HG12 VAL 43 2HG1 VAL 43 -5.846 -2.347 -1.367 913 HG13 VAL 43 3HG1 VAL 43 -4.497 -1.716 -0.423 914 HG21 VAL 43 1HG2 VAL 43 -4.082 -4.126 -3.167 915 HG22 VAL 43 2HG2 VAL 43 -3.749 -2.936 -4.425 916 HG23 VAL 43 3HG2 VAL 43 -5.386 -3.112 -3.789 917 H ALA 44 H ALA 44 -2.105 0.144 -2.247 918 HA ALA 44 HA ALA 44 -2.677 1.213 0.276 919 HB1 ALA 44 1HB ALA 44 -0.463 1.993 -1.613 920 HB2 ALA 44 2HB ALA 44 -0.414 0.657 -0.462 921 HB3 ALA 44 3HB ALA 44 -0.515 2.320 0.117 922 H GLU 45 H GLU 45 -2.612 2.746 -2.910 923 HA GLU 45 HA GLU 45 -2.922 5.422 -2.120 924 HB2 GLU 45 2HB GLU 45 -2.333 4.696 -4.407 925 HB3 GLU 45 1HB GLU 45 -3.949 4.036 -4.609 926 HG2 GLU 45 2HG GLU 45 -4.779 6.407 -4.159 927 HG3 GLU 45 1HG GLU 45 -3.106 6.900 -4.425 928 H LYS 46 H LYS 46 -5.341 3.003 -3.032 929 HA LYS 46 HA LYS 46 -7.535 4.764 -2.544 930 HB2 LYS 46 2HB LYS 46 -7.403 1.803 -3.087 931 HB3 LYS 46 1HB LYS 46 -8.904 2.717 -2.958 932 HG2 LYS 46 2HG LYS 46 -8.370 4.038 -4.850 933 HG3 LYS 46 1HG LYS 46 -6.717 3.429 -4.891 934 HD2 LYS 46 2HD LYS 46 -7.566 1.204 -5.445 935 HD3 LYS 46 1HD LYS 46 -9.217 1.823 -5.422 936 HE2 LYS 46 2HE LYS 46 -8.668 3.371 -7.232 937 HE3 LYS 46 1HE LYS 46 -7.011 2.773 -7.250 938 HZ1 LYS 46 1HZ LYS 46 -9.391 1.085 -7.801 939 HZ2 LYS 46 2HZ LYS 46 -7.759 0.653 -7.998 940 HZ3 LYS 46 3HZ LYS 46 -8.453 1.832 -9.002 941 H THR 47 H THR 47 -5.855 2.330 -0.678 942 HA THR 47 HA THR 47 -7.709 2.210 1.472 943 HB THR 47 HB THR 47 -4.720 1.715 1.524 944 HG1 THR 47 1HG THR 47 -5.738 0.307 0.082 945 HG21 THR 47 1HG2 THR 47 -6.886 0.809 3.424 946 HG22 THR 47 2HG2 THR 47 -5.675 2.046 3.760 947 HG23 THR 47 3HG2 THR 47 -5.180 0.372 3.512 948 H TYR 48 H TYR 48 -4.767 4.129 0.896 949 HA TYR 48 HA TYR 48 -4.760 5.476 3.354 950 HD1 TYR 48 2HD TYR 48 -2.727 6.691 4.275 951 HD2 TYR 48 1HD TYR 48 -3.490 8.708 0.610 952 HE1 TYR 48 2HE TYR 48 -2.052 8.817 5.308 953 HE2 TYR 48 1HE TYR 48 -2.820 10.840 1.640 954 HH TYR 48 HH TYR 48 -1.133 11.031 4.527 955 HB2 TYR 48 2HB TYR 48 -2.805 5.510 1.909 956 HB3 TYR 48 1HB TYR 48 -3.699 6.397 0.677 957 H GLU 49 H GLU 49 -6.129 6.453 0.203 958 HA GLU 49 HA GLU 49 -7.167 8.913 1.027 959 HB2 GLU 49 2HB GLU 49 -7.111 8.137 -1.335 960 HB3 GLU 49 1HB GLU 49 -8.431 7.034 -0.974 961 HG2 GLU 49 2HG GLU 49 -9.848 8.939 -0.364 962 HG3 GLU 49 1HG GLU 49 -8.534 10.036 -0.775 963 H ALA 50 H ALA 50 -8.665 5.708 1.044 964 HA ALA 50 HA ALA 50 -11.171 6.398 2.035 965 HB1 ALA 50 1HB ALA 50 -10.598 4.180 1.135 966 HB2 ALA 50 2HB ALA 50 -11.396 4.083 2.705 967 HB3 ALA 50 3HB ALA 50 -9.651 3.853 2.587 968 H TYR 51 H TYR 51 -8.269 5.421 3.868 969 HA TYR 51 HA TYR 51 -9.559 5.760 6.392 970 HD1 TYR 51 1HD TYR 51 -7.662 2.995 4.762 971 HD2 TYR 51 2HD TYR 51 -8.207 4.341 8.758 972 HE1 TYR 51 1HE TYR 51 -8.326 0.720 5.431 973 HE2 TYR 51 2HE TYR 51 -8.865 2.077 9.439 974 HH TYR 51 HH TYR 51 -8.491 -0.654 7.372 975 HB2 TYR 51 2HB TYR 51 -6.773 5.161 5.507 976 HB3 TYR 51 1HB TYR 51 -7.036 5.709 7.161 977 H ARG 52 H ARG 52 -7.506 7.826 4.403 978 HA ARG 52 HA ARG 52 -7.122 9.877 6.294 979 HE ARG 52 HE ARG 52 -4.198 11.922 4.789 980 HB2 ARG 52 2HB ARG 52 -5.836 9.891 4.261 981 HB3 ARG 52 1HB ARG 52 -7.287 9.957 3.274 982 HG2 ARG 52 2HG ARG 52 -6.149 12.107 3.348 983 HG3 ARG 52 1HG ARG 52 -7.754 12.205 4.073 984 HD2 ARG 52 2HD ARG 52 -6.231 13.431 5.451 985 HD3 ARG 52 1HD ARG 52 -6.696 11.963 6.309 986 HH11 ARG 52 1HH1 ARG 52 -5.818 12.072 7.887 987 HH12 ARG 52 2HH1 ARG 52 -4.387 11.713 8.808 988 HH21 ARG 52 1HH2 ARG 52 -2.306 11.464 5.973 989 HH22 ARG 52 2HH2 ARG 52 -2.365 11.386 7.712 990 H GLN 53 H GLN 53 -9.608 9.480 3.780 991 HA GLN 53 HA GLN 53 -11.143 11.741 4.526 992 HB2 GLN 53 2HB GLN 53 -11.173 9.989 2.436 993 HB3 GLN 53 1HB GLN 53 -12.555 9.412 3.351 994 HG2 GLN 53 2HG GLN 53 -12.190 12.248 2.410 995 HG3 GLN 53 1HG GLN 53 -13.128 11.021 1.566 996 HE21 GLN 53 1HE2 GLN 53 -13.018 13.213 4.221 997 HE22 GLN 53 2HE2 GLN 53 -14.654 13.004 4.729 998 H LEU 54 H LEU 54 -11.107 8.375 5.568 999 HA LEU 54 HA LEU 54 -13.470 8.389 7.085 1000 HG LEU 54 HG LEU 54 -12.556 6.639 9.461 1001 HB2 LEU 54 2HB LEU 54 -12.179 6.362 6.476 1002 HB3 LEU 54 1HB LEU 54 -10.929 6.843 7.606 1003 HD11 LEU 54 1HD1 LEU 54 -14.688 5.524 9.074 1004 HD12 LEU 54 2HD1 LEU 54 -14.379 5.518 7.337 1005 HD13 LEU 54 3HD1 LEU 54 -14.602 7.047 8.189 1006 HD21 LEU 54 1HD2 LEU 54 -11.066 4.786 8.881 1007 HD22 LEU 54 2HD2 LEU 54 -12.278 4.164 7.762 1008 HD23 LEU 54 3HD2 LEU 54 -12.615 4.208 9.492 1009 H ASP 55 H ASP 55 -10.099 9.002 8.082 1010 HA ASP 55 HA ASP 55 -10.698 9.644 10.766 1011 HB2 ASP 55 2HB ASP 55 -8.431 9.077 10.075 1012 HB3 ASP 55 1HB ASP 55 -8.364 10.493 9.032 1013 H GLU 56 H GLU 56 -10.511 11.577 7.860 1014 HA GLU 56 HA GLU 56 -10.790 14.102 9.122 1015 HB2 GLU 56 2HB GLU 56 -11.152 13.122 6.301 1016 HB3 GLU 56 1HB GLU 56 -11.481 14.789 6.730 1017 HG2 GLU 56 2HG GLU 56 -8.849 13.436 7.247 1018 HG3 GLU 56 1HG GLU 56 -9.208 14.329 5.772 1019 H PHE 57 H PHE 57 -13.105 11.908 7.555 1020 HA PHE 57 HA PHE 57 -15.359 13.563 8.054 1021 HD1 PHE 57 2HD PHE 57 -17.272 13.186 6.046 1022 HD2 PHE 57 1HD PHE 57 -17.301 9.960 8.821 1023 HE1 PHE 57 2HE PHE 57 -19.729 13.258 6.100 1024 HE2 PHE 57 1HE PHE 57 -19.758 10.026 8.880 1025 HZ PHE 57 HZ PHE 57 -20.974 11.678 7.521 1026 HB2 PHE 57 2HB PHE 57 -15.306 11.704 6.382 1027 HB3 PHE 57 1HB PHE 57 -15.301 10.554 7.715 1028 H ARG 58 H ARG 58 -13.676 11.103 9.860 1029 HA ARG 58 HA ARG 58 -15.466 10.619 11.930 1030 HE ARG 58 HE ARG 58 -13.088 8.475 15.847 1031 HB2 ARG 58 2HB ARG 58 -13.344 9.403 11.505 1032 HB3 ARG 58 1HB ARG 58 -12.453 10.794 12.102 1033 HG2 ARG 58 2HG ARG 58 -13.418 10.515 14.294 1034 HG3 ARG 58 1HG ARG 58 -14.414 9.180 13.710 1035 HD2 ARG 58 2HD ARG 58 -12.294 7.989 13.103 1036 HD3 ARG 58 1HD ARG 58 -11.409 9.273 13.924 1037 HH11 ARG 58 1HH1 ARG 58 -10.950 6.711 13.717 1038 HH12 ARG 58 2HH1 ARG 58 -10.758 5.364 14.797 1039 HH21 ARG 58 1HH2 ARG 58 -12.862 6.731 17.278 1040 HH22 ARG 58 2HH2 ARG 58 -11.889 5.361 16.836 1041 H LYS 59 H LYS 59 -12.884 13.075 11.751 1042 HA LYS 59 HA LYS 59 -13.633 14.303 14.209 1043 HB2 LYS 59 2HB LYS 59 -12.246 16.258 13.212 1044 HB3 LYS 59 1HB LYS 59 -11.474 14.783 13.757 1045 HG2 LYS 59 2HG LYS 59 -11.390 13.990 11.436 1046 HG3 LYS 59 1HG LYS 59 -12.115 15.516 10.917 1047 HD2 LYS 59 2HD LYS 59 -9.595 15.408 12.543 1048 HD3 LYS 59 1HD LYS 59 -9.581 15.327 10.779 1049 HE2 LYS 59 2HE LYS 59 -11.150 17.488 12.058 1050 HE3 LYS 59 1HE LYS 59 -9.401 17.614 12.098 1051 HZ1 LYS 59 1HZ LYS 59 -10.000 18.682 10.124 1052 HZ2 LYS 59 2HZ LYS 59 -11.201 17.548 9.760 1053 HZ3 LYS 59 3HZ LYS 59 -9.568 17.126 9.591 1054 H SER 60 H SER 60 -14.445 14.922 10.848 1055 HA SER 60 HA SER 60 -15.796 17.351 11.198 1056 HG SER 60 HG SER 60 -14.329 15.719 8.802 1057 HB2 SER 60 2HB SER 60 -16.398 15.182 9.178 1058 HB3 SER 60 1HB SER 60 -16.883 16.873 9.059 1059 H THR 61 H THR 61 -17.074 14.038 11.196 1060 HA THR 61 HA THR 61 -19.745 14.878 11.716 1061 HB THR 61 HB THR 61 -18.986 12.666 10.628 1062 HG1 THR 61 1HG THR 61 -20.913 12.075 12.576 1063 HG21 THR 61 1HG2 THR 61 -18.852 11.840 13.530 1064 HG22 THR 61 2HG2 THR 61 -17.490 11.906 12.412 1065 HG23 THR 61 3HG2 THR 61 -18.799 10.753 12.143 1066 H ALA 62 H ALA 62 -16.998 14.173 13.715 1067 HA ALA 62 HA ALA 62 -18.389 13.783 16.160 1068 HB1 ALA 62 1HB ALA 62 -16.242 14.189 17.232 1069 HB2 ALA 62 2HB ALA 62 -15.584 14.800 15.714 1070 HB3 ALA 62 3HB ALA 62 -16.054 13.106 15.854 1071 H SER 63 H SER 63 -17.351 16.580 14.365 1072 HA SER 63 HA SER 63 -17.762 18.470 16.463 1073 HG SER 63 HG SER 63 -18.210 20.771 13.973 1074 HB2 SER 63 2HB SER 63 -16.231 18.957 14.619 1075 HB3 SER 63 1HB SER 63 -17.550 18.834 13.458 1076 H LEU 64 H LEU 64 -19.780 16.909 14.141 1077 HA LEU 64 HA LEU 64 -21.907 18.880 14.416 1078 HG LEU 64 HG LEU 64 -23.271 17.727 11.173 1079 HB2 LEU 64 2HB LEU 64 -21.139 17.651 12.243 1080 HB3 LEU 64 1HB LEU 64 -22.101 16.325 12.857 1081 HD11 LEU 64 1HD1 LEU 64 -24.564 16.420 12.763 1082 HD12 LEU 64 2HD1 LEU 64 -25.375 17.940 12.386 1083 HD13 LEU 64 3HD1 LEU 64 -24.516 17.755 13.916 1084 HD21 LEU 64 1HD2 LEU 64 -22.291 19.882 11.795 1085 HD22 LEU 64 2HD2 LEU 64 -23.184 19.850 13.314 1086 HD23 LEU 64 3HD2 LEU 64 -24.052 19.946 11.782 1087 H GLU 65 H GLU 65 -21.295 15.462 15.037 1088 HA GLU 65 HA GLU 65 -23.889 15.072 16.240 1089 HB2 GLU 65 2HB GLU 65 -21.549 13.296 15.637 1090 HB3 GLU 65 1HB GLU 65 -22.937 12.753 16.540 1091 HG2 GLU 65 2HG GLU 65 -24.370 13.351 14.598 1092 HG3 GLU 65 1HG GLU 65 -22.895 13.725 13.702 1093 H HIS 66 H HIS 66 -21.247 16.446 17.399 1094 HA HIS 66 HA HIS 66 -20.345 15.101 19.616 1095 HD1 HIS 66 1HD HIS 66 -17.422 17.808 19.897 1096 HD2 HIS 66 2HD HIS 66 -20.460 16.682 22.508 1097 HE1 HIS 66 1HE HIS 66 -16.342 17.628 22.167 1098 HE2 HIS 66 2HE HIS 66 -18.157 16.735 23.678 1099 HB2 HIS 66 2HB HIS 66 -19.533 17.349 18.703 1100 HB3 HIS 66 1HB HIS 66 -20.817 18.078 19.662 1101 H HIS 67 H HIS 67 -22.928 17.573 19.676 1102 HA HIS 67 HA HIS 67 -24.131 16.053 21.881 1103 HD1 HIS 67 1HD HIS 67 -23.901 16.353 24.461 1104 HD2 HIS 67 2HD HIS 67 -26.260 19.620 23.434 1105 HE1 HIS 67 1HE HIS 67 -25.582 16.586 26.315 1106 HE2 HIS 67 2HE HIS 67 -27.136 18.417 25.552 1107 HB2 HIS 67 2HB HIS 67 -22.891 18.170 22.626 1108 HB3 HIS 67 1HB HIS 67 -24.165 19.068 21.808 1109 H HIS 68 H HIS 68 -25.806 15.198 20.885 1110 HA HIS 68 HA HIS 68 -27.151 16.292 18.688 1111 HD1 HIS 68 1HD HIS 68 -30.179 14.321 21.325 1112 HD2 HIS 68 2HD HIS 68 -26.236 13.003 21.561 1113 HE1 HIS 68 1HE HIS 68 -30.007 13.059 23.497 1114 HE2 HIS 68 2HE HIS 68 -27.579 12.398 23.685 1115 HB2 HIS 68 2HB HIS 68 -28.880 14.553 19.125 1116 HB3 HIS 68 1HB HIS 68 -27.241 13.923 19.069 1117 H HIS 69 H HIS 69 -28.631 17.798 18.495 1118 HA HIS 69 HA HIS 69 -30.210 18.557 20.861 1119 HD1 HIS 69 1HD HIS 69 -27.639 21.595 18.544 1120 HD2 HIS 69 2HD HIS 69 -29.117 20.360 22.232 1121 HE1 HIS 69 1HE HIS 69 -26.038 22.502 20.257 1122 HE2 HIS 69 2HE HIS 69 -27.072 21.923 22.482 1123 HB2 HIS 69 2HB HIS 69 -29.607 20.084 18.315 1124 HB3 HIS 69 1HB HIS 69 -30.763 20.629 19.525 1125 H HIS 70 H HIS 70 -30.475 18.125 17.354 1126 HA HIS 70 HA HIS 70 -31.982 17.050 16.061 1127 HD1 HIS 70 1HD HIS 70 -34.976 14.478 18.535 1128 HD2 HIS 70 2HD HIS 70 -33.201 15.071 14.827 1129 HE1 HIS 70 1HE HIS 70 -36.434 13.261 16.886 1130 HE2 HIS 70 2HE HIS 70 -35.188 13.419 14.700 1131 HB2 HIS 70 2HB HIS 70 -31.788 15.241 17.696 1132 HB3 HIS 70 1HB HIS 70 -33.035 15.985 18.686 1133 H HIS 71 H HIS 71 -33.521 18.015 14.970 1134 HA HIS 71 HA HIS 71 -35.592 19.498 16.447 1135 HD1 HIS 71 1HD HIS 71 -33.903 22.533 13.355 1136 HD2 HIS 71 2HD HIS 71 -33.965 20.999 17.221 1137 HE1 HIS 71 1HE HIS 71 -32.559 24.140 14.744 1138 HE2 HIS 71 2HE HIS 71 -32.769 23.295 17.106 1139 HB2 HIS 71 2HB HIS 71 -34.511 19.869 13.653 1140 HB3 HIS 71 1HB HIS 71 -35.978 20.655 14.222 Start of MODEL 10 1 HA MET 1 HA MET 1 30.890 -5.899 -21.141 2 H1 MET 1 1H MET 1 29.004 -3.689 -21.703 3 H2 MET 1 2H MET 1 28.789 -4.824 -20.467 4 H3 MET 1 3H MET 1 28.812 -5.333 -22.083 5 HB2 MET 1 2HB MET 1 32.391 -4.757 -22.622 6 HB3 MET 1 1HB MET 1 30.853 -4.922 -23.458 7 HG2 MET 1 2HG MET 1 30.315 -2.594 -22.897 8 HG3 MET 1 1HG MET 1 31.878 -2.437 -22.097 9 HE1 MET 1 1HE MET 1 29.962 -2.764 -25.479 10 HE2 MET 1 2HE MET 1 30.864 -4.279 -25.440 11 HE3 MET 1 3HE MET 1 31.270 -3.039 -26.629 12 H SER 2 H SER 2 32.768 -5.351 -19.982 13 HA SER 2 HA SER 2 34.133 -4.270 -18.537 14 HG SER 2 HG SER 2 35.169 -2.238 -19.909 15 HB2 SER 2 2HB SER 2 32.463 -1.867 -19.258 16 HB3 SER 2 1HB SER 2 33.883 -1.810 -18.224 17 H GLU 3 H GLU 3 30.951 -4.721 -18.071 18 HA GLU 3 HA GLU 3 30.798 -3.656 -15.392 19 HB2 GLU 3 2HB GLU 3 28.476 -4.600 -15.446 20 HB3 GLU 3 1HB GLU 3 28.818 -3.393 -16.672 21 HG2 GLU 3 2HG GLU 3 29.370 -5.522 -18.127 22 HG3 GLU 3 1HG GLU 3 28.306 -6.304 -16.959 23 H GLY 4 H GLY 4 31.705 -4.715 -13.842 24 HA2 GLY 4 2HA GLY 4 32.555 -7.408 -14.046 25 HA3 GLY 4 1HA GLY 4 32.673 -6.391 -12.619 26 H ALA 5 H ALA 5 31.749 -9.229 -13.305 27 HA ALA 5 HA ALA 5 29.031 -9.486 -12.666 28 HB1 ALA 5 1HB ALA 5 29.520 -11.824 -12.202 29 HB2 ALA 5 2HB ALA 5 31.248 -11.468 -12.169 30 HB3 ALA 5 3HB ALA 5 30.338 -11.289 -13.669 31 H GLU 6 H GLU 6 31.776 -8.854 -10.668 32 HA GLU 6 HA GLU 6 30.701 -9.651 -8.169 33 HB2 GLU 6 2HB GLU 6 32.661 -7.425 -8.761 34 HB3 GLU 6 1HB GLU 6 32.395 -8.185 -7.199 35 HG2 GLU 6 2HG GLU 6 33.490 -9.533 -9.654 36 HG3 GLU 6 1HG GLU 6 34.420 -8.995 -8.259 37 H GLU 7 H GLU 7 30.709 -6.595 -9.935 38 HA GLU 7 HA GLU 7 29.217 -5.105 -8.023 39 HB2 GLU 7 2HB GLU 7 30.696 -4.302 -10.009 40 HB3 GLU 7 1HB GLU 7 29.247 -4.523 -10.973 41 HG2 GLU 7 2HG GLU 7 29.418 -2.228 -10.328 42 HG3 GLU 7 1HG GLU 7 28.052 -2.964 -9.491 43 H LEU 8 H LEU 8 28.404 -7.124 -10.747 44 HA LEU 8 HA LEU 8 25.696 -6.540 -11.007 45 HG LEU 8 HG LEU 8 24.772 -9.381 -11.401 46 HB2 LEU 8 2HB LEU 8 26.974 -7.803 -12.643 47 HB3 LEU 8 1HB LEU 8 27.257 -9.078 -11.477 48 HD11 LEU 8 1HD1 LEU 8 24.917 -7.736 -13.918 49 HD12 LEU 8 2HD1 LEU 8 24.133 -7.259 -12.411 50 HD13 LEU 8 3HD1 LEU 8 23.501 -8.615 -13.347 51 HD21 LEU 8 1HD2 LEU 8 26.242 -9.953 -13.966 52 HD22 LEU 8 2HD2 LEU 8 24.755 -10.746 -13.452 53 HD23 LEU 8 3HD2 LEU 8 26.232 -10.958 -12.514 54 H LYS 9 H LYS 9 27.426 -8.906 -9.039 55 HA LYS 9 HA LYS 9 25.165 -10.027 -7.750 56 HB2 LYS 9 2HB LYS 9 27.453 -11.036 -7.842 57 HB3 LYS 9 1HB LYS 9 28.000 -9.808 -6.720 58 HG2 LYS 9 2HG LYS 9 27.591 -11.896 -5.578 59 HG3 LYS 9 1HG LYS 9 26.470 -10.652 -5.026 60 HD2 LYS 9 2HD LYS 9 24.680 -11.597 -6.284 61 HD3 LYS 9 1HD LYS 9 25.772 -12.685 -7.144 62 HE2 LYS 9 2HE LYS 9 24.513 -13.865 -5.415 63 HE3 LYS 9 1HE LYS 9 26.241 -13.878 -5.071 64 HZ1 LYS 9 1HZ LYS 9 24.180 -12.160 -3.792 65 HZ2 LYS 9 2HZ LYS 9 25.848 -11.998 -3.532 66 HZ3 LYS 9 3HZ LYS 9 25.053 -13.421 -3.066 67 H ALA 10 H ALA 10 27.356 -7.394 -6.919 68 HA ALA 10 HA ALA 10 26.285 -6.734 -4.423 69 HB1 ALA 10 1HB ALA 10 27.478 -4.859 -6.465 70 HB2 ALA 10 2HB ALA 10 28.383 -5.800 -5.277 71 HB3 ALA 10 3HB ALA 10 27.278 -4.533 -4.744 72 H LYS 11 H LYS 11 25.340 -5.693 -7.675 73 HA LYS 11 HA LYS 11 23.255 -3.955 -6.955 74 HB2 LYS 11 2HB LYS 11 24.193 -4.167 -9.246 75 HB3 LYS 11 1HB LYS 11 23.430 -5.742 -9.391 76 HG2 LYS 11 2HG LYS 11 22.071 -4.174 -10.546 77 HG3 LYS 11 1HG LYS 11 21.223 -4.620 -9.066 78 HD2 LYS 11 2HD LYS 11 22.024 -2.555 -8.003 79 HD3 LYS 11 1HD LYS 11 22.837 -2.107 -9.503 80 HE2 LYS 11 2HE LYS 11 20.637 -2.158 -10.654 81 HE3 LYS 11 1HE LYS 11 19.869 -2.473 -9.098 82 HZ1 LYS 11 1HZ LYS 11 19.725 -0.155 -9.570 83 HZ2 LYS 11 2HZ LYS 11 21.383 -0.044 -9.880 84 HZ3 LYS 11 3HZ LYS 11 20.835 -0.350 -8.304 85 H LEU 12 H LEU 12 23.177 -7.405 -7.778 86 HA LEU 12 HA LEU 12 20.467 -7.879 -7.303 87 HG LEU 12 HG LEU 12 20.829 -10.670 -5.820 88 HB2 LEU 12 2HB LEU 12 21.916 -9.503 -8.387 89 HB3 LEU 12 1HB LEU 12 22.834 -9.711 -6.910 90 HD11 LEU 12 1HD1 LEU 12 18.904 -11.299 -7.184 91 HD12 LEU 12 2HD1 LEU 12 19.610 -10.463 -8.568 92 HD13 LEU 12 3HD1 LEU 12 19.119 -9.550 -7.142 93 HD21 LEU 12 1HD2 LEU 12 21.633 -12.016 -8.393 94 HD22 LEU 12 2HD2 LEU 12 20.864 -12.798 -7.012 95 HD23 LEU 12 3HD2 LEU 12 22.487 -12.126 -6.852 96 H LYS 13 H LYS 13 23.223 -8.016 -5.092 97 HA LYS 13 HA LYS 13 21.911 -8.876 -2.781 98 HB2 LYS 13 2HB LYS 13 24.378 -8.607 -3.032 99 HB3 LYS 13 1HB LYS 13 24.166 -6.867 -2.940 100 HG2 LYS 13 2HG LYS 13 23.126 -7.214 -0.682 101 HG3 LYS 13 1HG LYS 13 23.653 -8.896 -0.784 102 HD2 LYS 13 2HD LYS 13 25.975 -8.153 -1.016 103 HD3 LYS 13 1HD LYS 13 25.445 -6.471 -0.936 104 HE2 LYS 13 2HE LYS 13 24.479 -6.976 1.317 105 HE3 LYS 13 1HE LYS 13 25.259 -8.554 1.233 106 HZ1 LYS 13 1HZ LYS 13 27.403 -7.435 1.038 107 HZ2 LYS 13 2HZ LYS 13 26.606 -6.981 2.466 108 HZ3 LYS 13 3HZ LYS 13 26.639 -5.924 1.141 109 H LYS 14 H LYS 14 22.480 -5.604 -3.961 110 HA LYS 14 HA LYS 14 21.284 -4.125 -1.946 111 HB2 LYS 14 2HB LYS 14 22.628 -3.197 -3.792 112 HB3 LYS 14 1HB LYS 14 21.332 -3.559 -4.918 113 HG2 LYS 14 2HG LYS 14 21.320 -1.219 -4.388 114 HG3 LYS 14 1HG LYS 14 19.879 -1.980 -3.712 115 HD2 LYS 14 2HD LYS 14 20.734 -1.896 -1.525 116 HD3 LYS 14 1HD LYS 14 22.373 -1.564 -2.091 117 HE2 LYS 14 2HE LYS 14 21.307 0.436 -1.155 118 HE3 LYS 14 1HE LYS 14 21.684 0.634 -2.864 119 HZ1 LYS 14 1HZ LYS 14 19.021 0.070 -1.677 120 HZ2 LYS 14 2HZ LYS 14 19.333 0.070 -3.345 121 HZ3 LYS 14 3HZ LYS 14 19.518 1.496 -2.448 122 H LEU 15 H LEU 15 19.801 -5.381 -4.927 123 HA LEU 15 HA LEU 15 17.202 -4.413 -4.339 124 HG LEU 15 HG LEU 15 17.094 -4.929 -7.949 125 HB2 LEU 15 2HB LEU 15 18.380 -6.274 -6.334 126 HB3 LEU 15 1HB LEU 15 16.651 -6.366 -6.073 127 HD11 LEU 15 1HD1 LEU 15 16.292 -3.303 -5.540 128 HD12 LEU 15 2HD1 LEU 15 15.224 -4.323 -6.502 129 HD13 LEU 15 3HD1 LEU 15 15.965 -2.894 -7.224 130 HD21 LEU 15 1HD2 LEU 15 18.377 -2.858 -7.721 131 HD22 LEU 15 2HD2 LEU 15 19.376 -4.279 -7.417 132 HD23 LEU 15 3HD2 LEU 15 18.798 -3.302 -6.067 133 H ASN 16 H ASN 16 18.765 -7.543 -3.852 134 HA ASN 16 HA ASN 16 16.534 -9.015 -3.031 135 HB2 ASN 16 2HB ASN 16 18.836 -9.897 -3.582 136 HB3 ASN 16 1HB ASN 16 19.355 -9.345 -1.994 137 HD21 ASN 16 1HD2 ASN 16 19.336 -12.024 -3.073 138 HD22 ASN 16 2HD2 ASN 16 18.354 -12.973 -2.019 139 H ALA 17 H ALA 17 18.915 -7.228 -1.073 140 HA ALA 17 HA ALA 17 17.733 -7.822 1.416 141 HB1 ALA 17 1HB ALA 17 20.033 -7.064 1.221 142 HB2 ALA 17 2HB ALA 17 19.122 -6.003 2.296 143 HB3 ALA 17 3HB ALA 17 19.484 -5.489 0.647 144 H GLN 18 H GLN 18 17.317 -5.118 -0.818 145 HA GLN 18 HA GLN 18 15.754 -3.493 0.874 146 HB2 GLN 18 2HB GLN 18 16.903 -2.786 -1.256 147 HB3 GLN 18 1HB GLN 18 15.615 -3.589 -2.142 148 HG2 GLN 18 2HG GLN 18 13.978 -2.098 -1.075 149 HG3 GLN 18 1HG GLN 18 15.300 -1.268 -0.255 150 HE21 GLN 18 1HE2 GLN 18 13.660 -1.775 -3.251 151 HE22 GLN 18 2HE2 GLN 18 14.426 -0.501 -4.132 152 H ALA 19 H ALA 19 14.814 -5.820 -1.659 153 HA ALA 19 HA ALA 19 12.035 -5.392 -1.434 154 HB1 ALA 19 1HB ALA 19 13.064 -6.434 -3.390 155 HB2 ALA 19 2HB ALA 19 11.799 -7.459 -2.714 156 HB3 ALA 19 3HB ALA 19 13.496 -7.841 -2.421 157 H THR 20 H THR 20 14.216 -7.651 0.166 158 HA THR 20 HA THR 20 12.138 -9.168 1.387 159 HB THR 20 HB THR 20 15.066 -9.000 2.132 160 HG1 THR 20 1HG THR 20 15.180 -9.876 0.181 161 HG21 THR 20 1HG2 THR 20 14.712 -11.202 3.142 162 HG22 THR 20 2HG2 THR 20 13.002 -11.133 2.722 163 HG23 THR 20 3HG2 THR 20 13.666 -10.001 3.900 164 H ALA 21 H ALA 21 14.172 -6.470 2.460 165 HA ALA 21 HA ALA 21 13.441 -6.540 5.179 166 HB1 ALA 21 1HB ALA 21 14.295 -4.142 3.564 167 HB2 ALA 21 2HB ALA 21 15.385 -5.297 4.331 168 HB3 ALA 21 3HB ALA 21 14.325 -4.292 5.320 169 H LEU 22 H LEU 22 12.087 -4.743 2.438 170 HA LEU 22 HA LEU 22 10.177 -3.324 3.977 171 HG LEU 22 HG LEU 22 10.475 -1.368 0.885 172 HB2 LEU 22 2HB LEU 22 10.621 -3.802 1.072 173 HB3 LEU 22 1HB LEU 22 9.054 -3.204 1.577 174 HD11 LEU 22 1HD1 LEU 22 10.061 -1.407 3.868 175 HD12 LEU 22 2HD1 LEU 22 8.866 -0.950 2.655 176 HD13 LEU 22 3HD1 LEU 22 10.315 0.031 2.879 177 HD21 LEU 22 1HD2 LEU 22 12.491 -0.775 2.153 178 HD22 LEU 22 2HD2 LEU 22 12.656 -2.320 1.318 179 HD23 LEU 22 3HD2 LEU 22 12.354 -2.285 3.055 180 H LYS 23 H LYS 23 10.179 -6.518 2.597 181 HA LYS 23 HA LYS 23 7.412 -6.945 2.405 182 HB2 LYS 23 2HB LYS 23 9.059 -8.477 1.425 183 HB3 LYS 23 1HB LYS 23 9.581 -8.953 3.035 184 HG2 LYS 23 2HG LYS 23 7.278 -9.785 3.469 185 HG3 LYS 23 1HG LYS 23 6.886 -9.441 1.785 186 HD2 LYS 23 2HD LYS 23 9.009 -11.346 2.768 187 HD3 LYS 23 1HD LYS 23 7.444 -11.793 2.080 188 HE2 LYS 23 2HE LYS 23 8.099 -10.649 -0.016 189 HE3 LYS 23 1HE LYS 23 9.691 -10.345 0.681 190 HZ1 LYS 23 1HZ LYS 23 9.907 -12.798 0.943 191 HZ2 LYS 23 2HZ LYS 23 9.838 -12.266 -0.664 192 HZ3 LYS 23 3HZ LYS 23 8.472 -12.976 0.049 193 H MET 24 H MET 24 9.632 -7.870 5.045 194 HA MET 24 HA MET 24 7.560 -8.726 6.779 195 HB2 MET 24 2HB MET 24 10.439 -7.972 7.272 196 HB3 MET 24 1HB MET 24 9.369 -8.474 8.574 197 HG2 MET 24 2HG MET 24 10.669 -10.349 7.874 198 HG3 MET 24 1HG MET 24 8.996 -10.611 7.390 199 HE1 MET 24 1HE MET 24 9.750 -12.558 5.776 200 HE2 MET 24 2HE MET 24 11.439 -12.317 6.225 201 HE3 MET 24 3HE MET 24 10.981 -12.386 4.524 202 H ASP 25 H ASP 25 9.089 -5.658 6.198 203 HA ASP 25 HA ASP 25 8.136 -4.305 8.497 204 HB2 ASP 25 2HB ASP 25 10.015 -3.562 6.965 205 HB3 ASP 25 1HB ASP 25 8.783 -3.084 5.805 206 H LEU 26 H LEU 26 6.886 -4.746 5.228 207 HA LEU 26 HA LEU 26 4.549 -3.155 5.591 208 HG LEU 26 HG LEU 26 2.730 -4.870 3.682 209 HB2 LEU 26 2HB LEU 26 5.463 -3.627 3.373 210 HB3 LEU 26 1HB LEU 26 5.166 -5.340 3.596 211 HD11 LEU 26 1HD1 LEU 26 1.914 -2.691 2.932 212 HD12 LEU 26 2HD1 LEU 26 3.568 -2.076 2.914 213 HD13 LEU 26 3HD1 LEU 26 2.821 -2.554 4.438 214 HD21 LEU 26 1HD2 LEU 26 4.155 -3.887 1.212 215 HD22 LEU 26 2HD2 LEU 26 2.486 -4.451 1.288 216 HD23 LEU 26 3HD2 LEU 26 3.809 -5.571 1.608 217 H HIS 27 H HIS 27 5.249 -6.618 5.824 218 HA HIS 27 HA HIS 27 2.619 -7.541 6.063 219 HD1 HIS 27 1HD HIS 27 3.846 -10.443 8.906 220 HD2 HIS 27 2HD HIS 27 2.250 -10.346 5.073 221 HE1 HIS 27 1HE HIS 27 2.229 -12.362 8.796 222 HE2 HIS 27 2HE HIS 27 1.065 -12.068 6.583 223 HB2 HIS 27 2HB HIS 27 4.704 -8.930 5.685 224 HB3 HIS 27 1HB HIS 27 5.015 -8.794 7.413 225 H ASP 28 H ASP 28 4.929 -6.552 8.560 226 HA ASP 28 HA ASP 28 3.322 -7.149 10.794 227 HB2 ASP 28 2HB ASP 28 5.720 -6.727 10.989 228 HB3 ASP 28 1HB ASP 28 5.493 -5.062 10.465 229 H LEU 29 H LEU 29 3.469 -4.359 8.686 230 HA LEU 29 HA LEU 29 1.799 -2.704 10.334 231 HG LEU 29 HG LEU 29 0.707 -0.962 7.950 232 HB2 LEU 29 2HB LEU 29 3.487 -1.758 8.829 233 HB3 LEU 29 1HB LEU 29 2.643 -2.428 7.450 234 HD11 LEU 29 1HD1 LEU 29 0.983 0.878 9.535 235 HD12 LEU 29 2HD1 LEU 29 2.533 0.209 10.043 236 HD13 LEU 29 3HD1 LEU 29 1.046 -0.689 10.343 237 HD21 LEU 29 1HD2 LEU 29 2.355 -0.263 6.322 238 HD22 LEU 29 2HD2 LEU 29 3.363 0.421 7.597 239 HD23 LEU 29 3HD2 LEU 29 1.791 1.133 7.240 240 H ALA 30 H ALA 30 1.364 -4.785 7.538 241 HA ALA 30 HA ALA 30 -1.296 -3.957 6.965 242 HB1 ALA 30 1HB ALA 30 0.096 -6.500 6.139 243 HB2 ALA 30 2HB ALA 30 0.189 -4.965 5.276 244 HB3 ALA 30 3HB ALA 30 -1.353 -5.810 5.410 245 H GLU 31 H GLU 31 0.080 -6.358 9.098 246 HA GLU 31 HA GLU 31 -2.377 -7.732 9.546 247 HB2 GLU 31 2HB GLU 31 0.194 -7.628 11.116 248 HB3 GLU 31 1HB GLU 31 -1.168 -8.644 11.539 249 HG2 GLU 31 2HG GLU 31 -0.974 -9.736 9.321 250 HG3 GLU 31 1HG GLU 31 0.493 -8.796 9.044 251 H ASP 32 H ASP 32 -0.581 -5.197 11.279 252 HA ASP 32 HA ASP 32 -2.889 -4.908 13.051 253 HB2 ASP 32 2HB ASP 32 -0.533 -5.081 14.003 254 HB3 ASP 32 1HB ASP 32 -0.268 -3.457 13.364 255 H LEU 33 H LEU 33 -4.156 -4.067 11.451 256 HA LEU 33 HA LEU 33 -3.547 -1.690 10.085 257 HG LEU 33 HG LEU 33 -4.123 -3.403 8.231 258 HB2 LEU 33 2HB LEU 33 -5.737 -3.589 10.074 259 HB3 LEU 33 1HB LEU 33 -6.250 -1.930 9.794 260 HD11 LEU 33 1HD1 LEU 33 -6.371 -4.193 7.733 261 HD12 LEU 33 2HD1 LEU 33 -5.706 -3.281 6.377 262 HD13 LEU 33 3HD1 LEU 33 -6.898 -2.535 7.442 263 HD21 LEU 33 1HD2 LEU 33 -3.642 -0.996 8.447 264 HD22 LEU 33 2HD2 LEU 33 -5.255 -0.630 7.832 265 HD23 LEU 33 3HD2 LEU 33 -4.080 -1.434 6.794 266 HA PRO 34 HA PRO 34 -5.022 1.973 10.274 267 HB2 PRO 34 2HB PRO 34 -6.068 1.557 13.068 268 HB3 PRO 34 1HB PRO 34 -6.284 2.963 12.007 269 HG2 PRO 34 2HG PRO 34 -7.997 0.746 12.061 270 HG3 PRO 34 1HG PRO 34 -7.873 1.907 10.727 271 HD2 PRO 34 2HD PRO 34 -7.206 -0.834 10.570 272 HD3 PRO 34 1HD PRO 34 -6.685 0.419 9.414 273 H THR 35 H THR 35 -4.235 1.129 13.618 274 HA THR 35 HA THR 35 -2.593 2.383 14.777 275 HB THR 35 HB THR 35 -0.998 0.286 13.314 276 HG1 THR 35 1HG THR 35 -1.796 -1.116 14.954 277 HG21 THR 35 1HG2 THR 35 0.316 1.784 14.758 278 HG22 THR 35 2HG2 THR 35 0.238 0.156 15.433 279 HG23 THR 35 3HG2 THR 35 -0.769 1.439 16.103 280 H GLY 36 H GLY 36 -0.439 1.512 12.098 281 HA2 GLY 36 2HA GLY 36 0.223 4.379 11.798 282 HA3 GLY 36 1HA GLY 36 1.365 3.070 11.549 283 H TRP 37 H TRP 37 -1.937 3.376 10.383 284 HA TRP 37 HA TRP 37 -1.566 2.452 7.827 285 HD1 TRP 37 HD TRP 37 -3.841 3.863 11.151 286 HE1 TRP 37 1HE TRP 37 -4.720 6.186 11.820 287 HE3 TRP 37 3HE TRP 37 -3.987 6.047 6.520 288 HZ2 TRP 37 2HZ TRP 37 -5.379 8.621 10.556 289 HZ3 TRP 37 3HZ TRP 37 -4.757 8.377 6.344 290 HH2 TRP 37 HH TRP 37 -5.439 9.635 8.321 291 HB2 TRP 37 2HB TRP 37 -3.717 3.655 7.309 292 HB3 TRP 37 1HB TRP 37 -3.773 2.613 8.727 293 H ASN 38 H ASN 38 -0.846 5.596 9.075 294 HA ASN 38 HA ASN 38 -0.978 7.096 6.703 295 HB2 ASN 38 2HB ASN 38 -0.688 7.878 9.165 296 HB3 ASN 38 1HB ASN 38 1.034 7.665 8.865 297 HD21 ASN 38 1HD2 ASN 38 -0.319 10.090 9.499 298 HD22 ASN 38 2HD2 ASN 38 -0.095 11.172 8.156 299 H ARG 39 H ARG 39 1.303 4.775 7.839 300 HA ARG 39 HA ARG 39 3.402 5.778 6.059 301 HE ARG 39 HE ARG 39 8.081 4.592 7.696 302 HB2 ARG 39 2HB ARG 39 3.847 5.048 8.454 303 HB3 ARG 39 1HB ARG 39 3.576 3.398 7.904 304 HG2 ARG 39 2HG ARG 39 5.402 3.653 6.287 305 HG3 ARG 39 1HG ARG 39 5.691 5.285 6.891 306 HD2 ARG 39 2HD ARG 39 6.141 4.345 9.124 307 HD3 ARG 39 1HD ARG 39 5.924 2.724 8.461 308 HH11 ARG 39 1HH1 ARG 39 6.829 1.354 8.103 309 HH12 ARG 39 2HH1 ARG 39 8.287 0.566 7.580 310 HH21 ARG 39 1HH2 ARG 39 10.021 3.581 7.047 311 HH22 ARG 39 2HH2 ARG 39 10.127 1.845 7.005 312 H ILE 40 H ILE 40 0.789 3.799 5.745 313 HA ILE 40 HA ILE 40 1.718 1.446 4.578 314 HB ILE 40 HB ILE 40 -0.823 2.989 4.071 315 HG12 ILE 40 2HG1 ILE 40 -0.248 0.454 5.627 316 HG13 ILE 40 1HG1 ILE 40 -0.548 2.045 6.322 317 HG21 ILE 40 1HG2 ILE 40 -0.350 1.667 2.080 318 HG22 ILE 40 2HG2 ILE 40 -1.720 0.999 2.967 319 HG23 ILE 40 3HG2 ILE 40 -0.139 0.222 3.070 320 HD11 ILE 40 1HD1 ILE 40 -2.805 2.012 5.357 321 HD12 ILE 40 2HD1 ILE 40 -2.524 0.682 6.480 322 HD13 ILE 40 3HD1 ILE 40 -2.497 0.389 4.740 323 H MET 41 H MET 41 1.097 4.590 3.070 324 HA MET 41 HA MET 41 1.372 3.825 0.399 325 HB2 MET 41 2HB MET 41 1.822 6.421 1.834 326 HB3 MET 41 1HB MET 41 2.158 6.281 0.117 327 HG2 MET 41 2HG MET 41 -0.491 5.386 1.098 328 HG3 MET 41 1HG MET 41 -0.166 7.115 1.033 329 HE1 MET 41 1HE MET 41 -0.640 3.800 -1.011 330 HE2 MET 41 2HE MET 41 1.044 4.181 -1.376 331 HE3 MET 41 3HE MET 41 -0.176 4.298 -2.641 332 H GLU 42 H GLU 42 3.852 4.893 2.693 333 HA GLU 42 HA GLU 42 5.965 4.992 0.831 334 HB2 GLU 42 2HB GLU 42 6.140 6.064 3.015 335 HB3 GLU 42 1HB GLU 42 6.039 4.508 3.819 336 HG2 GLU 42 2HG GLU 42 8.145 3.828 2.920 337 HG3 GLU 42 1HG GLU 42 8.229 5.265 1.905 338 H VAL 43 H VAL 43 5.196 2.557 3.270 339 HA VAL 43 HA VAL 43 7.210 0.765 2.603 340 HB VAL 43 HB VAL 43 4.532 -0.098 3.675 341 HG11 VAL 43 1HG1 VAL 43 6.054 -1.891 3.119 342 HG12 VAL 43 2HG1 VAL 43 5.899 -1.758 4.871 343 HG13 VAL 43 3HG1 VAL 43 7.336 -1.132 4.061 344 HG21 VAL 43 1HG2 VAL 43 5.341 0.411 5.908 345 HG22 VAL 43 2HG2 VAL 43 5.290 1.874 4.924 346 HG23 VAL 43 3HG2 VAL 43 6.831 1.074 5.236 347 H ALA 44 H ALA 44 3.863 0.935 1.401 348 HA ALA 44 HA ALA 44 3.984 -1.428 -0.149 349 HB1 ALA 44 1HB ALA 44 1.981 -0.632 -1.232 350 HB2 ALA 44 2HB ALA 44 2.259 0.997 -0.621 351 HB3 ALA 44 3HB ALA 44 1.880 -0.312 0.499 352 H GLU 45 H GLU 45 4.528 1.969 -0.974 353 HA GLU 45 HA GLU 45 4.983 1.661 -3.713 354 HB2 GLU 45 2HB GLU 45 4.624 3.820 -2.582 355 HB3 GLU 45 1HB GLU 45 6.189 3.673 -1.803 356 HG2 GLU 45 2HG GLU 45 7.265 3.725 -4.016 357 HG3 GLU 45 1HG GLU 45 5.683 3.953 -4.754 358 H LYS 46 H LYS 46 7.274 1.692 -1.014 359 HA LYS 46 HA LYS 46 9.564 1.327 -2.636 360 HB2 LYS 46 2HB LYS 46 9.010 1.176 0.290 361 HB3 LYS 46 1HB LYS 46 10.515 0.499 -0.313 362 HG2 LYS 46 2HG LYS 46 10.872 2.763 0.426 363 HG3 LYS 46 1HG LYS 46 11.071 2.670 -1.322 364 HD2 LYS 46 2HD LYS 46 8.775 3.545 -1.593 365 HD3 LYS 46 1HD LYS 46 8.653 3.705 0.160 366 HE2 LYS 46 2HE LYS 46 10.577 5.237 0.132 367 HE3 LYS 46 1HE LYS 46 10.638 5.107 -1.625 368 HZ1 LYS 46 1HZ LYS 46 9.478 7.094 -1.059 369 HZ2 LYS 46 2HZ LYS 46 8.450 6.279 0.007 370 HZ3 LYS 46 3HZ LYS 46 8.330 6.000 -1.663 371 H THR 47 H THR 47 7.449 -0.956 -0.938 372 HA THR 47 HA THR 47 9.001 -3.265 -1.389 373 HB THR 47 HB THR 47 5.987 -3.069 -1.144 374 HG1 THR 47 1HG THR 47 6.866 -2.273 0.726 375 HG21 THR 47 1HG2 THR 47 6.744 -5.220 -2.064 376 HG22 THR 47 2HG2 THR 47 6.096 -5.405 -0.434 377 HG23 THR 47 3HG2 THR 47 7.840 -5.414 -0.696 378 H TYR 48 H TYR 48 6.357 -1.804 -3.278 379 HA TYR 48 HA TYR 48 6.258 -3.711 -5.324 380 HD1 TYR 48 1HD TYR 48 3.934 -3.733 -6.792 381 HD2 TYR 48 2HD TYR 48 6.001 -0.126 -7.696 382 HE1 TYR 48 1HE TYR 48 3.326 -3.986 -9.161 383 HE2 TYR 48 2HE TYR 48 5.392 -0.366 -10.065 384 HH TYR 48 HH TYR 48 3.084 -2.642 -11.150 385 HB2 TYR 48 2HB TYR 48 4.526 -2.005 -5.025 386 HB3 TYR 48 1HB TYR 48 5.675 -0.740 -5.451 387 H GLU 49 H GLU 49 7.992 -0.600 -5.220 388 HA GLU 49 HA GLU 49 9.285 -0.813 -7.696 389 HB2 GLU 49 2HB GLU 49 9.750 0.711 -5.164 390 HB3 GLU 49 1HB GLU 49 11.029 0.690 -6.361 391 HG2 GLU 49 2HG GLU 49 8.222 1.467 -7.048 392 HG3 GLU 49 1HG GLU 49 9.409 2.624 -6.443 393 H ALA 50 H ALA 50 10.212 -2.042 -4.511 394 HA ALA 50 HA ALA 50 12.857 -2.771 -5.204 395 HB1 ALA 50 1HB ALA 50 11.065 -4.029 -3.126 396 HB2 ALA 50 2HB ALA 50 12.078 -2.606 -2.872 397 HB3 ALA 50 3HB ALA 50 12.819 -4.169 -3.218 398 H TYR 51 H TYR 51 9.856 -4.697 -5.103 399 HA TYR 51 HA TYR 51 11.152 -7.017 -6.122 400 HD1 TYR 51 2HD TYR 51 10.141 -9.474 -6.280 401 HD2 TYR 51 1HD TYR 51 8.623 -7.083 -3.101 402 HE1 TYR 51 2HE TYR 51 10.646 -11.279 -4.692 403 HE2 TYR 51 1HE TYR 51 9.134 -8.881 -1.504 404 HH TYR 51 HH TYR 51 11.154 -11.423 -2.188 405 HB2 TYR 51 2HB TYR 51 8.431 -6.311 -5.296 406 HB3 TYR 51 1HB TYR 51 8.501 -7.475 -6.616 407 H ARG 52 H ARG 52 9.368 -4.375 -7.639 408 HA ARG 52 HA ARG 52 9.122 -5.651 -10.153 409 HE ARG 52 HE ARG 52 9.934 -1.718 -12.133 410 HB2 ARG 52 2HB ARG 52 8.528 -3.521 -11.066 411 HB3 ARG 52 1HB ARG 52 7.813 -3.633 -9.475 412 HG2 ARG 52 2HG ARG 52 9.191 -2.019 -8.605 413 HG3 ARG 52 1HG ARG 52 10.437 -2.272 -9.832 414 HD2 ARG 52 2HD ARG 52 7.712 -1.089 -10.349 415 HD3 ARG 52 1HD ARG 52 9.193 -0.154 -10.137 416 HH11 ARG 52 1HH1 ARG 52 6.874 -0.065 -11.672 417 HH12 ARG 52 2HH1 ARG 52 6.571 0.107 -13.370 418 HH21 ARG 52 1HH2 ARG 52 9.552 -1.495 -14.335 419 HH22 ARG 52 2HH2 ARG 52 8.115 -0.687 -14.901 420 H GLN 53 H GLN 53 11.613 -3.556 -8.765 421 HA GLN 53 HA GLN 53 13.233 -3.459 -11.111 422 HB2 GLN 53 2HB GLN 53 13.228 -2.133 -8.740 423 HB3 GLN 53 1HB GLN 53 14.528 -3.276 -8.448 424 HG2 GLN 53 2HG GLN 53 14.362 -1.208 -10.625 425 HG3 GLN 53 1HG GLN 53 15.461 -1.235 -9.251 426 HE21 GLN 53 1HE2 GLN 53 14.764 -2.480 -12.391 427 HE22 GLN 53 2HE2 GLN 53 16.271 -3.293 -12.631 428 H LEU 54 H LEU 54 13.121 -5.523 -8.231 429 HA LEU 54 HA LEU 54 15.402 -7.060 -8.739 430 HG LEU 54 HG LEU 54 15.799 -7.901 -6.438 431 HB2 LEU 54 2HB LEU 54 13.519 -7.009 -6.781 432 HB3 LEU 54 1HB LEU 54 13.075 -8.487 -7.611 433 HD11 LEU 54 1HD1 LEU 54 15.206 -9.559 -4.757 434 HD12 LEU 54 2HD1 LEU 54 13.602 -9.721 -5.473 435 HD13 LEU 54 3HD1 LEU 54 14.085 -8.198 -4.729 436 HD21 LEU 54 1HD2 LEU 54 14.685 -10.402 -7.704 437 HD22 LEU 54 2HD2 LEU 54 16.226 -10.292 -6.854 438 HD23 LEU 54 3HD2 LEU 54 15.975 -9.385 -8.345 439 H ASP 55 H ASP 55 12.034 -7.547 -9.786 440 HA ASP 55 HA ASP 55 12.533 -9.943 -11.221 441 HB2 ASP 55 2HB ASP 55 10.269 -9.319 -10.523 442 HB3 ASP 55 1HB ASP 55 10.317 -7.907 -11.573 443 H GLU 56 H GLU 56 12.385 -6.543 -12.193 444 HA GLU 56 HA GLU 56 12.844 -6.907 -14.933 445 HB2 GLU 56 2HB GLU 56 13.325 -4.626 -13.043 446 HB3 GLU 56 1HB GLU 56 13.787 -4.503 -14.729 447 HG2 GLU 56 2HG GLU 56 11.436 -5.017 -15.352 448 HG3 GLU 56 1HG GLU 56 11.023 -4.973 -13.639 449 H PHE 57 H PHE 57 15.112 -6.360 -12.270 450 HA PHE 57 HA PHE 57 17.482 -6.434 -13.757 451 HD1 PHE 57 2HD PHE 57 19.799 -5.486 -12.390 452 HD2 PHE 57 1HD PHE 57 18.409 -8.992 -10.426 453 HE1 PHE 57 2HE PHE 57 22.121 -6.211 -12.049 454 HE2 PHE 57 1HE PHE 57 20.731 -9.726 -10.082 455 HZ PHE 57 HZ PHE 57 22.592 -8.334 -10.893 456 HB2 PHE 57 2HB PHE 57 17.479 -5.682 -11.458 457 HB3 PHE 57 1HB PHE 57 16.906 -7.250 -10.901 458 H ARG 58 H ARG 58 15.612 -9.019 -12.241 459 HA ARG 58 HA ARG 58 17.342 -11.145 -12.789 460 HE ARG 58 HE ARG 58 15.789 -12.982 -8.478 461 HB2 ARG 58 2HB ARG 58 14.430 -10.872 -12.219 462 HB3 ARG 58 1HB ARG 58 15.021 -12.410 -12.815 463 HG2 ARG 58 2HG ARG 58 16.520 -12.615 -10.935 464 HG3 ARG 58 1HG ARG 58 16.065 -11.005 -10.368 465 HD2 ARG 58 2HD ARG 58 13.928 -11.686 -9.763 466 HD3 ARG 58 1HD ARG 58 13.995 -13.122 -10.781 467 HH11 ARG 58 1HH1 ARG 58 12.933 -14.265 -10.003 468 HH12 ARG 58 2HH1 ARG 58 12.775 -15.616 -8.918 469 HH21 ARG 58 1HH2 ARG 58 15.615 -14.782 -7.011 470 HH22 ARG 58 2HH2 ARG 58 14.317 -15.910 -7.225 471 H LYS 59 H LYS 59 14.612 -9.841 -14.655 472 HA LYS 59 HA LYS 59 14.695 -11.722 -16.739 473 HB2 LYS 59 2HB LYS 59 12.784 -10.240 -16.446 474 HB3 LYS 59 1HB LYS 59 13.784 -8.837 -16.804 475 HG2 LYS 59 2HG LYS 59 14.204 -9.837 -19.066 476 HG3 LYS 59 1HG LYS 59 12.973 -11.042 -18.680 477 HD2 LYS 59 2HD LYS 59 11.297 -9.332 -18.457 478 HD3 LYS 59 1HD LYS 59 12.507 -8.060 -18.652 479 HE2 LYS 59 2HE LYS 59 12.990 -8.917 -20.916 480 HE3 LYS 59 1HE LYS 59 11.708 -10.107 -20.712 481 HZ1 LYS 59 1HZ LYS 59 11.297 -7.172 -20.588 482 HZ2 LYS 59 2HZ LYS 59 10.095 -8.370 -20.570 483 HZ3 LYS 59 3HZ LYS 59 11.025 -8.121 -21.966 484 H SER 60 H SER 60 16.204 -8.531 -16.453 485 HA SER 60 HA SER 60 17.329 -8.501 -19.031 486 HG SER 60 HG SER 60 16.289 -6.281 -16.726 487 HB2 SER 60 2HB SER 60 18.294 -7.024 -16.574 488 HB3 SER 60 1HB SER 60 18.603 -6.588 -18.255 489 H THR 61 H THR 61 18.637 -9.487 -15.907 490 HA THR 61 HA THR 61 21.264 -10.002 -16.834 491 HB THR 61 HB THR 61 19.887 -11.198 -14.422 492 HG1 THR 61 1HG THR 61 19.794 -9.015 -14.133 493 HG21 THR 61 1HG2 THR 61 22.808 -10.768 -15.055 494 HG22 THR 61 2HG2 THR 61 21.974 -12.321 -15.004 495 HG23 THR 61 3HG2 THR 61 22.170 -11.377 -13.527 496 H ALA 62 H ALA 62 18.443 -12.093 -16.294 497 HA ALA 62 HA ALA 62 19.693 -14.532 -16.897 498 HB1 ALA 62 1HB ALA 62 17.436 -15.412 -17.204 499 HB2 ALA 62 2HB ALA 62 16.793 -13.770 -17.240 500 HB3 ALA 62 3HB ALA 62 17.530 -14.400 -15.764 501 H SER 63 H SER 63 18.013 -12.208 -18.965 502 HA SER 63 HA SER 63 18.143 -13.821 -21.303 503 HG SER 63 HG SER 63 16.123 -11.676 -19.982 504 HB2 SER 63 2HB SER 63 17.799 -10.821 -21.083 505 HB3 SER 63 1HB SER 63 17.409 -11.820 -22.484 506 H LEU 64 H LEU 64 20.362 -11.680 -19.737 507 HA LEU 64 HA LEU 64 21.996 -11.259 -22.073 508 HG LEU 64 HG LEU 64 23.738 -8.593 -20.213 509 HB2 LEU 64 2HB LEU 64 21.664 -9.736 -19.963 510 HB3 LEU 64 1HB LEU 64 22.912 -10.746 -19.267 511 HD11 LEU 64 1HD1 LEU 64 25.652 -9.539 -21.412 512 HD12 LEU 64 2HD1 LEU 64 24.813 -11.087 -21.514 513 HD13 LEU 64 3HD1 LEU 64 25.277 -10.439 -19.941 514 HD21 LEU 64 1HD2 LEU 64 22.260 -8.375 -22.096 515 HD22 LEU 64 2HD2 LEU 64 22.909 -9.845 -22.823 516 HD23 LEU 64 3HD2 LEU 64 23.929 -8.415 -22.667 517 H GLU 65 H GLU 65 22.182 -13.163 -19.097 518 HA GLU 65 HA GLU 65 24.728 -14.316 -19.782 519 HB2 GLU 65 2HB GLU 65 23.808 -13.943 -17.433 520 HB3 GLU 65 1HB GLU 65 22.793 -15.345 -17.710 521 HG2 GLU 65 2HG GLU 65 24.826 -16.692 -18.121 522 HG3 GLU 65 1HG GLU 65 25.803 -15.288 -17.702 523 H HIS 66 H HIS 66 21.642 -14.814 -20.778 524 HA HIS 66 HA HIS 66 20.556 -16.382 -22.022 525 HD1 HIS 66 1HD HIS 66 22.960 -20.049 -23.249 526 HD2 HIS 66 2HD HIS 66 20.035 -17.354 -24.457 527 HE1 HIS 66 1HE HIS 66 21.528 -21.298 -24.894 528 HE2 HIS 66 2HE HIS 66 19.894 -19.584 -25.763 529 HB2 HIS 66 2HB HIS 66 22.768 -16.571 -23.216 530 HB3 HIS 66 1HB HIS 66 23.196 -17.871 -22.114 531 H HIS 67 H HIS 67 20.723 -16.377 -19.198 532 HA HIS 67 HA HIS 67 20.616 -19.210 -18.418 533 HD1 HIS 67 1HD HIS 67 23.061 -18.353 -15.098 534 HD2 HIS 67 2HD HIS 67 19.156 -19.662 -15.700 535 HE1 HIS 67 1HE HIS 67 22.626 -20.055 -13.288 536 HE2 HIS 67 2HE HIS 67 20.313 -20.941 -13.764 537 HB2 HIS 67 2HB HIS 67 22.091 -17.485 -17.204 538 HB3 HIS 67 1HB HIS 67 20.594 -16.798 -16.592 539 H HIS 68 H HIS 68 18.507 -19.372 -19.520 540 HA HIS 68 HA HIS 68 16.346 -17.984 -18.064 541 HD1 HIS 68 1HD HIS 68 13.744 -19.119 -21.226 542 HD2 HIS 68 2HD HIS 68 14.766 -15.649 -19.172 543 HE1 HIS 68 1HE HIS 68 11.605 -17.818 -20.976 544 HE2 HIS 68 2HE HIS 68 12.295 -15.629 -19.933 545 HB2 HIS 68 2HB HIS 68 16.799 -17.264 -20.470 546 HB3 HIS 68 1HB HIS 68 16.222 -18.852 -20.953 547 H HIS 69 H HIS 69 14.491 -19.162 -17.583 548 HA HIS 69 HA HIS 69 14.829 -22.076 -17.719 549 HD1 HIS 69 1HD HIS 69 15.305 -23.099 -14.917 550 HD2 HIS 69 2HD HIS 69 14.743 -18.992 -14.568 551 HE1 HIS 69 1HE HIS 69 16.917 -22.338 -13.134 552 HE2 HIS 69 2HE HIS 69 16.396 -19.891 -12.792 553 HB2 HIS 69 2HB HIS 69 12.915 -20.419 -16.054 554 HB3 HIS 69 1HB HIS 69 13.078 -22.168 -15.982 555 H HIS 70 H HIS 70 13.386 -23.368 -18.782 556 HA HIS 70 HA HIS 70 10.930 -22.115 -19.794 557 HD1 HIS 70 1HD HIS 70 9.909 -24.502 -22.321 558 HD2 HIS 70 2HD HIS 70 11.333 -20.667 -23.036 559 HE1 HIS 70 1HE HIS 70 8.324 -23.495 -23.987 560 HE2 HIS 70 2HE HIS 70 9.334 -21.258 -24.564 561 HB2 HIS 70 2HB HIS 70 12.889 -22.296 -21.527 562 HB3 HIS 70 1HB HIS 70 12.450 -24.001 -21.566 563 H HIS 71 H HIS 71 10.002 -23.295 -18.011 564 HA HIS 71 HA HIS 71 9.150 -25.935 -18.811 565 HD1 HIS 71 1HD HIS 71 8.645 -27.084 -15.011 566 HD2 HIS 71 2HD HIS 71 10.573 -28.921 -18.207 567 HE1 HIS 71 1HE HIS 71 8.025 -29.519 -14.872 568 HE2 HIS 71 2HE HIS 71 9.295 -30.633 -16.744 569 HB2 HIS 71 2HB HIS 71 11.311 -26.318 -17.545 570 HB3 HIS 71 1HB HIS 71 10.520 -25.643 -16.124 571 HA MET 1 HA MET 1 -29.119 16.489 3.979 572 H1 MET 1 1H MET 1 -30.218 17.903 5.526 573 H2 MET 1 2H MET 1 -31.291 17.493 4.283 574 H3 MET 1 3H MET 1 -30.585 19.031 4.321 575 HB2 MET 1 2HB MET 1 -28.774 17.215 1.647 576 HB3 MET 1 1HB MET 1 -30.471 16.949 2.010 577 HG2 MET 1 2HG MET 1 -30.490 18.876 0.749 578 HG3 MET 1 1HG MET 1 -30.564 19.485 2.402 579 HE1 MET 1 1HE MET 1 -29.811 21.290 -0.090 580 HE2 MET 1 2HE MET 1 -28.441 22.218 0.528 581 HE3 MET 1 3HE MET 1 -29.848 21.911 1.552 582 H SER 2 H SER 2 -26.876 16.773 3.435 583 HA SER 2 HA SER 2 -24.806 17.661 3.650 584 HG SER 2 HG SER 2 -26.424 19.474 1.737 585 HB2 SER 2 2HB SER 2 -26.267 20.297 3.761 586 HB3 SER 2 1HB SER 2 -24.517 20.130 3.715 587 H GLU 3 H GLU 3 -27.113 17.834 5.946 588 HA GLU 3 HA GLU 3 -25.137 17.742 8.053 589 HB2 GLU 3 2HB GLU 3 -26.282 19.315 9.488 590 HB3 GLU 3 1HB GLU 3 -25.865 20.113 7.981 591 HG2 GLU 3 2HG GLU 3 -28.112 20.017 7.209 592 HG3 GLU 3 1HG GLU 3 -28.587 18.966 8.543 593 H GLY 4 H GLY 4 -26.779 17.530 10.213 594 HA2 GLY 4 2HA GLY 4 -28.382 16.195 11.230 595 HA3 GLY 4 1HA GLY 4 -28.950 15.725 9.632 596 H ALA 5 H ALA 5 -28.235 14.206 12.138 597 HA ALA 5 HA ALA 5 -25.831 12.801 11.763 598 HB1 ALA 5 1HB ALA 5 -28.308 11.870 13.210 599 HB2 ALA 5 2HB ALA 5 -27.047 12.896 13.894 600 HB3 ALA 5 3HB ALA 5 -26.674 11.241 13.414 601 H GLU 6 H GLU 6 -28.926 12.427 10.248 602 HA GLU 6 HA GLU 6 -28.730 9.674 9.610 603 HB2 GLU 6 2HB GLU 6 -30.288 11.854 8.219 604 HB3 GLU 6 1HB GLU 6 -30.529 10.126 7.995 605 HG2 GLU 6 2HG GLU 6 -31.140 9.919 10.344 606 HG3 GLU 6 1HG GLU 6 -30.929 11.653 10.553 607 H GLU 7 H GLU 7 -28.224 12.540 7.582 608 HA GLU 7 HA GLU 7 -27.276 10.995 5.375 609 HB2 GLU 7 2HB GLU 7 -28.324 13.388 5.423 610 HB3 GLU 7 1HB GLU 7 -26.672 13.914 5.702 611 HG2 GLU 7 2HG GLU 7 -25.960 12.845 3.637 612 HG3 GLU 7 1HG GLU 7 -27.603 12.273 3.357 613 H LEU 8 H LEU 8 -25.814 12.597 8.080 614 HA LEU 8 HA LEU 8 -23.132 12.463 7.229 615 HG LEU 8 HG LEU 8 -22.094 14.211 8.658 616 HB2 LEU 8 2HB LEU 8 -24.606 12.940 9.734 617 HB3 LEU 8 1HB LEU 8 -22.985 12.325 9.935 618 HD11 LEU 8 1HD1 LEU 8 -23.524 16.080 8.027 619 HD12 LEU 8 2HD1 LEU 8 -24.944 15.161 8.530 620 HD13 LEU 8 3HD1 LEU 8 -23.968 14.602 7.173 621 HD21 LEU 8 1HD2 LEU 8 -22.265 14.439 11.058 622 HD22 LEU 8 2HD2 LEU 8 -23.929 15.006 10.911 623 HD23 LEU 8 3HD2 LEU 8 -22.604 15.987 10.285 624 H LYS 9 H LYS 9 -25.241 10.214 8.942 625 HA LYS 9 HA LYS 9 -23.160 8.314 9.454 626 HB2 LYS 9 2HB LYS 9 -25.410 8.653 10.696 627 HB3 LYS 9 1HB LYS 9 -26.091 7.665 9.416 628 HG2 LYS 9 2HG LYS 9 -24.847 5.786 10.040 629 HG3 LYS 9 1HG LYS 9 -23.755 6.739 11.048 630 HD2 LYS 9 2HD LYS 9 -25.661 7.258 12.541 631 HD3 LYS 9 1HD LYS 9 -26.674 6.194 11.563 632 HE2 LYS 9 2HE LYS 9 -25.370 4.288 12.146 633 HE3 LYS 9 1HE LYS 9 -24.138 5.296 12.909 634 HZ1 LYS 9 1HZ LYS 9 -25.669 4.197 14.496 635 HZ2 LYS 9 2HZ LYS 9 -26.949 5.109 13.854 636 HZ3 LYS 9 3HZ LYS 9 -25.657 5.885 14.629 637 H ALA 10 H ALA 10 -25.596 8.798 6.977 638 HA ALA 10 HA ALA 10 -25.218 6.412 5.551 639 HB1 ALA 10 1HB ALA 10 -27.045 8.008 5.105 640 HB2 ALA 10 2HB ALA 10 -26.160 7.568 3.644 641 HB3 ALA 10 3HB ALA 10 -25.871 9.129 4.413 642 H LYS 11 H LYS 11 -23.604 9.554 5.282 643 HA LYS 11 HA LYS 11 -21.696 8.842 3.335 644 HB2 LYS 11 2HB LYS 11 -22.148 11.165 4.078 645 HB3 LYS 11 1HB LYS 11 -21.418 10.796 5.631 646 HG2 LYS 11 2HG LYS 11 -19.843 12.003 4.281 647 HG3 LYS 11 1HG LYS 11 -19.279 10.344 4.493 648 HD2 LYS 11 2HD LYS 11 -20.207 9.794 2.264 649 HD3 LYS 11 1HD LYS 11 -20.647 11.489 2.054 650 HE2 LYS 11 2HE LYS 11 -18.275 12.107 2.301 651 HE3 LYS 11 1HE LYS 11 -17.861 10.398 2.435 652 HZ1 LYS 11 1HZ LYS 11 -17.491 11.089 0.203 653 HZ2 LYS 11 2HZ LYS 11 -19.037 11.782 0.090 654 HZ3 LYS 11 3HZ LYS 11 -18.871 10.099 0.202 655 H LEU 12 H LEU 12 -21.581 8.769 6.863 656 HA LEU 12 HA LEU 12 -18.993 7.780 7.204 657 HG LEU 12 HG LEU 12 -19.632 5.806 9.607 658 HB2 LEU 12 2HB LEU 12 -20.355 8.681 9.020 659 HB3 LEU 12 1HB LEU 12 -21.456 7.325 8.894 660 HD11 LEU 12 1HD1 LEU 12 -17.572 6.715 10.503 661 HD12 LEU 12 2HD1 LEU 12 -18.081 8.348 10.073 662 HD13 LEU 12 3HD1 LEU 12 -17.748 7.167 8.806 663 HD21 LEU 12 1HD2 LEU 12 -20.170 8.115 11.471 664 HD22 LEU 12 2HD2 LEU 12 -19.590 6.518 11.947 665 HD23 LEU 12 3HD2 LEU 12 -21.199 6.702 11.247 666 H LYS 13 H LYS 13 -22.042 6.025 6.708 667 HA LYS 13 HA LYS 13 -21.052 3.427 7.059 668 HB2 LYS 13 2HB LYS 13 -23.471 4.040 6.851 669 HB3 LYS 13 1HB LYS 13 -23.220 4.268 5.127 670 HG2 LYS 13 2HG LYS 13 -22.565 1.933 4.901 671 HG3 LYS 13 1HG LYS 13 -22.804 1.694 6.631 672 HD2 LYS 13 2HD LYS 13 -25.181 2.228 6.375 673 HD3 LYS 13 1HD LYS 13 -24.937 2.478 4.642 674 HE2 LYS 13 2HE LYS 13 -24.250 0.166 4.384 675 HE3 LYS 13 1HE LYS 13 -24.413 -0.101 6.117 676 HZ1 LYS 13 1HZ LYS 13 -26.326 -0.950 4.974 677 HZ2 LYS 13 2HZ LYS 13 -26.605 0.541 4.214 678 HZ3 LYS 13 3HZ LYS 13 -26.797 0.397 5.896 679 H LYS 14 H LYS 14 -21.387 5.356 4.098 680 HA LYS 14 HA LYS 14 -20.300 3.625 2.260 681 HB2 LYS 14 2HB LYS 14 -21.324 5.797 1.721 682 HB3 LYS 14 1HB LYS 14 -19.940 6.623 2.420 683 HG2 LYS 14 2HG LYS 14 -19.837 6.579 -0.014 684 HG3 LYS 14 1HG LYS 14 -18.491 5.693 0.707 685 HD2 LYS 14 2HD LYS 14 -19.353 4.428 -1.137 686 HD3 LYS 14 1HD LYS 14 -19.752 3.588 0.354 687 HE2 LYS 14 2HE LYS 14 -22.017 4.441 0.260 688 HE3 LYS 14 1HE LYS 14 -21.629 5.390 -1.174 689 HZ1 LYS 14 1HZ LYS 14 -21.420 2.431 -1.076 690 HZ2 LYS 14 2HZ LYS 14 -21.347 3.427 -2.446 691 HZ3 LYS 14 3HZ LYS 14 -22.811 3.249 -1.603 692 H LEU 15 H LEU 15 -18.609 5.937 4.350 693 HA LEU 15 HA LEU 15 -16.013 5.324 3.393 694 HG LEU 15 HG LEU 15 -17.479 7.986 4.016 695 HB2 LEU 15 2HB LEU 15 -16.946 6.604 5.960 696 HB3 LEU 15 1HB LEU 15 -15.269 6.521 5.462 697 HD11 LEU 15 1HD1 LEU 15 -16.800 9.100 6.052 698 HD12 LEU 15 2HD1 LEU 15 -16.196 9.983 4.651 699 HD13 LEU 15 3HD1 LEU 15 -15.104 8.966 5.588 700 HD21 LEU 15 1HD2 LEU 15 -15.699 8.820 2.556 701 HD22 LEU 15 2HD2 LEU 15 -15.858 7.067 2.443 702 HD23 LEU 15 3HD2 LEU 15 -14.537 7.775 3.374 703 H ASN 16 H ASN 16 -17.874 4.229 6.195 704 HA ASN 16 HA ASN 16 -15.890 2.662 7.410 705 HB2 ASN 16 2HB ASN 16 -18.074 3.353 8.441 706 HB3 ASN 16 1HB ASN 16 -18.879 2.164 7.427 707 HD21 ASN 16 1HD2 ASN 16 -18.705 2.423 10.339 708 HD22 ASN 16 2HD2 ASN 16 -18.055 0.919 10.901 709 H ALA 17 H ALA 17 -18.413 1.794 5.061 710 HA ALA 17 HA ALA 17 -17.774 -0.936 4.875 711 HB1 ALA 17 1HB ALA 17 -19.039 -0.916 2.789 712 HB2 ALA 17 2HB ALA 17 -19.001 0.846 2.774 713 HB3 ALA 17 3HB ALA 17 -19.876 -0.003 4.046 714 H GLN 18 H GLN 18 -16.678 1.857 2.993 715 HA GLN 18 HA GLN 18 -15.104 0.464 1.133 716 HB2 GLN 18 2HB GLN 18 -15.801 2.900 1.041 717 HB3 GLN 18 1HB GLN 18 -14.525 3.229 2.204 718 HG2 GLN 18 2HG GLN 18 -13.660 3.741 0.070 719 HG3 GLN 18 1HG GLN 18 -12.911 2.224 0.572 720 HE21 GLN 18 1HE2 GLN 18 -15.146 3.739 -1.598 721 HE22 GLN 18 2HE2 GLN 18 -15.325 2.401 -2.674 722 H ALA 19 H ALA 19 -14.243 1.976 4.231 723 HA ALA 19 HA ALA 19 -11.508 1.352 4.195 724 HB1 ALA 19 1HB ALA 19 -13.320 1.692 6.584 725 HB2 ALA 19 2HB ALA 19 -12.481 2.986 5.728 726 HB3 ALA 19 3HB ALA 19 -11.559 1.765 6.604 727 H THR 20 H THR 20 -14.286 -0.461 5.435 728 HA THR 20 HA THR 20 -12.768 -2.557 6.594 729 HB THR 20 HB THR 20 -15.629 -2.658 5.608 730 HG1 THR 20 1HG THR 20 -15.474 -1.018 7.127 731 HG21 THR 20 1HG2 THR 20 -14.685 -4.874 6.069 732 HG22 THR 20 2HG2 THR 20 -15.895 -4.438 7.276 733 HG23 THR 20 3HG2 THR 20 -14.180 -4.330 7.669 734 H ALA 21 H ALA 21 -14.192 -2.076 3.395 735 HA ALA 21 HA ALA 21 -13.738 -4.664 2.388 736 HB1 ALA 21 1HB ALA 21 -13.988 -3.653 0.178 737 HB2 ALA 21 2HB ALA 21 -13.836 -2.046 0.891 738 HB3 ALA 21 3HB ALA 21 -15.221 -3.064 1.293 739 H LEU 22 H LEU 22 -11.779 -1.704 2.155 740 HA LEU 22 HA LEU 22 -9.629 -2.946 0.785 741 HG LEU 22 HG LEU 22 -9.160 0.624 0.096 742 HB2 LEU 22 2HB LEU 22 -9.993 -0.346 2.207 743 HB3 LEU 22 1HB LEU 22 -8.369 -0.867 1.807 744 HD11 LEU 22 1HD1 LEU 22 -9.154 -2.231 -0.867 745 HD12 LEU 22 2HD1 LEU 22 -7.745 -1.189 -0.654 746 HD13 LEU 22 3HD1 LEU 22 -8.948 -0.809 -1.887 747 HD21 LEU 22 1HD2 LEU 22 -11.560 0.351 0.415 748 HD22 LEU 22 2HD2 LEU 22 -11.473 -1.273 -0.264 749 HD23 LEU 22 3HD2 LEU 22 -11.115 0.124 -1.278 750 H LYS 23 H LYS 23 -10.415 -2.546 4.166 751 HA LYS 23 HA LYS 23 -8.003 -3.159 5.377 752 HB2 LYS 23 2HB LYS 23 -9.981 -2.497 6.638 753 HB3 LYS 23 1HB LYS 23 -10.798 -3.986 6.184 754 HG2 LYS 23 2HG LYS 23 -9.126 -5.270 7.439 755 HG3 LYS 23 1HG LYS 23 -8.349 -3.760 7.921 756 HD2 LYS 23 2HD LYS 23 -10.392 -3.066 9.062 757 HD3 LYS 23 1HD LYS 23 -11.190 -4.556 8.558 758 HE2 LYS 23 2HE LYS 23 -9.532 -5.857 9.823 759 HE3 LYS 23 1HE LYS 23 -8.769 -4.354 10.348 760 HZ1 LYS 23 1HZ LYS 23 -11.556 -5.198 10.957 761 HZ2 LYS 23 2HZ LYS 23 -10.839 -3.743 11.451 762 HZ3 LYS 23 3HZ LYS 23 -10.254 -5.218 12.041 763 H MET 24 H MET 24 -10.541 -5.410 4.305 764 HA MET 24 HA MET 24 -8.968 -7.723 4.930 765 HB2 MET 24 2HB MET 24 -11.430 -7.767 4.978 766 HB3 MET 24 1HB MET 24 -11.468 -7.461 3.246 767 HG2 MET 24 2HG MET 24 -10.361 -9.582 2.832 768 HG3 MET 24 1HG MET 24 -10.271 -9.888 4.566 769 HE1 MET 24 1HE MET 24 -13.073 -8.743 5.534 770 HE2 MET 24 2HE MET 24 -12.450 -10.288 6.110 771 HE3 MET 24 3HE MET 24 -14.094 -10.178 5.481 772 H ASP 25 H ASP 25 -9.628 -5.822 2.053 773 HA ASP 25 HA ASP 25 -8.680 -7.676 0.141 774 HB2 ASP 25 2HB ASP 25 -10.093 -5.518 -0.178 775 HB3 ASP 25 1HB ASP 25 -8.539 -4.695 -0.243 776 H LEU 26 H LEU 26 -7.110 -4.973 1.817 777 HA LEU 26 HA LEU 26 -4.614 -5.213 0.501 778 HG LEU 26 HG LEU 26 -2.846 -4.437 2.960 779 HB2 LEU 26 2HB LEU 26 -5.261 -3.174 1.659 780 HB3 LEU 26 1HB LEU 26 -5.303 -4.026 3.190 781 HD11 LEU 26 1HD1 LEU 26 -3.073 -2.484 0.673 782 HD12 LEU 26 2HD1 LEU 26 -2.703 -4.203 0.521 783 HD13 LEU 26 3HD1 LEU 26 -1.579 -3.128 1.353 784 HD21 LEU 26 1HD2 LEU 26 -2.195 -2.161 3.567 785 HD22 LEU 26 2HD2 LEU 26 -3.712 -2.621 4.340 786 HD23 LEU 26 3HD2 LEU 26 -3.726 -1.553 2.938 787 H HIS 27 H HIS 27 -5.816 -6.469 3.594 788 HA HIS 27 HA HIS 27 -3.374 -7.631 4.395 789 HD1 HIS 27 1HD HIS 27 -6.180 -10.608 6.292 790 HD2 HIS 27 2HD HIS 27 -2.666 -8.496 7.012 791 HE1 HIS 27 1HE HIS 27 -4.799 -12.075 7.803 792 HE2 HIS 27 2HE HIS 27 -2.614 -10.855 8.081 793 HB2 HIS 27 2HB HIS 27 -5.202 -7.199 5.974 794 HB3 HIS 27 1HB HIS 27 -6.194 -8.412 5.170 795 H ASP 28 H ASP 28 -6.134 -8.926 2.601 796 HA ASP 28 HA ASP 28 -5.288 -11.584 2.399 797 HB2 ASP 28 2HB ASP 28 -7.531 -10.919 1.757 798 HB3 ASP 28 1HB ASP 28 -6.898 -9.900 0.472 799 H LEU 29 H LEU 29 -4.567 -8.771 0.393 800 HA LEU 29 HA LEU 29 -3.004 -10.150 -1.529 801 HG LEU 29 HG LEU 29 -0.998 -7.728 -2.038 802 HB2 LEU 29 2HB LEU 29 -4.010 -7.973 -1.957 803 HB3 LEU 29 1HB LEU 29 -3.027 -7.248 -0.701 804 HD11 LEU 29 1HD1 LEU 29 -1.228 -8.400 -4.374 805 HD12 LEU 29 2HD1 LEU 29 -2.961 -8.633 -4.140 806 HD13 LEU 29 3HD1 LEU 29 -1.809 -9.658 -3.285 807 HD21 LEU 29 1HD2 LEU 29 -2.097 -5.560 -2.202 808 HD22 LEU 29 2HD2 LEU 29 -3.140 -6.174 -3.485 809 HD23 LEU 29 3HD2 LEU 29 -1.402 -6.031 -3.751 810 H ALA 30 H ALA 30 -2.242 -8.528 1.510 811 HA ALA 30 HA ALA 30 0.577 -8.586 1.224 812 HB1 ALA 30 1HB ALA 30 -1.042 -8.487 3.765 813 HB2 ALA 30 2HB ALA 30 -0.611 -7.091 2.774 814 HB3 ALA 30 3HB ALA 30 0.650 -8.029 3.575 815 H GLU 31 H GLU 31 -1.727 -10.844 2.671 816 HA GLU 31 HA GLU 31 0.252 -12.573 3.753 817 HB2 GLU 31 2HB GLU 31 -2.638 -13.125 3.070 818 HB3 GLU 31 1HB GLU 31 -1.609 -14.127 4.073 819 HG2 GLU 31 2HG GLU 31 -2.589 -11.358 4.675 820 HG3 GLU 31 1HG GLU 31 -3.040 -12.858 5.485 821 H ASP 32 H ASP 32 -1.072 -12.114 0.638 822 HA ASP 32 HA ASP 32 -0.111 -14.756 -0.241 823 HB2 ASP 32 2HB ASP 32 -2.621 -14.071 -0.445 824 HB3 ASP 32 1HB ASP 32 -2.068 -13.118 -1.816 825 H LEU 33 H LEU 33 1.356 -12.224 0.072 826 HA LEU 33 HA LEU 33 1.977 -10.819 -2.157 827 HG LEU 33 HG LEU 33 2.196 -9.740 0.448 828 HB2 LEU 33 2HB LEU 33 3.589 -11.727 0.170 829 HB3 LEU 33 1HB LEU 33 4.432 -10.971 -1.172 830 HD11 LEU 33 1HD1 LEU 33 5.123 -9.040 0.262 831 HD12 LEU 33 2HD1 LEU 33 4.342 -9.848 1.620 832 HD13 LEU 33 3HD1 LEU 33 3.907 -8.189 1.211 833 HD21 LEU 33 1HD2 LEU 33 2.603 -7.719 -0.868 834 HD22 LEU 33 2HD2 LEU 33 2.081 -9.051 -1.903 835 HD23 LEU 33 3HD2 LEU 33 3.782 -8.585 -1.851 836 HA PRO 34 HA PRO 34 3.755 -11.107 -5.530 837 HB2 PRO 34 2HB PRO 34 5.512 -13.485 -5.008 838 HB3 PRO 34 1HB PRO 34 5.681 -12.227 -6.243 839 HG2 PRO 34 2HG PRO 34 6.861 -12.145 -3.715 840 HG3 PRO 34 1HG PRO 34 6.602 -10.745 -4.769 841 HD2 PRO 34 2HD PRO 34 5.403 -11.169 -2.248 842 HD3 PRO 34 1HD PRO 34 4.885 -9.975 -3.462 843 H THR 35 H THR 35 2.196 -11.571 -6.577 844 HA THR 35 HA THR 35 1.552 -13.839 -7.950 845 HB THR 35 HB THR 35 -0.147 -13.563 -5.454 846 HG1 THR 35 1HG THR 35 1.662 -15.054 -5.459 847 HG21 THR 35 1HG2 THR 35 -0.833 -15.071 -7.982 848 HG22 THR 35 2HG2 THR 35 -1.660 -13.640 -7.369 849 HG23 THR 35 3HG2 THR 35 -1.728 -15.151 -6.464 850 H GLY 36 H GLY 36 -0.321 -11.433 -6.105 851 HA2 GLY 36 2HA GLY 36 -1.059 -10.156 -8.673 852 HA3 GLY 36 1HA GLY 36 -2.183 -10.305 -7.330 853 H TRP 37 H TRP 37 1.158 -9.610 -6.793 854 HA TRP 37 HA TRP 37 0.661 -7.350 -5.211 855 HD1 TRP 37 HD TRP 37 2.814 -10.500 -7.004 856 HE1 TRP 37 1HE TRP 37 4.644 -10.633 -8.804 857 HE3 TRP 37 3HE TRP 37 4.758 -5.791 -6.518 858 HZ2 TRP 37 2HZ TRP 37 6.647 -8.952 -9.877 859 HZ3 TRP 37 3HZ TRP 37 6.632 -5.135 -7.973 860 HH2 TRP 37 HH TRP 37 7.556 -6.685 -9.618 861 HB2 TRP 37 2HB TRP 37 3.126 -7.089 -5.200 862 HB3 TRP 37 1HB TRP 37 2.613 -8.735 -4.844 863 H ASN 38 H ASN 38 0.775 -7.636 -8.568 864 HA ASN 38 HA ASN 38 1.861 -5.115 -9.276 865 HB2 ASN 38 2HB ASN 38 1.507 -7.040 -10.855 866 HB3 ASN 38 1HB ASN 38 -0.222 -6.714 -10.793 867 HD21 ASN 38 1HD2 ASN 38 -0.441 -6.220 -12.921 868 HD22 ASN 38 2HD2 ASN 38 0.246 -4.806 -13.651 869 H ARG 39 H ARG 39 -0.997 -6.001 -7.712 870 HA ARG 39 HA ARG 39 -2.379 -3.519 -8.480 871 HE ARG 39 HE ARG 39 -7.489 -3.927 -7.973 872 HB2 ARG 39 2HB ARG 39 -3.573 -5.731 -8.637 873 HB3 ARG 39 1HB ARG 39 -3.450 -5.858 -6.891 874 HG2 ARG 39 2HG ARG 39 -4.739 -3.737 -6.709 875 HG3 ARG 39 1HG ARG 39 -4.972 -3.788 -8.458 876 HD2 ARG 39 2HD ARG 39 -6.079 -5.966 -8.231 877 HD3 ARG 39 1HD ARG 39 -5.858 -5.892 -6.485 878 HH11 ARG 39 1HH1 ARG 39 -6.991 -6.090 -5.261 879 HH12 ARG 39 2HH1 ARG 39 -8.482 -5.673 -4.480 880 HH21 ARG 39 1HH2 ARG 39 -9.479 -3.382 -6.960 881 HH22 ARG 39 2HH2 ARG 39 -9.912 -4.160 -5.467 882 H ILE 40 H ILE 40 -0.155 -4.356 -6.283 883 HA ILE 40 HA ILE 40 -1.352 -3.961 -3.773 884 HB ILE 40 HB ILE 40 0.912 -5.005 -4.250 885 HG12 ILE 40 2HG1 ILE 40 0.697 -2.963 -2.036 886 HG13 ILE 40 1HG1 ILE 40 0.060 -4.600 -1.988 887 HG21 ILE 40 1HG2 ILE 40 2.869 -3.531 -4.130 888 HG22 ILE 40 2HG2 ILE 40 1.803 -2.128 -4.205 889 HG23 ILE 40 3HG2 ILE 40 1.900 -3.236 -5.574 890 HD11 ILE 40 1HD1 ILE 40 2.963 -3.842 -2.164 891 HD12 ILE 40 2HD1 ILE 40 2.328 -5.487 -2.124 892 HD13 ILE 40 3HD1 ILE 40 2.120 -4.424 -0.731 893 H MET 41 H MET 41 0.061 -1.679 -6.036 894 HA MET 41 HA MET 41 0.239 0.523 -4.271 895 HB2 MET 41 2HB MET 41 -0.121 0.519 -7.274 896 HB3 MET 41 1HB MET 41 0.354 1.912 -6.312 897 HG2 MET 41 2HG MET 41 1.915 -0.645 -6.613 898 HG3 MET 41 1HG MET 41 2.261 0.881 -7.425 899 HE1 MET 41 1HE MET 41 3.094 3.035 -6.240 900 HE2 MET 41 2HE MET 41 3.393 3.185 -4.506 901 HE3 MET 41 3HE MET 41 1.742 3.031 -5.107 902 H GLU 42 H GLU 42 -2.250 -0.355 -6.659 903 HA GLU 42 HA GLU 42 -3.976 1.793 -6.228 904 HB2 GLU 42 2HB GLU 42 -4.104 0.034 -8.054 905 HB3 GLU 42 1HB GLU 42 -4.869 -1.018 -6.877 906 HG2 GLU 42 2HG GLU 42 -6.643 0.664 -6.572 907 HG3 GLU 42 1HG GLU 42 -5.901 1.629 -7.846 908 H VAL 43 H VAL 43 -3.912 -1.396 -4.712 909 HA VAL 43 HA VAL 43 -6.116 -1.042 -3.014 910 HB VAL 43 HB VAL 43 -3.661 -2.729 -2.478 911 HG11 VAL 43 1HG1 VAL 43 -5.160 -4.060 -1.076 912 HG12 VAL 43 2HG1 VAL 43 -6.469 -2.922 -1.394 913 HG13 VAL 43 3HG1 VAL 43 -5.044 -2.395 -0.500 914 HG21 VAL 43 1HG2 VAL 43 -4.652 -3.270 -4.637 915 HG22 VAL 43 2HG2 VAL 43 -6.239 -3.429 -3.885 916 HG23 VAL 43 3HG2 VAL 43 -4.952 -4.564 -3.478 917 H ALA 44 H ALA 44 -2.660 -0.400 -2.494 918 HA ALA 44 HA ALA 44 -2.862 0.479 0.164 919 HB1 ALA 44 1HB ALA 44 -0.736 -0.107 -0.856 920 HB2 ALA 44 2HB ALA 44 -0.684 1.537 -0.215 921 HB3 ALA 44 3HB ALA 44 -0.864 1.270 -1.949 922 H GLU 45 H GLU 45 -3.046 2.265 -2.905 923 HA GLU 45 HA GLU 45 -3.314 4.852 -1.975 924 HB2 GLU 45 2HB GLU 45 -4.719 3.507 -4.293 925 HB3 GLU 45 1HB GLU 45 -4.647 5.236 -4.045 926 HG2 GLU 45 2HG GLU 45 -2.217 5.175 -4.276 927 HG3 GLU 45 1HG GLU 45 -2.298 3.432 -4.524 928 H LYS 46 H LYS 46 -5.922 2.550 -2.683 929 HA LYS 46 HA LYS 46 -7.984 4.271 -1.811 930 HB2 LYS 46 2HB LYS 46 -7.828 1.862 -3.170 931 HB3 LYS 46 1HB LYS 46 -8.638 1.434 -1.668 932 HG2 LYS 46 2HG LYS 46 -10.238 1.997 -3.416 933 HG3 LYS 46 1HG LYS 46 -10.328 3.138 -2.072 934 HD2 LYS 46 2HD LYS 46 -10.438 4.277 -4.249 935 HD3 LYS 46 1HD LYS 46 -9.011 4.755 -3.328 936 HE2 LYS 46 2HE LYS 46 -7.656 3.183 -4.639 937 HE3 LYS 46 1HE LYS 46 -9.087 2.729 -5.564 938 HZ1 LYS 46 1HZ LYS 46 -9.250 4.989 -6.378 939 HZ2 LYS 46 2HZ LYS 46 -7.718 4.346 -6.735 940 HZ3 LYS 46 3HZ LYS 46 -7.898 5.451 -5.465 941 H THR 47 H THR 47 -6.247 1.635 -0.207 942 HA THR 47 HA THR 47 -7.786 1.521 2.131 943 HB THR 47 HB THR 47 -4.815 0.997 1.856 944 HG1 THR 47 1HG THR 47 -5.860 -0.373 0.466 945 HG21 THR 47 1HG2 THR 47 -5.502 1.207 4.184 946 HG22 THR 47 2HG2 THR 47 -5.127 -0.473 3.802 947 HG23 THR 47 3HG2 THR 47 -6.807 0.049 3.921 948 H TYR 48 H TYR 48 -4.822 3.374 1.430 949 HA TYR 48 HA TYR 48 -4.643 4.631 3.936 950 HD1 TYR 48 1HD TYR 48 -3.023 5.943 4.887 951 HD2 TYR 48 2HD TYR 48 -2.782 7.659 1.001 952 HE1 TYR 48 1HE TYR 48 -2.162 8.026 5.863 953 HE2 TYR 48 2HE TYR 48 -1.913 9.746 1.972 954 HH TYR 48 HH TYR 48 -0.882 9.942 5.250 955 HB2 TYR 48 2HB TYR 48 -2.751 4.601 2.417 956 HB3 TYR 48 1HB TYR 48 -3.652 5.528 1.223 957 H GLU 49 H GLU 49 -6.099 5.721 0.881 958 HA GLU 49 HA GLU 49 -6.892 8.250 1.733 959 HB2 GLU 49 2HB GLU 49 -7.819 6.405 -0.424 960 HB3 GLU 49 1HB GLU 49 -8.677 7.904 -0.121 961 HG2 GLU 49 2HG GLU 49 -6.581 9.143 -0.434 962 HG3 GLU 49 1HG GLU 49 -5.771 7.624 -0.811 963 H ALA 50 H ALA 50 -8.685 5.178 1.857 964 HA ALA 50 HA ALA 50 -11.138 6.277 2.689 965 HB1 ALA 50 1HB ALA 50 -11.737 4.015 3.386 966 HB2 ALA 50 2HB ALA 50 -10.048 3.520 3.285 967 HB3 ALA 50 3HB ALA 50 -10.918 3.986 1.824 968 H TYR 51 H TYR 51 -8.440 4.968 4.648 969 HA TYR 51 HA TYR 51 -9.674 5.500 7.135 970 HD1 TYR 51 1HD TYR 51 -9.564 3.703 8.388 971 HD2 TYR 51 2HD TYR 51 -6.161 2.990 5.946 972 HE1 TYR 51 1HE TYR 51 -9.944 1.282 8.577 973 HE2 TYR 51 2HE TYR 51 -6.532 0.567 6.126 974 HH TYR 51 HH TYR 51 -7.620 -1.032 7.499 975 HB2 TYR 51 2HB TYR 51 -6.777 5.161 6.362 976 HB3 TYR 51 1HB TYR 51 -7.310 5.368 8.022 977 H ARG 52 H ARG 52 -7.521 7.345 5.062 978 HA ARG 52 HA ARG 52 -7.123 9.599 6.658 979 HE ARG 52 HE ARG 52 -6.691 13.827 4.730 980 HB2 ARG 52 2HB ARG 52 -5.849 9.329 4.663 981 HB3 ARG 52 1HB ARG 52 -7.291 9.207 3.670 982 HG2 ARG 52 2HG ARG 52 -6.312 11.323 3.272 983 HG3 ARG 52 1HG ARG 52 -7.779 11.585 4.217 984 HD2 ARG 52 2HD ARG 52 -6.462 11.845 6.236 985 HD3 ARG 52 1HD ARG 52 -4.981 11.492 5.340 986 HH11 ARG 52 1HH1 ARG 52 -3.561 12.418 5.467 987 HH12 ARG 52 2HH1 ARG 52 -2.671 13.838 5.003 988 HH21 ARG 52 1HH2 ARG 52 -5.519 15.714 4.175 989 HH22 ARG 52 2HH2 ARG 52 -3.788 15.717 4.287 990 H GLN 53 H GLN 53 -9.599 9.019 4.178 991 HA GLN 53 HA GLN 53 -11.054 11.398 4.554 992 HB2 GLN 53 2HB GLN 53 -11.900 8.679 3.520 993 HB3 GLN 53 1HB GLN 53 -12.894 10.114 3.399 994 HG2 GLN 53 2HG GLN 53 -11.108 11.185 2.061 995 HG3 GLN 53 1HG GLN 53 -10.207 9.671 2.124 996 HE21 GLN 53 1HE2 GLN 53 -11.174 11.062 -0.198 997 HE22 GLN 53 2HE2 GLN 53 -12.247 9.982 -1.016 998 H LEU 54 H LEU 54 -11.330 8.217 6.066 999 HA LEU 54 HA LEU 54 -13.716 8.663 7.480 1000 HG LEU 54 HG LEU 54 -13.101 7.140 10.068 1001 HB2 LEU 54 2HB LEU 54 -12.610 6.457 7.167 1002 HB3 LEU 54 1HB LEU 54 -11.365 6.949 8.298 1003 HD11 LEU 54 1HD1 LEU 54 -14.890 5.909 7.978 1004 HD12 LEU 54 2HD1 LEU 54 -15.030 7.537 8.639 1005 HD13 LEU 54 3HD1 LEU 54 -15.295 6.137 9.680 1006 HD21 LEU 54 1HD2 LEU 54 -11.762 5.131 9.885 1007 HD22 LEU 54 2HD2 LEU 54 -12.883 4.467 8.696 1008 HD23 LEU 54 3HD2 LEU 54 -13.411 4.722 10.360 1009 H ASP 55 H ASP 55 -10.325 9.075 8.482 1010 HA ASP 55 HA ASP 55 -10.899 10.057 11.071 1011 HB2 ASP 55 2HB ASP 55 -8.697 9.183 10.522 1012 HB3 ASP 55 1HB ASP 55 -8.457 10.450 9.322 1013 H GLU 56 H GLU 56 -10.265 11.681 7.995 1014 HA GLU 56 HA GLU 56 -10.375 14.312 8.960 1015 HB2 GLU 56 2HB GLU 56 -10.689 13.034 6.284 1016 HB3 GLU 56 1HB GLU 56 -11.116 14.727 6.452 1017 HG2 GLU 56 2HG GLU 56 -8.799 15.007 7.512 1018 HG3 GLU 56 1HG GLU 56 -8.455 13.409 6.854 1019 H PHE 57 H PHE 57 -12.937 12.225 7.682 1020 HA PHE 57 HA PHE 57 -15.005 14.124 7.855 1021 HD1 PHE 57 2HD PHE 57 -17.171 13.599 6.251 1022 HD2 PHE 57 1HD PHE 57 -17.091 10.685 9.356 1023 HE1 PHE 57 2HE PHE 57 -19.618 13.764 6.463 1024 HE2 PHE 57 1HE PHE 57 -19.538 10.845 9.573 1025 HZ PHE 57 HZ PHE 57 -20.802 12.389 8.125 1026 HB2 PHE 57 2HB PHE 57 -15.224 12.020 6.605 1027 HB3 PHE 57 1HB PHE 57 -15.146 11.112 8.110 1028 H ARG 58 H ARG 58 -13.772 11.748 10.156 1029 HA ARG 58 HA ARG 58 -15.646 12.172 12.196 1030 HE ARG 58 HE ARG 58 -17.151 10.408 12.350 1031 HB2 ARG 58 2HB ARG 58 -12.854 11.111 12.071 1032 HB3 ARG 58 1HB ARG 58 -13.617 11.364 13.627 1033 HG2 ARG 58 2HG ARG 58 -14.933 9.741 11.484 1034 HG3 ARG 58 1HG ARG 58 -13.752 9.041 12.588 1035 HD2 ARG 58 2HD ARG 58 -15.863 8.600 13.532 1036 HD3 ARG 58 1HD ARG 58 -15.167 9.914 14.475 1037 HH11 ARG 58 1HH1 ARG 58 -15.934 10.940 15.590 1038 HH12 ARG 58 2HH1 ARG 58 -17.291 11.924 16.070 1039 HH21 ARG 58 1HH2 ARG 58 -18.944 11.707 13.000 1040 HH22 ARG 58 2HH2 ARG 58 -18.982 12.356 14.611 1041 H LYS 59 H LYS 59 -12.474 13.631 11.600 1042 HA LYS 59 HA LYS 59 -12.309 15.142 13.963 1043 HB2 LYS 59 2HB LYS 59 -10.475 14.592 12.265 1044 HB3 LYS 59 1HB LYS 59 -11.109 15.919 11.305 1045 HG2 LYS 59 2HG LYS 59 -9.210 16.673 12.560 1046 HG3 LYS 59 1HG LYS 59 -10.665 17.450 13.190 1047 HD2 LYS 59 2HD LYS 59 -10.714 16.022 15.082 1048 HD3 LYS 59 1HD LYS 59 -9.498 14.949 14.388 1049 HE2 LYS 59 2HE LYS 59 -8.532 16.347 16.132 1050 HE3 LYS 59 1HE LYS 59 -7.828 16.720 14.561 1051 HZ1 LYS 59 1HZ LYS 59 -10.027 18.284 15.800 1052 HZ2 LYS 59 2HZ LYS 59 -9.131 18.688 14.413 1053 HZ3 LYS 59 3HZ LYS 59 -8.387 18.686 15.935 1054 H SER 60 H SER 60 -13.530 15.943 10.747 1055 HA SER 60 HA SER 60 -14.120 18.647 11.341 1056 HG SER 60 HG SER 60 -13.101 16.923 8.857 1057 HB2 SER 60 2HB SER 60 -15.277 16.883 9.172 1058 HB3 SER 60 1HB SER 60 -15.317 18.647 9.211 1059 H THR 61 H THR 61 -16.083 15.712 11.312 1060 HA THR 61 HA THR 61 -18.553 16.990 11.814 1061 HB THR 61 HB THR 61 -17.789 14.136 12.484 1062 HG1 THR 61 1HG THR 61 -17.474 14.472 10.290 1063 HG21 THR 61 1HG2 THR 61 -19.861 14.848 13.561 1064 HG22 THR 61 2HG2 THR 61 -20.200 13.704 12.262 1065 HG23 THR 61 3HG2 THR 61 -20.481 15.427 12.016 1066 H ALA 62 H ALA 62 -16.192 15.445 13.996 1067 HA ALA 62 HA ALA 62 -17.671 15.664 16.359 1068 HB1 ALA 62 1HB ALA 62 -14.670 15.777 16.052 1069 HB2 ALA 62 2HB ALA 62 -15.640 14.307 16.135 1070 HB3 ALA 62 3HB ALA 62 -15.553 15.385 17.529 1071 H SER 63 H SER 63 -15.586 17.979 14.719 1072 HA SER 63 HA SER 63 -15.509 19.927 16.754 1073 HG SER 63 HG SER 63 -13.737 18.975 14.161 1074 HB2 SER 63 2HB SER 63 -15.353 20.362 13.761 1075 HB3 SER 63 1HB SER 63 -14.757 21.455 15.014 1076 H LEU 64 H LEU 64 -17.700 19.456 14.006 1077 HA LEU 64 HA LEU 64 -19.251 21.791 14.609 1078 HG LEU 64 HG LEU 64 -19.714 21.418 10.992 1079 HB2 LEU 64 2HB LEU 64 -19.396 19.591 12.610 1080 HB3 LEU 64 1HB LEU 64 -20.852 20.510 12.919 1081 HD11 LEU 64 1HD1 LEU 64 -20.872 23.001 12.433 1082 HD12 LEU 64 2HD1 LEU 64 -19.452 23.742 11.697 1083 HD13 LEU 64 3HD1 LEU 64 -19.404 23.230 13.383 1084 HD21 LEU 64 1HD2 LEU 64 -17.452 20.668 11.457 1085 HD22 LEU 64 2HD2 LEU 64 -17.337 21.789 12.813 1086 HD23 LEU 64 3HD2 LEU 64 -17.474 22.409 11.167 1087 H GLU 65 H GLU 65 -19.402 18.418 15.410 1088 HA GLU 65 HA GLU 65 -22.118 18.400 16.281 1089 HB2 GLU 65 2HB GLU 65 -20.722 16.397 15.588 1090 HB3 GLU 65 1HB GLU 65 -19.906 16.536 17.135 1091 HG2 GLU 65 2HG GLU 65 -22.196 16.328 18.199 1092 HG3 GLU 65 1HG GLU 65 -22.773 15.836 16.606 1093 H HIS 66 H HIS 66 -19.226 19.524 17.552 1094 HA HIS 66 HA HIS 66 -19.913 19.272 20.339 1095 HD1 HIS 66 1HD HIS 66 -17.123 22.642 20.677 1096 HD2 HIS 66 2HD HIS 66 -17.883 18.975 22.486 1097 HE1 HIS 66 1HE HIS 66 -16.533 22.946 23.106 1098 HE2 HIS 66 2HE HIS 66 -16.910 20.687 24.166 1099 HB2 HIS 66 2HB HIS 66 -17.557 19.220 19.568 1100 HB3 HIS 66 1HB HIS 66 -17.711 20.887 19.025 1101 H HIS 67 H HIS 67 -20.726 21.387 17.846 1102 HA HIS 67 HA HIS 67 -20.821 23.880 19.091 1103 HD1 HIS 67 1HD HIS 67 -24.753 24.194 17.170 1104 HD2 HIS 67 2HD HIS 67 -21.224 26.396 17.387 1105 HE1 HIS 67 1HE HIS 67 -25.451 26.610 17.104 1106 HE2 HIS 67 2HE HIS 67 -23.300 27.920 17.091 1107 HB2 HIS 67 2HB HIS 67 -21.183 23.569 16.681 1108 HB3 HIS 67 1HB HIS 67 -22.706 22.750 17.008 1109 H HIS 68 H HIS 68 -23.656 21.782 18.543 1110 HA HIS 68 HA HIS 68 -25.559 21.417 19.740 1111 HD1 HIS 68 1HD HIS 68 -22.206 20.176 22.682 1112 HD2 HIS 68 2HD HIS 68 -25.298 18.867 20.222 1113 HE1 HIS 68 1HE HIS 68 -21.754 17.737 22.263 1114 HE2 HIS 68 2HE HIS 68 -23.542 17.005 20.651 1115 HB2 HIS 68 2HB HIS 68 -23.730 22.006 22.077 1116 HB3 HIS 68 1HB HIS 68 -25.358 21.364 22.229 1117 H HIS 69 H HIS 69 -26.911 22.425 21.695 1118 HA HIS 69 HA HIS 69 -26.860 25.349 21.480 1119 HD1 HIS 69 1HD HIS 69 -31.022 23.300 21.232 1120 HD2 HIS 69 2HD HIS 69 -28.238 26.025 19.771 1121 HE1 HIS 69 1HE HIS 69 -31.862 23.983 18.960 1122 HE2 HIS 69 2HE HIS 69 -30.302 25.823 18.225 1123 HB2 HIS 69 2HB HIS 69 -28.886 23.415 22.615 1124 HB3 HIS 69 1HB HIS 69 -28.975 25.145 22.926 1125 H HIS 70 H HIS 70 -26.440 26.661 23.277 1126 HA HIS 70 HA HIS 70 -25.868 25.552 25.852 1127 HD1 HIS 70 1HD HIS 70 -22.356 27.541 26.400 1128 HD2 HIS 70 2HD HIS 70 -23.525 23.576 26.855 1129 HE1 HIS 70 1HE HIS 70 -21.282 26.757 28.532 1130 HE2 HIS 70 2HE HIS 70 -21.792 24.294 28.631 1131 HB2 HIS 70 2HB HIS 70 -23.890 24.847 24.364 1132 HB3 HIS 70 1HB HIS 70 -23.462 26.553 24.325 1133 H HIS 71 H HIS 71 -25.943 27.154 27.355 1134 HA HIS 71 HA HIS 71 -25.895 29.920 26.332 1135 HD1 HIS 71 1HD HIS 71 -29.601 31.129 27.731 1136 HD2 HIS 71 2HD HIS 71 -28.244 27.828 25.585 1137 HE1 HIS 71 1HE HIS 71 -31.336 30.700 25.965 1138 HE2 HIS 71 2HE HIS 71 -30.424 28.797 24.592 1139 HB2 HIS 71 2HB HIS 71 -27.460 28.701 28.614 1140 HB3 HIS 71 1HB HIS 71 -27.288 30.437 28.402 Start of MODEL 11 1 HA MET 1 HA MET 1 22.874 1.344 -13.535 2 H1 MET 1 1H MET 1 23.946 0.884 -11.443 3 H2 MET 1 2H MET 1 25.357 0.382 -12.236 4 H3 MET 1 3H MET 1 23.930 -0.510 -12.404 5 HB2 MET 1 2HB MET 1 24.224 3.131 -12.506 6 HB3 MET 1 1HB MET 1 25.644 2.558 -13.370 7 HG2 MET 1 2HG MET 1 24.529 3.069 -15.501 8 HG3 MET 1 1HG MET 1 23.148 3.702 -14.605 9 HE1 MET 1 1HE MET 1 23.207 5.921 -13.146 10 HE2 MET 1 2HE MET 1 24.688 6.820 -12.806 11 HE3 MET 1 3HE MET 1 24.481 5.186 -12.173 12 H SER 2 H SER 2 26.319 0.627 -14.115 13 HA SER 2 HA SER 2 25.678 -0.426 -16.752 14 HG SER 2 HG SER 2 29.219 -0.866 -17.204 15 HB2 SER 2 2HB SER 2 27.757 0.908 -16.397 16 HB3 SER 2 1HB SER 2 28.337 -0.331 -15.287 17 H GLU 3 H GLU 3 26.313 -2.672 -17.281 18 HA GLU 3 HA GLU 3 25.631 -4.359 -14.986 19 HB2 GLU 3 2HB GLU 3 25.427 -5.024 -17.914 20 HB3 GLU 3 1HB GLU 3 24.803 -5.982 -16.581 21 HG2 GLU 3 2HG GLU 3 23.293 -4.131 -15.986 22 HG3 GLU 3 1HG GLU 3 23.880 -3.229 -17.379 23 H GLY 4 H GLY 4 27.331 -5.063 -14.038 24 HA2 GLY 4 2HA GLY 4 29.316 -6.588 -15.554 25 HA3 GLY 4 1HA GLY 4 29.887 -5.296 -14.502 26 H ALA 5 H ALA 5 30.858 -7.691 -13.906 27 HA ALA 5 HA ALA 5 29.247 -9.490 -12.498 28 HB1 ALA 5 1HB ALA 5 31.302 -10.480 -11.696 29 HB2 ALA 5 2HB ALA 5 32.201 -9.031 -12.151 30 HB3 ALA 5 3HB ALA 5 31.461 -10.037 -13.396 31 H GLU 6 H GLU 6 31.349 -6.923 -11.194 32 HA GLU 6 HA GLU 6 30.815 -7.578 -8.484 33 HB2 GLU 6 2HB GLU 6 31.642 -4.850 -9.470 34 HB3 GLU 6 1HB GLU 6 31.974 -5.580 -7.909 35 HG2 GLU 6 2HG GLU 6 33.181 -6.295 -10.561 36 HG3 GLU 6 1HG GLU 6 33.982 -5.578 -9.167 37 H GLU 7 H GLU 7 29.557 -5.095 -10.647 38 HA GLU 7 HA GLU 7 27.805 -3.835 -8.863 39 HB2 GLU 7 2HB GLU 7 28.553 -3.102 -11.205 40 HB3 GLU 7 1HB GLU 7 27.299 -4.164 -11.817 41 HG2 GLU 7 2HG GLU 7 26.457 -1.936 -11.768 42 HG3 GLU 7 1HG GLU 7 25.631 -2.875 -10.527 43 H LEU 8 H LEU 8 27.395 -6.602 -11.006 44 HA LEU 8 HA LEU 8 24.661 -7.067 -10.725 45 HG LEU 8 HG LEU 8 24.218 -8.681 -12.571 46 HB2 LEU 8 2HB LEU 8 26.597 -8.192 -12.156 47 HB3 LEU 8 1HB LEU 8 26.592 -9.344 -10.839 48 HD11 LEU 8 1HD1 LEU 8 25.996 -9.831 -13.798 49 HD12 LEU 8 2HD1 LEU 8 24.586 -10.866 -13.578 50 HD13 LEU 8 3HD1 LEU 8 26.018 -11.100 -12.573 51 HD21 LEU 8 1HD2 LEU 8 23.195 -10.659 -11.552 52 HD22 LEU 8 2HD2 LEU 8 23.555 -9.425 -10.344 53 HD23 LEU 8 3HD2 LEU 8 24.597 -10.839 -10.496 54 H LYS 9 H LYS 9 27.388 -8.402 -8.878 55 HA LYS 9 HA LYS 9 25.814 -10.022 -7.184 56 HB2 LYS 9 2HB LYS 9 28.313 -10.200 -7.666 57 HB3 LYS 9 1HB LYS 9 28.530 -8.900 -6.509 58 HG2 LYS 9 2HG LYS 9 28.925 -11.100 -5.515 59 HG3 LYS 9 1HG LYS 9 27.585 -10.252 -4.741 60 HD2 LYS 9 2HD LYS 9 25.980 -11.583 -5.956 61 HD3 LYS 9 1HD LYS 9 27.266 -12.347 -6.894 62 HE2 LYS 9 2HE LYS 9 28.137 -13.402 -4.902 63 HE3 LYS 9 1HE LYS 9 26.956 -12.559 -3.901 64 HZ1 LYS 9 1HZ LYS 9 25.195 -13.782 -4.886 65 HZ2 LYS 9 2HZ LYS 9 26.386 -14.901 -4.438 66 HZ3 LYS 9 3HZ LYS 9 26.214 -14.452 -6.064 67 H ALA 10 H ALA 10 27.228 -6.811 -6.715 68 HA ALA 10 HA ALA 10 26.324 -6.480 -4.066 69 HB1 ALA 10 1HB ALA 10 26.800 -4.116 -4.378 70 HB2 ALA 10 2HB ALA 10 26.900 -4.350 -6.123 71 HB3 ALA 10 3HB ALA 10 28.090 -5.103 -5.062 72 H LYS 11 H LYS 11 24.865 -5.686 -7.185 73 HA LYS 11 HA LYS 11 22.658 -4.278 -6.085 74 HB2 LYS 11 2HB LYS 11 23.514 -4.122 -8.462 75 HB3 LYS 11 1HB LYS 11 22.752 -5.675 -8.760 76 HG2 LYS 11 2HG LYS 11 21.177 -4.197 -9.547 77 HG3 LYS 11 1HG LYS 11 20.600 -4.514 -7.913 78 HD2 LYS 11 2HD LYS 11 22.325 -2.152 -8.645 79 HD3 LYS 11 1HD LYS 11 20.564 -2.100 -8.631 80 HE2 LYS 11 2HE LYS 11 20.600 -2.741 -6.248 81 HE3 LYS 11 1HE LYS 11 22.356 -2.698 -6.281 82 HZ1 LYS 11 1HZ LYS 11 20.506 -0.419 -6.701 83 HZ2 LYS 11 2HZ LYS 11 22.181 -0.329 -6.938 84 HZ3 LYS 11 3HZ LYS 11 21.560 -0.654 -5.394 85 H LEU 12 H LEU 12 23.059 -7.583 -7.311 86 HA LEU 12 HA LEU 12 20.458 -8.493 -6.835 87 HG LEU 12 HG LEU 12 21.269 -11.311 -5.598 88 HB2 LEU 12 2HB LEU 12 22.058 -9.807 -8.106 89 HB3 LEU 12 1HB LEU 12 23.077 -9.992 -6.691 90 HD11 LEU 12 1HD1 LEU 12 19.358 -10.388 -6.786 91 HD12 LEU 12 2HD1 LEU 12 19.422 -12.140 -6.970 92 HD13 LEU 12 3HD1 LEU 12 19.936 -11.098 -8.295 93 HD21 LEU 12 1HD2 LEU 12 21.589 -13.323 -6.939 94 HD22 LEU 12 2HD2 LEU 12 23.095 -12.415 -6.789 95 HD23 LEU 12 3HD2 LEU 12 22.168 -12.342 -8.287 96 H LYS 13 H LYS 13 23.311 -8.488 -4.730 97 HA LYS 13 HA LYS 13 22.155 -9.779 -2.524 98 HB2 LYS 13 2HB LYS 13 24.598 -9.234 -2.827 99 HB3 LYS 13 1HB LYS 13 24.215 -7.575 -2.396 100 HG2 LYS 13 2HG LYS 13 23.307 -8.422 -0.235 101 HG3 LYS 13 1HG LYS 13 23.939 -10.011 -0.661 102 HD2 LYS 13 2HD LYS 13 26.195 -9.037 -0.830 103 HD3 LYS 13 1HD LYS 13 25.535 -7.479 -0.329 104 HE2 LYS 13 2HE LYS 13 24.752 -8.535 1.770 105 HE3 LYS 13 1HE LYS 13 25.548 -10.029 1.276 106 HZ1 LYS 13 1HZ LYS 13 27.643 -8.665 1.143 107 HZ2 LYS 13 2HZ LYS 13 27.032 -8.933 2.700 108 HZ3 LYS 13 3HZ LYS 13 26.798 -7.431 1.953 109 H LYS 14 H LYS 14 22.431 -6.328 -3.274 110 HA LYS 14 HA LYS 14 21.211 -5.399 -0.915 111 HB2 LYS 14 2HB LYS 14 22.626 -4.111 -2.635 112 HB3 LYS 14 1HB LYS 14 21.126 -3.925 -3.535 113 HG2 LYS 14 2HG LYS 14 21.518 -1.962 -2.196 114 HG3 LYS 14 1HG LYS 14 20.113 -2.830 -1.570 115 HD2 LYS 14 2HD LYS 14 21.599 -3.895 0.121 116 HD3 LYS 14 1HD LYS 14 22.917 -2.874 -0.453 117 HE2 LYS 14 2HE LYS 14 21.633 -0.883 0.147 118 HE3 LYS 14 1HE LYS 14 20.314 -1.902 0.719 119 HZ1 LYS 14 1HZ LYS 14 23.044 -1.685 1.856 120 HZ2 LYS 14 2HZ LYS 14 21.946 -2.892 2.308 121 HZ3 LYS 14 3HZ LYS 14 21.580 -1.264 2.598 122 H LEU 15 H LEU 15 19.871 -5.964 -4.165 123 HA LEU 15 HA LEU 15 17.258 -5.077 -3.532 124 HG LEU 15 HG LEU 15 17.274 -4.982 -7.178 125 HB2 LEU 15 2HB LEU 15 18.522 -6.550 -5.765 126 HB3 LEU 15 1HB LEU 15 16.790 -6.742 -5.586 127 HD11 LEU 15 1HD1 LEU 15 15.293 -4.736 -5.794 128 HD12 LEU 15 2HD1 LEU 15 16.002 -3.164 -6.173 129 HD13 LEU 15 3HD1 LEU 15 16.239 -3.876 -4.577 130 HD21 LEU 15 1HD2 LEU 15 18.753 -3.641 -4.923 131 HD22 LEU 15 2HD2 LEU 15 18.410 -2.929 -6.499 132 HD23 LEU 15 3HD2 LEU 15 19.473 -4.330 -6.378 133 H ASN 16 H ASN 16 18.763 -8.274 -3.508 134 HA ASN 16 HA ASN 16 16.461 -9.791 -2.995 135 HB2 ASN 16 2HB ASN 16 18.667 -10.724 -3.650 136 HB3 ASN 16 1HB ASN 16 19.286 -10.336 -2.051 137 HD21 ASN 16 1HD2 ASN 16 19.777 -12.505 -1.698 138 HD22 ASN 16 2HD2 ASN 16 18.554 -13.668 -1.336 139 H ALA 17 H ALA 17 18.774 -8.272 -0.779 140 HA ALA 17 HA ALA 17 17.446 -9.107 1.597 141 HB1 ALA 17 1HB ALA 17 18.901 -7.527 2.742 142 HB2 ALA 17 2HB ALA 17 19.362 -6.812 1.196 143 HB3 ALA 17 3HB ALA 17 19.813 -8.477 1.568 144 H GLN 18 H GLN 18 17.318 -6.227 -0.415 145 HA GLN 18 HA GLN 18 15.779 -4.564 1.224 146 HB2 GLN 18 2HB GLN 18 16.967 -3.908 -0.893 147 HB3 GLN 18 1HB GLN 18 15.689 -4.708 -1.794 148 HG2 GLN 18 2HG GLN 18 14.056 -3.153 -0.796 149 HG3 GLN 18 1HG GLN 18 15.383 -2.325 0.012 150 HE21 GLN 18 1HE2 GLN 18 16.855 -1.109 -1.235 151 HE22 GLN 18 2HE2 GLN 18 16.482 -0.614 -2.849 152 H ALA 19 H ALA 19 14.741 -6.765 -1.377 153 HA ALA 19 HA ALA 19 11.980 -6.330 -1.092 154 HB1 ALA 19 1HB ALA 19 11.686 -8.382 -2.366 155 HB2 ALA 19 2HB ALA 19 13.374 -8.813 -2.088 156 HB3 ALA 19 3HB ALA 19 12.974 -7.398 -3.063 157 H THR 20 H THR 20 14.120 -8.714 0.408 158 HA THR 20 HA THR 20 12.126 -10.204 1.726 159 HB THR 20 HB THR 20 14.989 -9.807 2.631 160 HG1 THR 20 1HG THR 20 15.056 -10.553 0.521 161 HG21 THR 20 1HG2 THR 20 13.513 -10.902 4.278 162 HG22 THR 20 2HG2 THR 20 14.739 -12.004 3.653 163 HG23 THR 20 3HG2 THR 20 13.077 -12.109 3.069 164 H ALA 21 H ALA 21 14.042 -7.397 2.726 165 HA ALA 21 HA ALA 21 13.157 -7.256 5.386 166 HB1 ALA 21 1HB ALA 21 15.106 -6.030 4.543 167 HB2 ALA 21 2HB ALA 21 13.962 -4.959 5.349 168 HB3 ALA 21 3HB ALA 21 14.040 -4.999 3.589 169 H LEU 22 H LEU 22 11.923 -5.702 2.441 170 HA LEU 22 HA LEU 22 9.831 -4.293 3.725 171 HG LEU 22 HG LEU 22 10.143 -2.575 0.515 172 HB2 LEU 22 2HB LEU 22 10.521 -4.971 0.914 173 HB3 LEU 22 1HB LEU 22 8.868 -4.490 1.242 174 HD11 LEU 22 1HD1 LEU 22 8.410 -2.196 2.188 175 HD12 LEU 22 2HD1 LEU 22 9.746 -1.062 2.381 176 HD13 LEU 22 3HD1 LEU 22 9.592 -2.437 3.476 177 HD21 LEU 22 1HD2 LEU 22 12.044 -1.723 1.793 178 HD22 LEU 22 2HD2 LEU 22 12.375 -3.327 1.140 179 HD23 LEU 22 3HD2 LEU 22 11.971 -3.135 2.846 180 H LYS 23 H LYS 23 10.020 -7.487 2.250 181 HA LYS 23 HA LYS 23 7.313 -8.155 2.272 182 HB2 LYS 23 2HB LYS 23 9.014 -9.504 1.151 183 HB3 LYS 23 1HB LYS 23 9.729 -9.932 2.694 184 HG2 LYS 23 2HG LYS 23 6.877 -10.619 2.249 185 HG3 LYS 23 1HG LYS 23 8.103 -11.554 1.392 186 HD2 LYS 23 2HD LYS 23 9.200 -12.048 3.536 187 HD3 LYS 23 1HD LYS 23 7.949 -11.133 4.377 188 HE2 LYS 23 2HE LYS 23 7.501 -13.523 4.484 189 HE3 LYS 23 1HE LYS 23 6.255 -12.687 3.562 190 HZ1 LYS 23 1HZ LYS 23 8.549 -14.109 2.323 191 HZ2 LYS 23 2HZ LYS 23 7.197 -13.464 1.530 192 HZ3 LYS 23 3HZ LYS 23 7.021 -14.803 2.559 193 H MET 24 H MET 24 9.713 -8.314 4.854 194 HA MET 24 HA MET 24 7.943 -9.565 6.735 195 HB2 MET 24 2HB MET 24 10.534 -8.061 7.170 196 HB3 MET 24 1HB MET 24 9.689 -8.988 8.402 197 HG2 MET 24 2HG MET 24 10.008 -11.019 7.062 198 HG3 MET 24 1HG MET 24 10.896 -10.073 5.867 199 HE1 MET 24 1HE MET 24 12.886 -11.839 6.090 200 HE2 MET 24 2HE MET 24 12.014 -12.725 7.342 201 HE3 MET 24 3HE MET 24 13.684 -12.224 7.614 202 H ASP 25 H ASP 25 9.096 -6.273 6.157 203 HA ASP 25 HA ASP 25 7.889 -5.064 8.393 204 HB2 ASP 25 2HB ASP 25 9.724 -4.060 7.065 205 HB3 ASP 25 1HB ASP 25 8.598 -3.801 5.737 206 H LEU 26 H LEU 26 6.809 -5.314 5.016 207 HA LEU 26 HA LEU 26 4.436 -3.849 5.282 208 HG LEU 26 HG LEU 26 2.662 -5.680 3.401 209 HB2 LEU 26 2HB LEU 26 5.393 -4.415 3.119 210 HB3 LEU 26 1HB LEU 26 5.111 -6.120 3.411 211 HD11 LEU 26 1HD1 LEU 26 2.709 -3.333 4.063 212 HD12 LEU 26 2HD1 LEU 26 1.839 -3.550 2.545 213 HD13 LEU 26 3HD1 LEU 26 3.483 -2.910 2.535 214 HD21 LEU 26 1HD2 LEU 26 2.478 -5.366 0.986 215 HD22 LEU 26 2HD2 LEU 26 3.811 -6.450 1.388 216 HD23 LEU 26 3HD2 LEU 26 4.140 -4.779 0.932 217 H HIS 27 H HIS 27 5.092 -7.302 5.735 218 HA HIS 27 HA HIS 27 2.419 -8.127 6.040 219 HD1 HIS 27 1HD HIS 27 4.354 -11.650 8.338 220 HD2 HIS 27 2HD HIS 27 1.244 -10.250 5.959 221 HE1 HIS 27 1HE HIS 27 2.532 -13.376 8.514 222 HE2 HIS 27 2HE HIS 27 0.792 -12.644 6.831 223 HB2 HIS 27 2HB HIS 27 4.423 -9.615 5.676 224 HB3 HIS 27 1HB HIS 27 4.826 -9.384 7.373 225 H ASP 28 H ASP 28 4.768 -6.864 8.304 226 HA ASP 28 HA ASP 28 3.174 -7.351 10.631 227 HB2 ASP 28 2HB ASP 28 5.607 -7.227 10.787 228 HB3 ASP 28 1HB ASP 28 5.579 -5.563 10.212 229 H LEU 29 H LEU 29 3.730 -4.581 8.494 230 HA LEU 29 HA LEU 29 2.238 -2.731 10.060 231 HG LEU 29 HG LEU 29 1.065 -1.037 7.801 232 HB2 LEU 29 2HB LEU 29 3.865 -2.038 8.335 233 HB3 LEU 29 1HB LEU 29 2.807 -2.682 7.092 234 HD11 LEU 29 1HD1 LEU 29 3.304 0.074 9.486 235 HD12 LEU 29 2HD1 LEU 29 1.809 -0.651 10.079 236 HD13 LEU 29 3HD1 LEU 29 1.758 0.865 9.180 237 HD21 LEU 29 1HD2 LEU 29 2.135 0.887 6.746 238 HD22 LEU 29 2HD2 LEU 29 2.513 -0.605 5.887 239 HD23 LEU 29 3HD2 LEU 29 3.714 0.129 6.951 240 H ALA 30 H ALA 30 1.425 -4.871 7.378 241 HA ALA 30 HA ALA 30 -1.249 -4.067 7.029 242 HB1 ALA 30 1HB ALA 30 -0.033 -6.788 6.557 243 HB2 ALA 30 2HB ALA 30 -0.045 -5.448 5.409 244 HB3 ALA 30 3HB ALA 30 -1.562 -6.204 5.897 245 H GLU 31 H GLU 31 0.296 -6.038 9.407 246 HA GLU 31 HA GLU 31 -2.082 -7.266 10.431 247 HB2 GLU 31 2HB GLU 31 0.208 -8.201 10.744 248 HB3 GLU 31 1HB GLU 31 0.590 -6.835 11.781 249 HG2 GLU 31 2HG GLU 31 -1.596 -7.702 13.031 250 HG3 GLU 31 1HG GLU 31 -1.061 -9.221 12.306 251 H ASP 32 H ASP 32 -0.171 -4.405 11.155 252 HA ASP 32 HA ASP 32 -1.796 -3.770 13.492 253 HB2 ASP 32 2HB ASP 32 0.763 -3.569 13.375 254 HB3 ASP 32 1HB ASP 32 0.486 -2.140 12.384 255 H LEU 33 H LEU 33 -2.952 -3.721 10.876 256 HA LEU 33 HA LEU 33 -3.313 -1.234 9.760 257 HG LEU 33 HG LEU 33 -3.189 -3.315 7.998 258 HB2 LEU 33 2HB LEU 33 -4.813 -3.759 9.761 259 HB3 LEU 33 1HB LEU 33 -5.727 -2.331 9.305 260 HD11 LEU 33 1HD1 LEU 33 -4.622 -3.649 6.042 261 HD12 LEU 33 2HD1 LEU 33 -6.029 -3.171 6.993 262 HD13 LEU 33 3HD1 LEU 33 -5.139 -4.637 7.407 263 HD21 LEU 33 1HD2 LEU 33 -4.877 -0.895 7.353 264 HD22 LEU 33 2HD2 LEU 33 -3.505 -1.475 6.413 265 HD23 LEU 33 3HD2 LEU 33 -3.257 -0.862 8.049 266 HA PRO 34 HA PRO 34 -6.084 1.859 10.471 267 HB2 PRO 34 2HB PRO 34 -7.353 0.229 12.655 268 HB3 PRO 34 1HB PRO 34 -7.975 1.698 11.873 269 HG2 PRO 34 2HG PRO 34 -8.403 -0.911 10.928 270 HG3 PRO 34 1HG PRO 34 -8.577 0.565 9.962 271 HD2 PRO 34 2HD PRO 34 -6.694 -1.462 9.467 272 HD3 PRO 34 1HD PRO 34 -6.558 0.214 8.871 273 H THR 35 H THR 35 -3.592 0.473 11.895 274 HA THR 35 HA THR 35 -3.095 3.042 13.234 275 HB THR 35 HB THR 35 -1.437 0.681 13.971 276 HG1 THR 35 1HG THR 35 -3.834 0.197 14.149 277 HG21 THR 35 1HG2 THR 35 -2.482 3.060 15.502 278 HG22 THR 35 2HG2 THR 35 -0.873 2.897 14.799 279 HG23 THR 35 3HG2 THR 35 -1.363 1.849 16.129 280 H GLY 36 H GLY 36 -1.063 3.945 12.744 281 HA2 GLY 36 2HA GLY 36 0.692 4.490 11.363 282 HA3 GLY 36 1HA GLY 36 0.984 2.764 11.261 283 H TRP 37 H TRP 37 -2.095 3.657 10.153 284 HA TRP 37 HA TRP 37 -1.839 2.713 7.597 285 HD1 TRP 37 HD TRP 37 -4.300 6.325 6.787 286 HE1 TRP 37 1HE TRP 37 -4.936 8.250 8.372 287 HE3 TRP 37 3HE TRP 37 -3.638 3.948 11.268 288 HZ2 TRP 37 2HZ TRP 37 -5.127 8.704 11.149 289 HZ3 TRP 37 3HZ TRP 37 -4.069 5.204 13.340 290 HH2 TRP 37 HH TRP 37 -4.798 7.530 13.280 291 HB2 TRP 37 2HB TRP 37 -3.971 3.752 7.123 292 HB3 TRP 37 1HB TRP 37 -3.986 3.121 8.763 293 H ASN 38 H ASN 38 -0.926 5.851 8.775 294 HA ASN 38 HA ASN 38 -0.997 7.291 6.376 295 HB2 ASN 38 2HB ASN 38 0.349 8.892 7.514 296 HB3 ASN 38 1HB ASN 38 -0.746 8.218 8.704 297 HD21 ASN 38 1HD2 ASN 38 2.534 8.557 7.693 298 HD22 ASN 38 2HD2 ASN 38 3.267 7.819 9.081 299 H ARG 39 H ARG 39 1.087 4.787 7.472 300 HA ARG 39 HA ARG 39 3.213 5.659 5.633 301 HE ARG 39 HE ARG 39 7.784 4.327 6.709 302 HB2 ARG 39 2HB ARG 39 3.638 5.102 8.122 303 HB3 ARG 39 1HB ARG 39 3.494 3.424 7.613 304 HG2 ARG 39 2HG ARG 39 5.323 3.715 6.052 305 HG3 ARG 39 1HG ARG 39 5.443 5.421 6.483 306 HD2 ARG 39 2HD ARG 39 5.834 4.630 8.867 307 HD3 ARG 39 1HD ARG 39 6.054 3.020 8.179 308 HH11 ARG 39 1HH1 ARG 39 7.165 4.667 10.147 309 HH12 ARG 39 2HH1 ARG 39 8.770 5.243 10.505 310 HH21 ARG 39 1HH2 ARG 39 9.860 5.118 7.164 311 HH22 ARG 39 2HH2 ARG 39 10.298 5.533 8.794 312 H ILE 40 H ILE 40 0.566 3.804 5.449 313 HA ILE 40 HA ILE 40 1.409 1.331 4.442 314 HB ILE 40 HB ILE 40 -1.052 2.945 3.748 315 HG12 ILE 40 2HG1 ILE 40 -0.660 0.569 5.578 316 HG13 ILE 40 1HG1 ILE 40 -0.863 2.232 6.108 317 HG21 ILE 40 1HG2 ILE 40 -0.585 1.390 1.947 318 HG22 ILE 40 2HG2 ILE 40 -1.988 0.849 2.869 319 HG23 ILE 40 3HG2 ILE 40 -0.423 0.068 3.100 320 HD11 ILE 40 1HD1 ILE 40 -3.105 2.272 5.145 321 HD12 ILE 40 2HD1 ILE 40 -2.923 0.983 6.339 322 HD13 ILE 40 3HD1 ILE 40 -2.900 0.600 4.620 323 H MET 41 H MET 41 0.802 4.401 2.783 324 HA MET 41 HA MET 41 1.233 3.564 0.163 325 HB2 MET 41 2HB MET 41 0.301 5.774 0.840 326 HB3 MET 41 1HB MET 41 1.911 6.264 1.344 327 HG2 MET 41 2HG MET 41 1.918 7.183 -0.711 328 HG3 MET 41 1HG MET 41 2.477 5.573 -1.155 329 HE1 MET 41 1HE MET 41 -0.105 3.763 -1.023 330 HE2 MET 41 2HE MET 41 0.964 3.761 -2.427 331 HE3 MET 41 3HE MET 41 -0.776 3.951 -2.645 332 H GLU 42 H GLU 42 3.530 4.893 2.508 333 HA GLU 42 HA GLU 42 5.802 4.960 0.890 334 HB2 GLU 42 2HB GLU 42 5.556 5.998 3.158 335 HB3 GLU 42 1HB GLU 42 5.695 4.398 3.860 336 HG2 GLU 42 2HG GLU 42 7.934 4.227 2.709 337 HG3 GLU 42 1HG GLU 42 7.783 5.949 2.369 338 H VAL 43 H VAL 43 4.826 2.476 3.246 339 HA VAL 43 HA VAL 43 6.945 0.717 2.689 340 HB VAL 43 HB VAL 43 4.208 0.026 3.768 341 HG11 VAL 43 1HG1 VAL 43 5.350 -1.904 4.791 342 HG12 VAL 43 2HG1 VAL 43 6.834 -1.460 3.947 343 HG13 VAL 43 3HG1 VAL 43 5.414 -1.961 3.030 344 HG21 VAL 43 1HG2 VAL 43 5.295 1.768 5.086 345 HG22 VAL 43 2HG2 VAL 43 6.754 0.783 5.206 346 HG23 VAL 43 3HG2 VAL 43 5.262 0.244 5.975 347 H ALA 44 H ALA 44 3.656 0.879 1.354 348 HA ALA 44 HA ALA 44 3.797 -1.422 -0.254 349 HB1 ALA 44 1HB ALA 44 1.960 -0.437 -1.529 350 HB2 ALA 44 2HB ALA 44 2.245 1.118 -0.748 351 HB3 ALA 44 3HB ALA 44 1.699 -0.260 0.205 352 H GLU 45 H GLU 45 4.631 1.959 -0.936 353 HA GLU 45 HA GLU 45 5.403 1.674 -3.599 354 HB2 GLU 45 2HB GLU 45 6.049 3.573 -1.402 355 HB3 GLU 45 1HB GLU 45 7.054 3.606 -2.832 356 HG2 GLU 45 2HG GLU 45 4.959 3.888 -4.180 357 HG3 GLU 45 1HG GLU 45 4.104 4.104 -2.650 358 H LYS 46 H LYS 46 7.336 1.438 -0.636 359 HA LYS 46 HA LYS 46 9.792 0.998 -1.920 360 HB2 LYS 46 2HB LYS 46 8.877 0.299 0.858 361 HB3 LYS 46 1HB LYS 46 10.547 0.174 0.304 362 HG2 LYS 46 2HG LYS 46 10.544 2.565 -0.218 363 HG3 LYS 46 1HG LYS 46 8.882 2.680 0.359 364 HD2 LYS 46 2HD LYS 46 11.254 1.841 2.014 365 HD3 LYS 46 1HD LYS 46 10.511 3.437 2.010 366 HE2 LYS 46 2HE LYS 46 8.365 2.357 2.703 367 HE3 LYS 46 1HE LYS 46 9.248 0.841 2.866 368 HZ1 LYS 46 1HZ LYS 46 9.345 1.611 4.990 369 HZ2 LYS 46 2HZ LYS 46 9.351 3.246 4.542 370 HZ3 LYS 46 3HZ LYS 46 10.766 2.318 4.388 371 H THR 47 H THR 47 7.323 -1.245 -0.754 372 HA THR 47 HA THR 47 8.784 -3.618 -1.272 373 HB THR 47 HB THR 47 5.781 -3.278 -1.268 374 HG1 THR 47 1HG THR 47 6.484 -2.528 0.688 375 HG21 THR 47 1HG2 THR 47 6.554 -5.435 -2.146 376 HG22 THR 47 2HG2 THR 47 5.758 -5.626 -0.583 377 HG23 THR 47 3HG2 THR 47 7.518 -5.680 -0.689 378 H TYR 48 H TYR 48 6.389 -1.799 -3.150 379 HA TYR 48 HA TYR 48 6.325 -3.444 -5.418 380 HD1 TYR 48 2HD TYR 48 4.106 -2.996 -7.180 381 HD2 TYR 48 1HD TYR 48 6.587 0.455 -7.196 382 HE1 TYR 48 2HE TYR 48 3.731 -2.744 -9.598 383 HE2 TYR 48 1HE TYR 48 6.225 0.716 -9.613 384 HH TYR 48 HH TYR 48 3.790 -0.809 -11.276 385 HB2 TYR 48 2HB TYR 48 4.656 -1.723 -5.080 386 HB3 TYR 48 1HB TYR 48 5.882 -0.464 -5.140 387 H GLU 49 H GLU 49 8.335 -0.631 -4.655 388 HA GLU 49 HA GLU 49 9.743 -0.473 -7.083 389 HB2 GLU 49 2HB GLU 49 9.635 1.253 -5.263 390 HB3 GLU 49 1HB GLU 49 10.707 0.256 -4.303 391 HG2 GLU 49 2HG GLU 49 11.909 2.073 -5.354 392 HG3 GLU 49 1HG GLU 49 12.466 0.512 -5.948 393 H ALA 50 H ALA 50 10.404 -2.270 -4.113 394 HA ALA 50 HA ALA 50 12.888 -3.336 -4.879 395 HB1 ALA 50 1HB ALA 50 12.499 -5.034 -3.178 396 HB2 ALA 50 2HB ALA 50 10.791 -4.597 -3.118 397 HB3 ALA 50 3HB ALA 50 12.014 -3.443 -2.587 398 H TYR 51 H TYR 51 9.627 -4.773 -5.147 399 HA TYR 51 HA TYR 51 10.471 -7.089 -6.505 400 HD1 TYR 51 1HD TYR 51 8.352 -6.381 -3.663 401 HD2 TYR 51 2HD TYR 51 8.173 -9.302 -6.748 402 HE1 TYR 51 1HE TYR 51 8.160 -8.153 -1.966 403 HE2 TYR 51 2HE TYR 51 7.987 -11.083 -5.064 404 HH TYR 51 HH TYR 51 8.543 -11.455 -2.708 405 HB2 TYR 51 2HB TYR 51 7.852 -5.770 -6.018 406 HB3 TYR 51 1HB TYR 51 7.929 -6.995 -7.280 407 H ARG 52 H ARG 52 9.322 -3.963 -7.735 408 HA ARG 52 HA ARG 52 9.192 -4.765 -10.441 409 HE ARG 52 HE ARG 52 10.404 -0.846 -11.622 410 HB2 ARG 52 2HB ARG 52 9.184 -2.388 -11.003 411 HB3 ARG 52 1HB ARG 52 8.107 -2.699 -9.659 412 HG2 ARG 52 2HG ARG 52 9.473 -1.604 -8.162 413 HG3 ARG 52 1HG ARG 52 10.905 -1.789 -9.177 414 HD2 ARG 52 2HD ARG 52 8.536 -0.089 -9.920 415 HD3 ARG 52 1HD ARG 52 9.955 0.528 -9.075 416 HH11 ARG 52 1HH1 ARG 52 10.232 2.144 -9.816 417 HH12 ARG 52 2HH1 ARG 52 10.989 3.097 -11.055 418 HH21 ARG 52 1HH2 ARG 52 11.483 0.355 -13.225 419 HH22 ARG 52 2HH2 ARG 52 11.707 2.068 -13.007 420 H GLN 53 H GLN 53 11.798 -3.372 -8.493 421 HA GLN 53 HA GLN 53 13.587 -3.088 -10.698 422 HB2 GLN 53 2HB GLN 53 13.704 -1.794 -8.525 423 HB3 GLN 53 1HB GLN 53 14.329 -3.256 -7.772 424 HG2 GLN 53 2HG GLN 53 16.123 -1.719 -8.368 425 HG3 GLN 53 1HG GLN 53 16.246 -3.229 -9.272 426 HE21 GLN 53 1HE2 GLN 53 15.800 -3.229 -11.485 427 HE22 GLN 53 2HE2 GLN 53 15.727 -1.767 -12.413 428 H LEU 54 H LEU 54 12.976 -5.589 -8.295 429 HA LEU 54 HA LEU 54 15.123 -7.285 -8.752 430 HG LEU 54 HG LEU 54 14.981 -9.080 -7.136 431 HB2 LEU 54 2HB LEU 54 12.450 -7.525 -7.665 432 HB3 LEU 54 1HB LEU 54 12.901 -8.971 -8.544 433 HD11 LEU 54 1HD1 LEU 54 15.095 -6.773 -6.419 434 HD12 LEU 54 2HD1 LEU 54 14.968 -7.839 -5.020 435 HD13 LEU 54 3HD1 LEU 54 13.557 -6.936 -5.571 436 HD21 LEU 54 1HD2 LEU 54 13.064 -10.491 -6.677 437 HD22 LEU 54 2HD2 LEU 54 12.326 -9.209 -5.718 438 HD23 LEU 54 3HD2 LEU 54 13.820 -9.970 -5.172 439 H ASP 55 H ASP 55 12.005 -7.221 -10.450 440 HA ASP 55 HA ASP 55 12.728 -9.240 -12.324 441 HB2 ASP 55 2HB ASP 55 10.382 -8.738 -11.763 442 HB3 ASP 55 1HB ASP 55 10.545 -7.141 -12.484 443 H GLU 56 H GLU 56 12.646 -5.701 -12.462 444 HA GLU 56 HA GLU 56 13.347 -5.451 -15.166 445 HB2 GLU 56 2HB GLU 56 13.535 -3.601 -12.810 446 HB3 GLU 56 1HB GLU 56 14.190 -3.122 -14.368 447 HG2 GLU 56 2HG GLU 56 12.051 -3.281 -15.403 448 HG3 GLU 56 1HG GLU 56 11.354 -4.030 -13.970 449 H PHE 57 H PHE 57 15.375 -5.712 -12.290 450 HA PHE 57 HA PHE 57 17.807 -5.271 -13.702 451 HD1 PHE 57 2HD PHE 57 19.876 -4.360 -12.417 452 HD2 PHE 57 1HD PHE 57 19.096 -8.184 -10.720 453 HE1 PHE 57 2HE PHE 57 22.295 -4.782 -12.265 454 HE2 PHE 57 1HE PHE 57 21.514 -8.611 -10.558 455 HZ PHE 57 HZ PHE 57 23.116 -6.909 -11.332 456 HB2 PHE 57 2HB PHE 57 17.656 -5.003 -11.258 457 HB3 PHE 57 1HB PHE 57 17.334 -6.726 -11.087 458 H ARG 58 H ARG 58 15.939 -8.135 -12.816 459 HA ARG 58 HA ARG 58 17.819 -10.028 -13.695 460 HE ARG 58 HE ARG 58 15.935 -13.316 -13.274 461 HB2 ARG 58 2HB ARG 58 14.887 -10.094 -13.117 462 HB3 ARG 58 1HB ARG 58 15.644 -11.473 -13.883 463 HG2 ARG 58 2HG ARG 58 17.323 -11.370 -11.935 464 HG3 ARG 58 1HG ARG 58 16.119 -10.342 -11.160 465 HD2 ARG 58 2HD ARG 58 15.786 -12.616 -10.439 466 HD3 ARG 58 1HD ARG 58 14.440 -12.140 -11.475 467 HH11 ARG 58 1HH1 ARG 58 15.342 -14.351 -9.986 468 HH12 ARG 58 2HH1 ARG 58 15.596 -16.038 -10.328 469 HH21 ARG 58 1HH2 ARG 58 16.270 -15.540 -13.754 470 HH22 ARG 58 2HH2 ARG 58 16.126 -16.715 -12.479 471 H LYS 59 H LYS 59 15.058 -8.498 -15.361 472 HA LYS 59 HA LYS 59 15.247 -10.198 -17.631 473 HB2 LYS 59 2HB LYS 59 13.617 -8.774 -18.657 474 HB3 LYS 59 1HB LYS 59 13.198 -8.949 -16.961 475 HG2 LYS 59 2HG LYS 59 14.656 -6.701 -16.830 476 HG3 LYS 59 1HG LYS 59 14.036 -6.565 -18.476 477 HD2 LYS 59 2HD LYS 59 12.411 -6.909 -15.959 478 HD3 LYS 59 1HD LYS 59 12.534 -5.454 -16.945 479 HE2 LYS 59 2HE LYS 59 11.405 -6.511 -18.763 480 HE3 LYS 59 1HE LYS 59 11.459 -8.076 -17.953 481 HZ1 LYS 59 1HZ LYS 59 9.284 -7.029 -17.756 482 HZ2 LYS 59 2HZ LYS 59 9.980 -5.690 -16.980 483 HZ3 LYS 59 3HZ LYS 59 10.016 -7.217 -16.232 484 H SER 60 H SER 60 16.789 -7.201 -16.754 485 HA SER 60 HA SER 60 17.816 -6.719 -19.392 486 HG SER 60 HG SER 60 20.214 -5.066 -18.202 487 HB2 SER 60 2HB SER 60 17.407 -4.859 -17.835 488 HB3 SER 60 1HB SER 60 18.615 -5.516 -16.734 489 H THR 61 H THR 61 19.252 -7.706 -16.303 490 HA THR 61 HA THR 61 21.832 -8.003 -17.458 491 HB THR 61 HB THR 61 20.864 -8.936 -14.758 492 HG1 THR 61 1HG THR 61 21.610 -6.450 -15.835 493 HG21 THR 61 1HG2 THR 61 23.012 -9.923 -15.413 494 HG22 THR 61 2HG2 THR 61 23.226 -8.745 -14.118 495 HG23 THR 61 3HG2 THR 61 23.642 -8.318 -15.779 496 H ALA 62 H ALA 62 19.210 -10.279 -16.788 497 HA ALA 62 HA ALA 62 20.744 -12.629 -17.174 498 HB1 ALA 62 1HB ALA 62 17.817 -12.232 -17.783 499 HB2 ALA 62 2HB ALA 62 18.482 -12.684 -16.214 500 HB3 ALA 62 3HB ALA 62 18.646 -13.776 -17.587 501 H SER 63 H SER 63 19.303 -10.331 -19.361 502 HA SER 63 HA SER 63 19.723 -11.838 -21.737 503 HG SER 63 HG SER 63 17.542 -9.326 -20.903 504 HB2 SER 63 2HB SER 63 19.529 -8.834 -21.381 505 HB3 SER 63 1HB SER 63 19.371 -9.706 -22.906 506 H LEU 64 H LEU 64 21.610 -9.470 -19.936 507 HA LEU 64 HA LEU 64 23.802 -9.296 -21.692 508 HG LEU 64 HG LEU 64 25.401 -7.062 -19.203 509 HB2 LEU 64 2HB LEU 64 23.252 -7.758 -19.771 510 HB3 LEU 64 1HB LEU 64 23.828 -9.002 -18.684 511 HD11 LEU 64 1HD1 LEU 64 27.383 -8.470 -19.188 512 HD12 LEU 64 2HD1 LEU 64 26.414 -9.861 -19.675 513 HD13 LEU 64 3HD1 LEU 64 26.146 -9.109 -18.102 514 HD21 LEU 64 1HD2 LEU 64 25.710 -8.587 -21.783 515 HD22 LEU 64 2HD2 LEU 64 26.734 -7.257 -21.236 516 HD23 LEU 64 3HD2 LEU 64 25.033 -6.969 -21.605 517 H GLU 65 H GLU 65 23.047 -11.479 -19.031 518 HA GLU 65 HA GLU 65 25.462 -12.961 -19.148 519 HB2 GLU 65 2HB GLU 65 22.753 -13.419 -17.965 520 HB3 GLU 65 1HB GLU 65 23.952 -14.687 -17.971 521 HG2 GLU 65 2HG GLU 65 25.486 -13.016 -16.808 522 HG3 GLU 65 1HG GLU 65 24.022 -12.063 -16.544 523 H HIS 66 H HIS 66 23.006 -12.720 -21.313 524 HA HIS 66 HA HIS 66 22.315 -13.877 -23.137 525 HD1 HIS 66 1HD HIS 66 25.464 -16.832 -24.885 526 HD2 HIS 66 2HD HIS 66 22.143 -14.381 -25.355 527 HE1 HIS 66 1HE HIS 66 24.626 -17.268 -27.215 528 HE2 HIS 66 2HE HIS 66 22.764 -15.600 -27.550 529 HB2 HIS 66 2HB HIS 66 24.869 -14.161 -23.306 530 HB3 HIS 66 1HB HIS 66 24.605 -15.780 -22.683 531 H HIS 67 H HIS 67 21.461 -14.549 -20.421 532 HA HIS 67 HA HIS 67 20.793 -17.394 -20.583 533 HD1 HIS 67 1HD HIS 67 21.997 -15.465 -16.540 534 HD2 HIS 67 2HD HIS 67 22.173 -18.740 -19.105 535 HE1 HIS 67 1HE HIS 67 23.939 -16.845 -15.752 536 HE2 HIS 67 2HE HIS 67 23.858 -18.931 -17.151 537 HB2 HIS 67 2HB HIS 67 20.367 -15.290 -18.455 538 HB3 HIS 67 1HB HIS 67 19.585 -16.863 -18.375 539 H HIS 68 H HIS 68 19.201 -14.242 -20.408 540 HA HIS 68 HA HIS 68 16.544 -15.188 -20.673 541 HD1 HIS 68 1HD HIS 68 14.399 -13.005 -19.695 542 HD2 HIS 68 2HD HIS 68 16.144 -11.546 -23.179 543 HE1 HIS 68 1HE HIS 68 12.575 -11.771 -20.906 544 HE2 HIS 68 2HE HIS 68 13.739 -10.667 -22.852 545 HB2 HIS 68 2HB HIS 68 16.994 -13.027 -19.704 546 HB3 HIS 68 1HB HIS 68 17.809 -12.485 -21.161 547 H HIS 69 H HIS 69 15.525 -15.952 -22.416 548 HA HIS 69 HA HIS 69 16.937 -16.081 -24.909 549 HD1 HIS 69 1HD HIS 69 13.466 -18.131 -22.591 550 HD2 HIS 69 2HD HIS 69 12.763 -15.826 -25.981 551 HE1 HIS 69 1HE HIS 69 11.001 -17.636 -22.579 552 HE2 HIS 69 2HE HIS 69 10.621 -16.132 -24.569 553 HB2 HIS 69 2HB HIS 69 15.180 -17.494 -25.702 554 HB3 HIS 69 1HB HIS 69 15.487 -17.936 -24.032 555 H HIS 70 H HIS 70 16.212 -15.330 -26.951 556 HA HIS 70 HA HIS 70 14.496 -12.937 -26.767 557 HD1 HIS 70 1HD HIS 70 17.612 -11.067 -29.768 558 HD2 HIS 70 2HD HIS 70 13.651 -11.339 -28.528 559 HE1 HIS 70 1HE HIS 70 16.391 -9.226 -30.974 560 HE2 HIS 70 2HE HIS 70 14.054 -9.275 -30.034 561 HB2 HIS 70 2HB HIS 70 16.861 -12.383 -27.229 562 HB3 HIS 70 1HB HIS 70 16.823 -13.426 -28.642 563 H HIS 71 H HIS 71 12.587 -13.879 -27.340 564 HA HIS 71 HA HIS 71 12.104 -14.375 -30.083 565 HD1 HIS 71 1HD HIS 71 12.654 -16.802 -31.952 566 HD2 HIS 71 2HD HIS 71 9.473 -17.660 -29.404 567 HE1 HIS 71 1HE HIS 71 10.957 -18.010 -33.360 568 HE2 HIS 71 2HE HIS 71 9.100 -18.632 -31.775 569 HB2 HIS 71 2HB HIS 71 13.196 -16.540 -29.430 570 HB3 HIS 71 1HB HIS 71 11.891 -16.801 -28.282 571 HA MET 1 HA MET 1 -25.957 20.551 2.471 572 H1 MET 1 1H MET 1 -27.453 22.860 1.387 573 H2 MET 1 2H MET 1 -27.566 21.252 0.870 574 H3 MET 1 3H MET 1 -26.126 22.116 0.635 575 HB2 MET 1 2HB MET 1 -24.580 22.567 2.509 576 HB3 MET 1 1HB MET 1 -25.888 23.477 3.246 577 HG2 MET 1 2HG MET 1 -25.757 22.014 5.226 578 HG3 MET 1 1HG MET 1 -24.387 21.185 4.487 579 HE1 MET 1 1HE MET 1 -22.012 22.347 4.050 580 HE2 MET 1 2HE MET 1 -21.728 24.066 4.324 581 HE3 MET 1 3HE MET 1 -22.863 23.548 3.078 582 H SER 2 H SER 2 -26.860 19.607 4.205 583 HA SER 2 HA SER 2 -28.876 21.023 5.753 584 HG SER 2 HG SER 2 -29.989 20.751 3.652 585 HB2 SER 2 2HB SER 2 -29.392 18.245 4.680 586 HB3 SER 2 1HB SER 2 -30.490 19.227 5.643 587 H GLU 3 H GLU 3 -28.692 20.572 7.878 588 HA GLU 3 HA GLU 3 -26.549 18.753 8.614 589 HB2 GLU 3 2HB GLU 3 -26.888 19.754 10.913 590 HB3 GLU 3 1HB GLU 3 -26.326 20.842 9.657 591 HG2 GLU 3 2HG GLU 3 -28.650 21.652 9.379 592 HG3 GLU 3 1HG GLU 3 -29.130 20.630 10.731 593 H GLY 4 H GLY 4 -27.119 16.747 8.736 594 HA2 GLY 4 2HA GLY 4 -29.312 16.007 10.515 595 HA3 GLY 4 1HA GLY 4 -29.386 15.432 8.855 596 H ALA 5 H ALA 5 -28.977 14.163 11.605 597 HA ALA 5 HA ALA 5 -26.348 13.078 11.609 598 HB1 ALA 5 1HB ALA 5 -27.686 13.230 13.646 599 HB2 ALA 5 2HB ALA 5 -27.178 11.570 13.336 600 HB3 ALA 5 3HB ALA 5 -28.834 12.065 12.983 601 H GLU 6 H GLU 6 -29.295 12.239 10.009 602 HA GLU 6 HA GLU 6 -28.674 9.494 9.541 603 HB2 GLU 6 2HB GLU 6 -30.616 11.311 8.105 604 HB3 GLU 6 1HB GLU 6 -30.571 9.555 7.985 605 HG2 GLU 6 2HG GLU 6 -30.945 9.479 10.450 606 HG3 GLU 6 1HG GLU 6 -31.233 11.213 10.396 607 H GLU 7 H GLU 7 -28.451 12.421 7.565 608 HA GLU 7 HA GLU 7 -27.339 11.295 5.273 609 HB2 GLU 7 2HB GLU 7 -27.195 13.990 6.575 610 HB3 GLU 7 1HB GLU 7 -26.186 13.645 5.189 611 HG2 GLU 7 2HG GLU 7 -28.230 14.784 4.546 612 HG3 GLU 7 1HG GLU 7 -28.138 13.173 3.842 613 H LEU 8 H LEU 8 -25.792 12.492 8.221 614 HA LEU 8 HA LEU 8 -23.142 11.979 7.457 615 HG LEU 8 HG LEU 8 -21.837 13.329 8.980 616 HB2 LEU 8 2HB LEU 8 -24.264 13.223 9.535 617 HB3 LEU 8 1HB LEU 8 -23.974 11.675 10.301 618 HD11 LEU 8 1HD1 LEU 8 -21.136 13.906 11.266 619 HD12 LEU 8 2HD1 LEU 8 -22.568 13.090 11.895 620 HD13 LEU 8 3HD1 LEU 8 -22.741 14.527 10.885 621 HD21 LEU 8 1HD2 LEU 8 -20.295 11.875 10.209 622 HD22 LEU 8 2HD2 LEU 8 -21.302 10.951 9.092 623 HD23 LEU 8 3HD2 LEU 8 -21.663 10.945 10.819 624 H LYS 9 H LYS 9 -25.513 10.036 9.252 625 HA LYS 9 HA LYS 9 -23.857 7.836 9.792 626 HB2 LYS 9 2HB LYS 9 -26.038 8.282 10.891 627 HB3 LYS 9 1HB LYS 9 -26.853 7.851 9.399 628 HG2 LYS 9 2HG LYS 9 -26.933 6.010 10.954 629 HG3 LYS 9 1HG LYS 9 -25.936 5.581 9.563 630 HD2 LYS 9 2HD LYS 9 -23.920 6.027 10.847 631 HD3 LYS 9 1HD LYS 9 -24.891 6.542 12.228 632 HE2 LYS 9 2HE LYS 9 -24.903 3.782 11.005 633 HE3 LYS 9 1HE LYS 9 -24.047 4.244 12.478 634 HZ1 LYS 9 1HZ LYS 9 -26.141 3.193 13.005 635 HZ2 LYS 9 2HZ LYS 9 -26.995 4.323 12.073 636 HZ3 LYS 9 3HZ LYS 9 -26.187 4.818 13.478 637 H ALA 10 H ALA 10 -26.189 8.353 7.170 638 HA ALA 10 HA ALA 10 -25.821 5.900 5.878 639 HB1 ALA 10 1HB ALA 10 -26.523 8.538 4.600 640 HB2 ALA 10 2HB ALA 10 -27.665 7.443 5.383 641 HB3 ALA 10 3HB ALA 10 -26.814 6.935 3.924 642 H LYS 11 H LYS 11 -24.123 8.981 5.478 643 HA LYS 11 HA LYS 11 -22.496 8.084 3.312 644 HB2 LYS 11 2HB LYS 11 -23.020 10.508 4.076 645 HB3 LYS 11 1HB LYS 11 -21.703 10.275 5.217 646 HG2 LYS 11 2HG LYS 11 -20.764 11.361 3.358 647 HG3 LYS 11 1HG LYS 11 -20.266 9.672 3.222 648 HD2 LYS 11 2HD LYS 11 -22.077 9.272 1.621 649 HD3 LYS 11 1HD LYS 11 -22.575 10.960 1.761 650 HE2 LYS 11 2HE LYS 11 -20.270 11.593 0.975 651 HE3 LYS 11 1HE LYS 11 -19.998 9.885 0.630 652 HZ1 LYS 11 1HZ LYS 11 -20.708 10.974 -1.359 653 HZ2 LYS 11 2HZ LYS 11 -22.059 11.642 -0.583 654 HZ3 LYS 11 3HZ LYS 11 -21.973 9.970 -0.838 655 H LEU 12 H LEU 12 -22.012 8.333 6.812 656 HA LEU 12 HA LEU 12 -19.333 7.455 6.843 657 HG LEU 12 HG LEU 12 -19.681 5.788 9.584 658 HB2 LEU 12 2HB LEU 12 -20.275 8.625 8.729 659 HB3 LEU 12 1HB LEU 12 -21.474 7.368 8.968 660 HD11 LEU 12 1HD1 LEU 12 -17.880 8.187 9.315 661 HD12 LEU 12 2HD1 LEU 12 -17.845 6.728 8.327 662 HD13 LEU 12 3HD1 LEU 12 -17.428 6.644 10.040 663 HD21 LEU 12 1HD2 LEU 12 -19.153 6.786 11.758 664 HD22 LEU 12 2HD2 LEU 12 -20.845 7.025 11.320 665 HD23 LEU 12 3HD2 LEU 12 -19.698 8.355 11.164 666 H LYS 13 H LYS 13 -22.409 5.737 7.044 667 HA LYS 13 HA LYS 13 -21.458 3.188 7.680 668 HB2 LYS 13 2HB LYS 13 -23.870 3.995 7.521 669 HB3 LYS 13 1HB LYS 13 -23.740 3.745 5.788 670 HG2 LYS 13 2HG LYS 13 -23.372 1.395 6.095 671 HG3 LYS 13 1HG LYS 13 -23.302 1.595 7.848 672 HD2 LYS 13 2HD LYS 13 -25.645 2.472 7.758 673 HD3 LYS 13 1HD LYS 13 -25.683 2.026 6.053 674 HE2 LYS 13 2HE LYS 13 -25.136 0.105 8.310 675 HE3 LYS 13 1HE LYS 13 -26.717 0.349 7.571 676 HZ1 LYS 13 1HZ LYS 13 -25.849 -0.417 5.477 677 HZ2 LYS 13 2HZ LYS 13 -25.538 -1.576 6.668 678 HZ3 LYS 13 3HZ LYS 13 -24.290 -0.571 6.122 679 H LYS 14 H LYS 14 -21.901 4.753 4.541 680 HA LYS 14 HA LYS 14 -20.988 2.671 2.913 681 HB2 LYS 14 2HB LYS 14 -22.179 4.795 2.208 682 HB3 LYS 14 1HB LYS 14 -20.642 5.626 2.390 683 HG2 LYS 14 2HG LYS 14 -21.076 5.043 0.067 684 HG3 LYS 14 1HG LYS 14 -19.648 4.206 0.684 685 HD2 LYS 14 2HD LYS 14 -20.906 2.625 -0.561 686 HD3 LYS 14 1HD LYS 14 -21.121 2.230 1.139 687 HE2 LYS 14 2HE LYS 14 -23.250 2.049 0.080 688 HE3 LYS 14 1HE LYS 14 -23.272 3.503 1.078 689 HZ1 LYS 14 1HZ LYS 14 -22.774 3.463 -1.851 690 HZ2 LYS 14 2HZ LYS 14 -22.921 4.842 -0.873 691 HZ3 LYS 14 3HZ LYS 14 -24.263 3.837 -1.128 692 H LEU 15 H LEU 15 -19.250 5.487 4.212 693 HA LEU 15 HA LEU 15 -16.714 4.875 3.190 694 HG LEU 15 HG LEU 15 -18.204 7.418 3.460 695 HB2 LEU 15 2HB LEU 15 -17.505 6.404 5.670 696 HB3 LEU 15 1HB LEU 15 -15.870 6.345 5.043 697 HD11 LEU 15 1HD1 LEU 15 -17.353 9.643 4.039 698 HD12 LEU 15 2HD1 LEU 15 -16.186 8.904 5.136 699 HD13 LEU 15 3HD1 LEU 15 -17.912 8.765 5.463 700 HD21 LEU 15 1HD2 LEU 15 -15.219 7.696 3.122 701 HD22 LEU 15 2HD2 LEU 15 -16.453 8.434 2.101 702 HD23 LEU 15 3HD2 LEU 15 -16.278 6.680 2.143 703 H ASN 16 H ASN 16 -18.184 4.064 6.296 704 HA ASN 16 HA ASN 16 -15.893 2.922 7.475 705 HB2 ASN 16 2HB ASN 16 -17.934 3.728 8.686 706 HB3 ASN 16 1HB ASN 16 -18.787 2.305 8.100 707 HD21 ASN 16 1HD2 ASN 16 -19.170 1.576 10.177 708 HD22 ASN 16 2HD2 ASN 16 -17.915 0.900 11.169 709 H ALA 17 H ALA 17 -18.631 1.488 5.734 710 HA ALA 17 HA ALA 17 -17.849 -1.202 6.028 711 HB1 ALA 17 1HB ALA 17 -19.416 0.041 3.767 712 HB2 ALA 17 2HB ALA 17 -20.093 -0.537 5.290 713 HB3 ALA 17 3HB ALA 17 -19.345 -1.674 4.168 714 H GLN 18 H GLN 18 -17.210 1.171 3.476 715 HA GLN 18 HA GLN 18 -15.713 -0.481 1.782 716 HB2 GLN 18 2HB GLN 18 -16.596 1.758 1.168 717 HB3 GLN 18 1HB GLN 18 -15.401 2.495 2.225 718 HG2 GLN 18 2HG GLN 18 -13.611 1.518 0.845 719 HG3 GLN 18 1HG GLN 18 -14.836 0.859 -0.239 720 HE21 GLN 18 1HE2 GLN 18 -13.217 3.714 0.862 721 HE22 GLN 18 2HE2 GLN 18 -13.768 4.764 -0.394 722 H ALA 19 H ALA 19 -14.717 1.606 4.468 723 HA ALA 19 HA ALA 19 -11.944 1.228 4.211 724 HB1 ALA 19 1HB ALA 19 -12.992 3.020 5.544 725 HB2 ALA 19 2HB ALA 19 -11.783 2.115 6.453 726 HB3 ALA 19 3HB ALA 19 -13.497 1.815 6.730 727 H THR 20 H THR 20 -14.338 -0.478 6.224 728 HA THR 20 HA THR 20 -12.499 -2.229 7.445 729 HB THR 20 HB THR 20 -15.440 -2.722 6.912 730 HG1 THR 20 1HG THR 20 -14.176 -0.930 8.500 731 HG21 THR 20 1HG2 THR 20 -14.224 -4.748 7.577 732 HG22 THR 20 2HG2 THR 20 -15.302 -4.208 8.864 733 HG23 THR 20 3HG2 THR 20 -13.570 -3.901 8.978 734 H ALA 21 H ALA 21 -14.399 -2.474 4.466 735 HA ALA 21 HA ALA 21 -13.708 -5.122 3.810 736 HB1 ALA 21 1HB ALA 21 -14.385 -4.557 1.532 737 HB2 ALA 21 2HB ALA 21 -14.370 -2.842 1.949 738 HB3 ALA 21 3HB ALA 21 -15.534 -3.927 2.712 739 H LEU 22 H LEU 22 -12.140 -2.029 3.125 740 HA LEU 22 HA LEU 22 -10.065 -3.060 1.504 741 HG LEU 22 HG LEU 22 -11.762 -0.516 1.331 742 HB2 LEU 22 2HB LEU 22 -10.174 -0.580 3.215 743 HB3 LEU 22 1HB LEU 22 -8.873 -0.947 2.100 744 HD11 LEU 22 1HD1 LEU 22 -10.675 1.537 2.076 745 HD12 LEU 22 2HD1 LEU 22 -10.959 1.563 0.336 746 HD13 LEU 22 3HD1 LEU 22 -9.341 1.244 0.961 747 HD21 LEU 22 1HD2 LEU 22 -9.304 -0.948 -0.361 748 HD22 LEU 22 2HD2 LEU 22 -10.905 -0.523 -0.968 749 HD23 LEU 22 3HD2 LEU 22 -10.648 -2.072 -0.165 750 H LYS 23 H LYS 23 -10.291 -2.444 4.993 751 HA LYS 23 HA LYS 23 -7.710 -3.162 5.743 752 HB2 LYS 23 2HB LYS 23 -9.406 -2.198 7.277 753 HB3 LYS 23 1HB LYS 23 -10.273 -3.723 7.259 754 HG2 LYS 23 2HG LYS 23 -7.416 -3.674 8.114 755 HG3 LYS 23 1HG LYS 23 -8.667 -3.128 9.229 756 HD2 LYS 23 2HD LYS 23 -9.765 -5.257 9.140 757 HD3 LYS 23 1HD LYS 23 -8.707 -5.806 7.839 758 HE2 LYS 23 2HE LYS 23 -8.041 -6.782 9.968 759 HE3 LYS 23 1HE LYS 23 -6.790 -5.705 9.352 760 HZ1 LYS 23 1HZ LYS 23 -7.582 -3.998 10.882 761 HZ2 LYS 23 2HZ LYS 23 -7.119 -5.393 11.717 762 HZ3 LYS 23 3HZ LYS 23 -8.765 -5.046 11.479 763 H MET 24 H MET 24 -10.545 -5.182 5.171 764 HA MET 24 HA MET 24 -9.313 -7.629 5.903 765 HB2 MET 24 2HB MET 24 -11.705 -7.072 4.140 766 HB3 MET 24 1HB MET 24 -11.212 -8.677 4.661 767 HG2 MET 24 2HG MET 24 -11.556 -8.037 6.982 768 HG3 MET 24 1HG MET 24 -12.040 -6.421 6.470 769 HE1 MET 24 1HE MET 24 -14.342 -6.620 7.814 770 HE2 MET 24 2HE MET 24 -13.790 -8.196 8.378 771 HE3 MET 24 3HE MET 24 -15.405 -8.021 7.693 772 H ASP 25 H ASP 25 -9.805 -6.008 2.779 773 HA ASP 25 HA ASP 25 -8.809 -8.222 1.279 774 HB2 ASP 25 2HB ASP 25 -10.339 -6.107 0.608 775 HB3 ASP 25 1HB ASP 25 -8.779 -5.553 0.002 776 H LEU 26 H LEU 26 -7.394 -5.160 2.365 777 HA LEU 26 HA LEU 26 -4.949 -5.416 0.983 778 HG LEU 26 HG LEU 26 -3.081 -4.275 3.224 779 HB2 LEU 26 2HB LEU 26 -5.681 -3.315 2.019 780 HB3 LEU 26 1HB LEU 26 -5.518 -4.035 3.610 781 HD11 LEU 26 1HD1 LEU 26 -3.068 -4.397 0.806 782 HD12 LEU 26 2HD1 LEU 26 -2.050 -3.066 1.358 783 HD13 LEU 26 3HD1 LEU 26 -3.652 -2.736 0.697 784 HD21 LEU 26 1HD2 LEU 26 -4.173 -1.482 2.903 785 HD22 LEU 26 2HD2 LEU 26 -2.546 -1.894 3.448 786 HD23 LEU 26 3HD2 LEU 26 -3.944 -2.347 4.423 787 H HIS 27 H HIS 27 -5.940 -6.428 4.225 788 HA HIS 27 HA HIS 27 -3.425 -7.566 4.916 789 HD1 HIS 27 1HD HIS 27 -6.131 -9.618 8.130 790 HD2 HIS 27 2HD HIS 27 -2.313 -8.481 6.922 791 HE1 HIS 27 1HE HIS 27 -4.541 -10.885 9.612 792 HE2 HIS 27 2HE HIS 27 -2.253 -10.370 8.695 793 HB2 HIS 27 2HB HIS 27 -5.170 -6.871 6.566 794 HB3 HIS 27 1HB HIS 27 -6.157 -8.230 6.045 795 H ASP 28 H ASP 28 -6.313 -8.746 3.348 796 HA ASP 28 HA ASP 28 -5.662 -11.495 3.291 797 HB2 ASP 28 2HB ASP 28 -7.928 -10.605 2.858 798 HB3 ASP 28 1HB ASP 28 -7.349 -9.880 1.365 799 H LEU 29 H LEU 29 -5.067 -8.836 1.033 800 HA LEU 29 HA LEU 29 -3.753 -10.396 -0.938 801 HG LEU 29 HG LEU 29 -1.712 -8.116 -1.796 802 HB2 LEU 29 2HB LEU 29 -4.713 -8.211 -1.429 803 HB3 LEU 29 1HB LEU 29 -3.588 -7.444 -0.324 804 HD11 LEU 29 1HD1 LEU 29 -2.180 -8.949 -4.041 805 HD12 LEU 29 2HD1 LEU 29 -3.896 -9.060 -3.646 806 HD13 LEU 29 3HD1 LEU 29 -2.732 -10.086 -2.810 807 HD21 LEU 29 1HD2 LEU 29 -2.185 -6.520 -3.580 808 HD22 LEU 29 2HD2 LEU 29 -2.734 -5.912 -2.019 809 HD23 LEU 29 3HD2 LEU 29 -3.900 -6.563 -3.170 810 H ALA 30 H ALA 30 -2.645 -8.695 1.937 811 HA ALA 30 HA ALA 30 0.130 -8.941 1.456 812 HB1 ALA 30 1HB ALA 30 -1.295 -8.791 4.113 813 HB2 ALA 30 2HB ALA 30 -0.800 -7.410 3.133 814 HB3 ALA 30 3HB ALA 30 0.418 -8.482 3.826 815 H GLU 31 H GLU 31 -2.275 -11.143 2.648 816 HA GLU 31 HA GLU 31 -0.338 -13.121 3.506 817 HB2 GLU 31 2HB GLU 31 -2.923 -12.633 4.210 818 HB3 GLU 31 1HB GLU 31 -3.141 -13.931 3.046 819 HG2 GLU 31 2HG GLU 31 -2.993 -14.973 5.136 820 HG3 GLU 31 1HG GLU 31 -1.427 -15.234 4.369 821 H ASP 32 H ASP 32 -2.010 -12.173 0.676 822 HA ASP 32 HA ASP 32 -1.568 -14.721 -0.701 823 HB2 ASP 32 2HB ASP 32 -3.776 -13.407 -0.824 824 HB3 ASP 32 1HB ASP 32 -2.909 -12.256 -1.831 825 H LEU 33 H LEU 33 0.514 -12.746 0.109 826 HA LEU 33 HA LEU 33 1.544 -11.291 -1.973 827 HG LEU 33 HG LEU 33 1.764 -10.174 0.537 828 HB2 LEU 33 2HB LEU 33 2.639 -12.434 0.500 829 HB3 LEU 33 1HB LEU 33 3.817 -11.993 -0.724 830 HD11 LEU 33 1HD1 LEU 33 3.700 -10.661 1.944 831 HD12 LEU 33 2HD1 LEU 33 3.705 -8.985 1.399 832 HD13 LEU 33 3HD1 LEU 33 4.777 -10.161 0.639 833 HD21 LEU 33 1HD2 LEU 33 2.015 -9.616 -1.835 834 HD22 LEU 33 2HD2 LEU 33 3.769 -9.582 -1.648 835 HD23 LEU 33 3HD2 LEU 33 2.771 -8.385 -0.820 836 HA PRO 34 HA PRO 34 4.244 -12.130 -5.095 837 HB2 PRO 34 2HB PRO 34 4.756 -14.870 -3.987 838 HB3 PRO 34 1HB PRO 34 5.698 -13.975 -5.199 839 HG2 PRO 34 2HG PRO 34 6.082 -13.784 -2.429 840 HG3 PRO 34 1HG PRO 34 6.628 -12.587 -3.618 841 HD2 PRO 34 2HD PRO 34 4.726 -12.102 -1.603 842 HD3 PRO 34 1HD PRO 34 4.917 -11.118 -3.078 843 H THR 35 H THR 35 1.323 -13.203 -4.258 844 HA THR 35 HA THR 35 0.924 -13.652 -7.130 845 HB THR 35 HB THR 35 -1.326 -14.734 -6.351 846 HG1 THR 35 1HG THR 35 -0.801 -14.275 -4.066 847 HG21 THR 35 1HG2 THR 35 -0.287 -16.953 -6.369 848 HG22 THR 35 2HG2 THR 35 1.294 -16.215 -6.123 849 HG23 THR 35 3HG2 THR 35 0.399 -15.909 -7.611 850 H GLY 36 H GLY 36 -0.425 -12.193 -8.094 851 HA2 GLY 36 2HA GLY 36 -1.849 -10.401 -8.319 852 HA3 GLY 36 1HA GLY 36 -2.476 -10.797 -6.728 853 H TRP 37 H TRP 37 0.903 -10.224 -6.810 854 HA TRP 37 HA TRP 37 0.885 -8.025 -5.133 855 HD1 TRP 37 HD TRP 37 4.181 -6.826 -7.860 856 HE1 TRP 37 1HE TRP 37 4.920 -7.893 -10.083 857 HE3 TRP 37 3HE TRP 37 2.250 -11.512 -7.194 858 HZ2 TRP 37 2HZ TRP 37 4.719 -10.391 -11.378 859 HZ3 TRP 37 3HZ TRP 37 2.570 -13.181 -8.972 860 HH2 TRP 37 HH TRP 37 3.779 -12.629 -11.019 861 HB2 TRP 37 2HB TRP 37 3.237 -7.786 -5.620 862 HB3 TRP 37 1HB TRP 37 2.847 -9.501 -5.555 863 H ASN 38 H ASN 38 0.378 -8.147 -8.546 864 HA ASN 38 HA ASN 38 1.058 -5.495 -9.223 865 HB2 ASN 38 2HB ASN 38 0.559 -7.352 -10.841 866 HB3 ASN 38 1HB ASN 38 -1.146 -7.175 -10.441 867 HD21 ASN 38 1HD2 ASN 38 -1.782 -6.576 -12.475 868 HD22 ASN 38 2HD2 ASN 38 -1.346 -5.061 -13.197 869 H ARG 39 H ARG 39 -1.568 -6.830 -7.450 870 HA ARG 39 HA ARG 39 -3.417 -4.669 -7.833 871 HE ARG 39 HE ARG 39 -6.812 -6.759 -6.396 872 HB2 ARG 39 2HB ARG 39 -3.309 -6.885 -5.785 873 HB3 ARG 39 1HB ARG 39 -4.646 -5.773 -5.981 874 HG2 ARG 39 2HG ARG 39 -5.051 -6.630 -8.219 875 HG3 ARG 39 1HG ARG 39 -3.681 -7.733 -8.042 876 HD2 ARG 39 2HD ARG 39 -5.855 -8.825 -7.597 877 HD3 ARG 39 1HD ARG 39 -4.767 -8.861 -6.209 878 HH11 ARG 39 1HH1 ARG 39 -5.541 -9.598 -4.774 879 HH12 ARG 39 2HH1 ARG 39 -6.511 -9.372 -3.346 880 HH21 ARG 39 1HH2 ARG 39 -8.071 -6.450 -4.542 881 HH22 ARG 39 2HH2 ARG 39 -7.968 -7.565 -3.208 882 H ILE 40 H ILE 40 -0.654 -5.149 -5.900 883 HA ILE 40 HA ILE 40 -1.337 -4.110 -3.438 884 HB ILE 40 HB ILE 40 1.287 -4.029 -4.908 885 HG12 ILE 40 2HG1 ILE 40 0.294 -5.639 -2.549 886 HG13 ILE 40 1HG1 ILE 40 0.431 -6.223 -4.203 887 HG21 ILE 40 1HG2 ILE 40 2.378 -3.370 -2.826 888 HG22 ILE 40 2HG2 ILE 40 0.806 -3.207 -2.041 889 HG23 ILE 40 3HG2 ILE 40 1.249 -2.127 -3.363 890 HD11 ILE 40 1HD1 ILE 40 2.847 -5.935 -4.107 891 HD12 ILE 40 2HD1 ILE 40 2.271 -7.002 -2.828 892 HD13 ILE 40 3HD1 ILE 40 2.714 -5.336 -2.455 893 H MET 41 H MET 41 -0.170 -2.279 -6.268 894 HA MET 41 HA MET 41 -0.019 0.211 -4.985 895 HB2 MET 41 2HB MET 41 -0.508 -0.441 -7.894 896 HB3 MET 41 1HB MET 41 -0.178 1.177 -7.298 897 HG2 MET 41 2HG MET 41 1.720 -1.094 -6.834 898 HG3 MET 41 1HG MET 41 1.743 -0.150 -8.318 899 HE1 MET 41 1HE MET 41 2.533 -0.395 -4.604 900 HE2 MET 41 2HE MET 41 1.417 0.949 -4.355 901 HE3 MET 41 3HE MET 41 3.148 1.195 -4.155 902 H GLU 42 H GLU 42 -2.704 -1.318 -6.697 903 HA GLU 42 HA GLU 42 -4.421 0.934 -6.609 904 HB2 GLU 42 2HB GLU 42 -4.653 -1.038 -8.150 905 HB3 GLU 42 1HB GLU 42 -5.181 -1.990 -6.775 906 HG2 GLU 42 2HG GLU 42 -7.137 -1.373 -7.893 907 HG3 GLU 42 1HG GLU 42 -7.046 -0.305 -6.495 908 H VAL 43 H VAL 43 -4.338 -2.058 -4.717 909 HA VAL 43 HA VAL 43 -6.448 -1.376 -2.990 910 HB VAL 43 HB VAL 43 -4.151 -3.261 -2.427 911 HG11 VAL 43 1HG1 VAL 43 -5.702 -4.349 -0.883 912 HG12 VAL 43 2HG1 VAL 43 -6.929 -3.135 -1.248 913 HG13 VAL 43 3HG1 VAL 43 -5.439 -2.667 -0.427 914 HG21 VAL 43 1HG2 VAL 43 -5.649 -5.017 -3.269 915 HG22 VAL 43 2HG2 VAL 43 -5.273 -3.829 -4.519 916 HG23 VAL 43 3HG2 VAL 43 -6.837 -3.789 -3.706 917 H ALA 44 H ALA 44 -2.936 -0.941 -2.661 918 HA ALA 44 HA ALA 44 -3.011 -0.064 0.023 919 HB1 ALA 44 1HB ALA 44 -0.933 0.566 -2.062 920 HB2 ALA 44 2HB ALA 44 -0.969 -0.886 -1.064 921 HB3 ALA 44 3HB ALA 44 -0.741 0.693 -0.314 922 H GLU 45 H GLU 45 -3.086 1.717 -3.068 923 HA GLU 45 HA GLU 45 -2.964 4.266 -1.772 924 HB2 GLU 45 2HB GLU 45 -2.406 3.614 -4.255 925 HB3 GLU 45 1HB GLU 45 -4.117 3.923 -4.515 926 HG2 GLU 45 2HG GLU 45 -3.845 6.179 -3.614 927 HG3 GLU 45 1HG GLU 45 -2.129 5.873 -3.375 928 H LYS 46 H LYS 46 -5.496 2.117 -2.819 929 HA LYS 46 HA LYS 46 -7.722 3.819 -2.478 930 HB2 LYS 46 2HB LYS 46 -7.505 1.401 -3.468 931 HB3 LYS 46 1HB LYS 46 -7.792 0.889 -1.812 932 HG2 LYS 46 2HG LYS 46 -9.894 0.843 -2.807 933 HG3 LYS 46 1HG LYS 46 -9.874 2.368 -1.913 934 HD2 LYS 46 2HD LYS 46 -10.806 2.584 -4.203 935 HD3 LYS 46 1HD LYS 46 -9.382 3.595 -3.934 936 HE2 LYS 46 2HE LYS 46 -7.978 1.956 -5.057 937 HE3 LYS 46 1HE LYS 46 -9.365 0.890 -5.271 938 HZ1 LYS 46 1HZ LYS 46 -8.736 2.236 -7.252 939 HZ2 LYS 46 2HZ LYS 46 -9.237 3.624 -6.407 940 HZ3 LYS 46 3HZ LYS 46 -10.353 2.396 -6.764 941 H THR 47 H THR 47 -6.129 1.533 -0.318 942 HA THR 47 HA THR 47 -7.789 1.887 1.906 943 HB THR 47 HB THR 47 -4.892 1.027 1.842 944 HG1 THR 47 1HG THR 47 -6.076 -0.340 0.541 945 HG21 THR 47 1HG2 THR 47 -5.699 1.587 4.096 946 HG22 THR 47 2HG2 THR 47 -5.405 -0.143 3.918 947 HG23 THR 47 3HG2 THR 47 -7.055 0.481 3.875 948 H TYR 48 H TYR 48 -4.697 3.435 1.037 949 HA TYR 48 HA TYR 48 -4.428 4.959 3.377 950 HD1 TYR 48 1HD TYR 48 -2.152 6.269 3.997 951 HD2 TYR 48 2HD TYR 48 -3.311 7.785 0.193 952 HE1 TYR 48 1HE TYR 48 -1.376 8.508 4.661 953 HE2 TYR 48 2HE TYR 48 -2.539 10.026 0.845 954 HH TYR 48 HH TYR 48 -0.676 10.602 3.673 955 HB2 TYR 48 2HB TYR 48 -2.530 4.772 1.932 956 HB3 TYR 48 1HB TYR 48 -3.412 5.478 0.579 957 H GLU 49 H GLU 49 -5.902 5.825 0.249 958 HA GLU 49 HA GLU 49 -6.543 8.472 0.875 959 HB2 GLU 49 2HB GLU 49 -6.642 7.440 -1.402 960 HB3 GLU 49 1HB GLU 49 -8.121 6.624 -0.922 961 HG2 GLU 49 2HG GLU 49 -9.198 8.794 -0.557 962 HG3 GLU 49 1HG GLU 49 -7.717 9.603 -1.069 963 H ALA 50 H ALA 50 -8.503 5.528 1.155 964 HA ALA 50 HA ALA 50 -10.817 6.756 2.148 965 HB1 ALA 50 1HB ALA 50 -9.870 3.949 2.704 966 HB2 ALA 50 2HB ALA 50 -10.731 4.464 1.255 967 HB3 ALA 50 3HB ALA 50 -11.524 4.550 2.827 968 H TYR 51 H TYR 51 -8.035 5.375 3.884 969 HA TYR 51 HA TYR 51 -9.165 5.743 6.457 970 HD1 TYR 51 2HD TYR 51 -9.556 3.973 6.109 971 HD2 TYR 51 1HD TYR 51 -5.440 3.095 6.722 972 HE1 TYR 51 2HE TYR 51 -10.105 1.589 6.353 973 HE2 TYR 51 1HE TYR 51 -5.981 0.712 6.963 974 HH TYR 51 HH TYR 51 -7.821 -0.703 7.493 975 HB2 TYR 51 2HB TYR 51 -6.363 5.257 5.487 976 HB3 TYR 51 1HB TYR 51 -6.718 5.515 7.189 977 H ARG 52 H ARG 52 -6.892 7.674 4.529 978 HA ARG 52 HA ARG 52 -6.406 9.624 6.502 979 HE ARG 52 HE ARG 52 -5.307 13.946 3.755 980 HB2 ARG 52 2HB ARG 52 -4.942 9.496 4.594 981 HB3 ARG 52 1HB ARG 52 -6.278 9.804 3.489 982 HG2 ARG 52 2HG ARG 52 -6.532 12.045 4.387 983 HG3 ARG 52 1HG ARG 52 -5.237 11.744 5.542 984 HD2 ARG 52 2HD ARG 52 -3.631 11.553 3.772 985 HD3 ARG 52 1HD ARG 52 -4.901 11.630 2.551 986 HH11 ARG 52 1HH1 ARG 52 -2.253 12.435 2.896 987 HH12 ARG 52 2HH1 ARG 52 -1.440 13.946 2.615 988 HH21 ARG 52 1HH2 ARG 52 -4.236 15.935 3.400 989 HH22 ARG 52 2HH2 ARG 52 -2.555 15.943 2.935 990 H GLN 53 H GLN 53 -8.665 9.616 3.761 991 HA GLN 53 HA GLN 53 -9.827 12.110 4.353 992 HB2 GLN 53 2HB GLN 53 -10.296 9.926 2.485 993 HB3 GLN 53 1HB GLN 53 -11.793 10.681 3.015 994 HG2 GLN 53 2HG GLN 53 -10.886 11.685 0.964 995 HG3 GLN 53 1HG GLN 53 -11.024 12.841 2.286 996 HE21 GLN 53 1HE2 GLN 53 -9.496 14.232 1.473 997 HE22 GLN 53 2HE2 GLN 53 -7.811 13.860 1.434 998 H LEU 54 H LEU 54 -10.505 8.885 5.557 999 HA LEU 54 HA LEU 54 -12.973 9.492 6.802 1000 HG LEU 54 HG LEU 54 -12.667 7.757 9.349 1001 HB2 LEU 54 2HB LEU 54 -12.102 7.193 6.437 1002 HB3 LEU 54 1HB LEU 54 -10.885 7.487 7.662 1003 HD11 LEU 54 1HD1 LEU 54 -14.510 6.929 7.113 1004 HD12 LEU 54 2HD1 LEU 54 -14.448 8.524 7.865 1005 HD13 LEU 54 3HD1 LEU 54 -14.953 7.123 8.812 1006 HD21 LEU 54 1HD2 LEU 54 -12.807 5.177 7.792 1007 HD22 LEU 54 2HD2 LEU 54 -13.292 5.404 9.472 1008 HD23 LEU 54 3HD2 LEU 54 -11.599 5.585 9.012 1009 H ASP 55 H ASP 55 -9.618 9.570 7.987 1010 HA ASP 55 HA ASP 55 -10.220 10.547 10.575 1011 HB2 ASP 55 2HB ASP 55 -8.056 9.535 10.073 1012 HB3 ASP 55 1HB ASP 55 -7.696 10.811 8.917 1013 H GLU 56 H GLU 56 -9.367 12.154 7.537 1014 HA GLU 56 HA GLU 56 -9.430 14.782 8.550 1015 HB2 GLU 56 2HB GLU 56 -9.770 13.690 5.761 1016 HB3 GLU 56 1HB GLU 56 -9.784 15.412 6.107 1017 HG2 GLU 56 2HG GLU 56 -7.524 14.999 7.250 1018 HG3 GLU 56 1HG GLU 56 -7.532 13.460 6.392 1019 H PHE 57 H PHE 57 -11.960 12.704 7.215 1020 HA PHE 57 HA PHE 57 -14.018 14.622 7.211 1021 HD1 PHE 57 1HD PHE 57 -16.047 13.975 5.481 1022 HD2 PHE 57 2HD PHE 57 -16.290 11.460 8.911 1023 HE1 PHE 57 1HE PHE 57 -18.490 14.251 5.510 1024 HE2 PHE 57 2HE PHE 57 -18.734 11.732 8.939 1025 HZ PHE 57 HZ PHE 57 -19.836 13.131 7.238 1026 HB2 PHE 57 2HB PHE 57 -14.204 12.385 6.143 1027 HB3 PHE 57 1HB PHE 57 -14.259 11.649 7.740 1028 H ARG 58 H ARG 58 -12.913 12.352 9.703 1029 HA ARG 58 HA ARG 58 -14.712 13.044 11.719 1030 HE ARG 58 HE ARG 58 -15.940 11.962 12.668 1031 HB2 ARG 58 2HB ARG 58 -11.994 11.843 11.619 1032 HB3 ARG 58 1HB ARG 58 -12.574 12.406 13.170 1033 HG2 ARG 58 2HG ARG 58 -14.299 10.625 11.524 1034 HG3 ARG 58 1HG ARG 58 -12.949 9.942 12.430 1035 HD2 ARG 58 2HD ARG 58 -14.868 9.759 13.820 1036 HD3 ARG 58 1HD ARG 58 -13.893 11.068 14.478 1037 HH11 ARG 58 1HH1 ARG 58 -15.235 11.063 15.980 1038 HH12 ARG 58 2HH1 ARG 58 -16.557 11.979 16.646 1039 HH21 ARG 58 1HH2 ARG 58 -17.704 13.160 13.558 1040 HH22 ARG 58 2HH2 ARG 58 -17.964 13.162 15.278 1041 H LYS 59 H LYS 59 -11.500 14.371 10.974 1042 HA LYS 59 HA LYS 59 -11.349 16.307 12.972 1043 HB2 LYS 59 2HB LYS 59 -10.101 15.868 10.342 1044 HB3 LYS 59 1HB LYS 59 -10.140 17.547 10.856 1045 HG2 LYS 59 2HG LYS 59 -8.058 16.466 11.488 1046 HG3 LYS 59 1HG LYS 59 -8.978 16.979 12.901 1047 HD2 LYS 59 2HD LYS 59 -9.742 14.710 13.266 1048 HD3 LYS 59 1HD LYS 59 -8.922 14.175 11.797 1049 HE2 LYS 59 2HE LYS 59 -7.630 13.637 13.815 1050 HE3 LYS 59 1HE LYS 59 -6.770 14.754 12.757 1051 HZ1 LYS 59 1HZ LYS 59 -7.421 16.582 14.184 1052 HZ2 LYS 59 2HZ LYS 59 -6.617 15.396 15.091 1053 HZ3 LYS 59 3HZ LYS 59 -8.305 15.530 15.184 1054 H SER 60 H SER 60 -12.664 16.591 9.692 1055 HA SER 60 HA SER 60 -13.393 19.295 9.874 1056 HG SER 60 HG SER 60 -12.409 17.231 7.754 1057 HB2 SER 60 2HB SER 60 -14.608 17.140 8.133 1058 HB3 SER 60 1HB SER 60 -14.716 18.880 7.861 1059 H THR 61 H THR 61 -15.311 16.348 10.322 1060 HA THR 61 HA THR 61 -17.701 17.833 10.786 1061 HB THR 61 HB THR 61 -17.683 15.524 9.814 1062 HG1 THR 61 1HG THR 61 -19.261 16.023 12.137 1063 HG21 THR 61 1HG2 THR 61 -16.075 14.464 11.311 1064 HG22 THR 61 2HG2 THR 61 -17.616 13.608 11.343 1065 HG23 THR 61 3HG2 THR 61 -17.177 14.683 12.670 1066 H ALA 62 H ALA 62 -15.256 16.401 12.931 1067 HA ALA 62 HA ALA 62 -16.823 16.463 15.282 1068 HB1 ALA 62 1HB ALA 62 -14.720 16.270 16.502 1069 HB2 ALA 62 2HB ALA 62 -13.825 16.664 15.032 1070 HB3 ALA 62 3HB ALA 62 -14.761 15.173 15.120 1071 H SER 63 H SER 63 -14.832 18.877 13.706 1072 HA SER 63 HA SER 63 -14.802 20.785 15.788 1073 HG SER 63 HG SER 63 -12.948 19.963 13.234 1074 HB2 SER 63 2HB SER 63 -14.651 21.237 12.795 1075 HB3 SER 63 1HB SER 63 -14.148 22.382 14.040 1076 H LEU 64 H LEU 64 -17.101 20.038 13.253 1077 HA LEU 64 HA LEU 64 -18.785 22.311 13.943 1078 HG LEU 64 HG LEU 64 -19.149 22.200 10.285 1079 HB2 LEU 64 2HB LEU 64 -18.793 20.245 11.777 1080 HB3 LEU 64 1HB LEU 64 -20.257 21.137 12.113 1081 HD11 LEU 64 1HD1 LEU 64 -20.186 23.697 11.885 1082 HD12 LEU 64 2HD1 LEU 64 -18.760 24.441 11.162 1083 HD13 LEU 64 3HD1 LEU 64 -18.679 23.787 12.797 1084 HD21 LEU 64 1HD2 LEU 64 -16.871 23.051 10.420 1085 HD22 LEU 64 2HD2 LEU 64 -16.913 21.301 10.635 1086 HD23 LEU 64 3HD2 LEU 64 -16.699 22.354 12.033 1087 H GLU 65 H GLU 65 -18.442 19.003 14.647 1088 HA GLU 65 HA GLU 65 -21.133 18.385 15.337 1089 HB2 GLU 65 2HB GLU 65 -19.334 16.763 14.659 1090 HB3 GLU 65 1HB GLU 65 -18.586 17.024 16.220 1091 HG2 GLU 65 2HG GLU 65 -20.363 15.989 17.360 1092 HG3 GLU 65 1HG GLU 65 -21.400 16.027 15.934 1093 H HIS 66 H HIS 66 -18.672 20.111 16.768 1094 HA HIS 66 HA HIS 66 -18.522 21.317 18.697 1095 HD1 HIS 66 1HD HIS 66 -22.629 21.901 20.930 1096 HD2 HIS 66 2HD HIS 66 -18.618 22.888 20.423 1097 HE1 HIS 66 1HE HIS 66 -22.122 23.625 22.695 1098 HE2 HIS 66 2HE HIS 66 -19.741 24.336 22.242 1099 HB2 HIS 66 2HB HIS 66 -21.021 21.577 18.289 1100 HB3 HIS 66 1HB HIS 66 -21.258 20.248 19.410 1101 H HIS 67 H HIS 67 -17.936 18.391 18.363 1102 HA HIS 67 HA HIS 67 -16.908 16.750 19.526 1103 HD1 HIS 67 1HD HIS 67 -14.768 19.920 22.159 1104 HD2 HIS 67 2HD HIS 67 -14.783 17.223 18.988 1105 HE1 HIS 67 1HE HIS 67 -12.613 20.308 20.925 1106 HE2 HIS 67 2HE HIS 67 -12.563 18.550 19.119 1107 HB2 HIS 67 2HB HIS 67 -17.055 18.767 21.755 1108 HB3 HIS 67 1HB HIS 67 -16.386 17.158 22.001 1109 H HIS 68 H HIS 68 -19.627 18.136 21.319 1110 HA HIS 68 HA HIS 68 -20.455 15.459 22.157 1111 HD1 HIS 68 1HD HIS 68 -21.419 16.533 25.802 1112 HD2 HIS 68 2HD HIS 68 -23.943 15.883 22.559 1113 HE1 HIS 68 1HE HIS 68 -23.396 15.267 26.718 1114 HE2 HIS 68 2HE HIS 68 -25.000 15.080 24.778 1115 HB2 HIS 68 2HB HIS 68 -20.484 17.446 23.732 1116 HB3 HIS 68 1HB HIS 68 -21.773 18.122 22.746 1117 H HIS 69 H HIS 69 -21.474 14.379 20.571 1118 HA HIS 69 HA HIS 69 -22.719 15.755 18.394 1119 HD1 HIS 69 1HD HIS 69 -23.796 11.403 17.189 1120 HD2 HIS 69 2HD HIS 69 -23.135 15.332 15.981 1121 HE1 HIS 69 1HE HIS 69 -24.817 11.595 14.898 1122 HE2 HIS 69 2HE HIS 69 -24.207 13.910 14.114 1123 HB2 HIS 69 2HB HIS 69 -21.462 13.603 18.165 1124 HB3 HIS 69 1HB HIS 69 -22.784 12.794 18.997 1125 H HIS 70 H HIS 70 -24.273 12.972 19.884 1126 HA HIS 70 HA HIS 70 -26.443 14.114 21.154 1127 HD1 HIS 70 1HD HIS 70 -29.391 12.530 18.517 1128 HD2 HIS 70 2HD HIS 70 -28.902 16.029 20.723 1129 HE1 HIS 70 1HE HIS 70 -31.675 13.108 19.393 1130 HE2 HIS 70 2HE HIS 70 -31.380 15.279 20.631 1131 HB2 HIS 70 2HB HIS 70 -26.861 15.183 18.895 1132 HB3 HIS 70 1HB HIS 70 -27.099 13.569 18.238 1133 H HIS 71 H HIS 71 -28.142 12.509 21.563 1134 HA HIS 71 HA HIS 71 -27.543 9.835 20.529 1135 HD1 HIS 71 1HD HIS 71 -26.321 11.587 24.310 1136 HD2 HIS 71 2HD HIS 71 -30.340 10.524 24.086 1137 HE1 HIS 71 1HE HIS 71 -27.472 12.879 26.139 1138 HE2 HIS 71 2HE HIS 71 -29.920 12.357 25.868 1139 HB2 HIS 71 2HB HIS 71 -28.314 8.919 22.776 1140 HB3 HIS 71 1HB HIS 71 -26.726 9.673 22.746 Start of MODEL 12 1 HA MET 1 HA MET 1 33.961 -0.636 -16.313 2 H1 MET 1 1H MET 1 32.867 1.300 -18.264 3 H2 MET 1 2H MET 1 34.506 0.953 -17.992 4 H3 MET 1 3H MET 1 33.585 1.702 -16.781 5 HB2 MET 1 2HB MET 1 31.154 0.295 -16.862 6 HB3 MET 1 1HB MET 1 31.479 -1.280 -16.153 7 HG2 MET 1 2HG MET 1 32.673 -0.162 -14.309 8 HG3 MET 1 1HG MET 1 32.225 1.398 -15.002 9 HE1 MET 1 1HE MET 1 31.597 0.430 -11.992 10 HE2 MET 1 2HE MET 1 29.952 1.034 -11.794 11 HE3 MET 1 3HE MET 1 31.165 2.028 -12.601 12 H SER 2 H SER 2 34.231 -2.627 -17.049 13 HA SER 2 HA SER 2 33.496 -3.289 -19.779 14 HG SER 2 HG SER 2 36.761 -4.350 -18.790 15 HB2 SER 2 2HB SER 2 34.921 -4.859 -17.625 16 HB3 SER 2 1HB SER 2 34.695 -5.393 -19.284 17 H GLU 3 H GLU 3 32.000 -3.231 -16.960 18 HA GLU 3 HA GLU 3 29.975 -3.944 -16.217 19 HB2 GLU 3 2HB GLU 3 29.340 -4.488 -18.578 20 HB3 GLU 3 1HB GLU 3 30.011 -6.096 -18.341 21 HG2 GLU 3 2HG GLU 3 27.602 -6.106 -18.078 22 HG3 GLU 3 1HG GLU 3 28.401 -6.504 -16.556 23 H GLY 4 H GLY 4 29.849 -5.005 -14.379 24 HA2 GLY 4 2HA GLY 4 31.855 -7.138 -13.984 25 HA3 GLY 4 1HA GLY 4 31.558 -5.869 -12.810 26 H ALA 5 H ALA 5 31.272 -8.947 -13.038 27 HA ALA 5 HA ALA 5 28.550 -9.490 -12.439 28 HB1 ALA 5 1HB ALA 5 31.016 -11.093 -11.767 29 HB2 ALA 5 2HB ALA 5 30.082 -11.214 -13.259 30 HB3 ALA 5 3HB ALA 5 29.354 -11.679 -11.722 31 H GLU 6 H GLU 6 31.253 -8.336 -10.624 32 HA GLU 6 HA GLU 6 30.396 -8.999 -8.020 33 HB2 GLU 6 2HB GLU 6 31.995 -6.566 -8.826 34 HB3 GLU 6 1HB GLU 6 31.982 -7.354 -7.253 35 HG2 GLU 6 2HG GLU 6 32.987 -9.343 -8.266 36 HG3 GLU 6 1HG GLU 6 33.047 -8.507 -9.817 37 H GLU 7 H GLU 7 30.025 -6.050 -9.941 38 HA GLU 7 HA GLU 7 28.408 -4.637 -8.152 39 HB2 GLU 7 2HB GLU 7 28.726 -4.551 -11.147 40 HB3 GLU 7 1HB GLU 7 27.674 -3.455 -10.284 41 HG2 GLU 7 2HG GLU 7 29.792 -2.400 -10.753 42 HG3 GLU 7 1HG GLU 7 29.575 -2.603 -9.016 43 H LEU 8 H LEU 8 27.662 -6.895 -10.747 44 HA LEU 8 HA LEU 8 24.875 -6.697 -10.712 45 HG LEU 8 HG LEU 8 24.159 -7.729 -12.728 46 HB2 LEU 8 2HB LEU 8 26.627 -7.972 -12.252 47 HB3 LEU 8 1HB LEU 8 26.210 -9.317 -11.211 48 HD11 LEU 8 1HD1 LEU 8 25.731 -8.733 -14.306 49 HD12 LEU 8 2HD1 LEU 8 24.159 -9.531 -14.375 50 HD13 LEU 8 3HD1 LEU 8 25.504 -10.304 -13.535 51 HD21 LEU 8 1HD2 LEU 8 22.763 -9.706 -12.359 52 HD22 LEU 8 2HD2 LEU 8 23.298 -9.001 -10.833 53 HD23 LEU 8 3HD2 LEU 8 24.074 -10.461 -11.453 54 H LYS 9 H LYS 9 27.068 -8.876 -8.974 55 HA LYS 9 HA LYS 9 25.116 -10.354 -7.603 56 HB2 LYS 9 2HB LYS 9 27.620 -10.821 -7.887 57 HB3 LYS 9 1HB LYS 9 27.863 -9.729 -6.532 58 HG2 LYS 9 2HG LYS 9 27.876 -11.947 -5.687 59 HG3 LYS 9 1HG LYS 9 26.362 -11.196 -5.181 60 HD2 LYS 9 2HD LYS 9 25.139 -12.359 -6.871 61 HD3 LYS 9 1HD LYS 9 26.624 -12.951 -7.619 62 HE2 LYS 9 2HE LYS 9 27.104 -14.223 -5.545 63 HE3 LYS 9 1HE LYS 9 25.553 -13.693 -4.895 64 HZ1 LYS 9 1HZ LYS 9 24.425 -14.847 -6.665 65 HZ2 LYS 9 2HZ LYS 9 25.459 -15.930 -5.877 66 HZ3 LYS 9 3HZ LYS 9 25.893 -15.290 -7.385 67 H ALA 10 H ALA 10 26.907 -7.443 -6.649 68 HA ALA 10 HA ALA 10 25.791 -7.246 -4.046 69 HB1 ALA 10 1HB ALA 10 27.884 -6.140 -4.703 70 HB2 ALA 10 2HB ALA 10 26.727 -4.998 -4.018 71 HB3 ALA 10 3HB ALA 10 26.975 -5.064 -5.763 72 H LYS 11 H LYS 11 24.870 -5.964 -7.181 73 HA LYS 11 HA LYS 11 22.793 -4.260 -6.259 74 HB2 LYS 11 2HB LYS 11 24.035 -4.568 -8.628 75 HB3 LYS 11 1HB LYS 11 22.606 -5.535 -8.950 76 HG2 LYS 11 2HG LYS 11 22.553 -2.658 -8.065 77 HG3 LYS 11 1HG LYS 11 22.449 -3.193 -9.739 78 HD2 LYS 11 2HD LYS 11 20.450 -4.633 -8.817 79 HD3 LYS 11 1HD LYS 11 20.447 -3.417 -7.536 80 HE2 LYS 11 2HE LYS 11 20.171 -2.925 -10.501 81 HE3 LYS 11 1HE LYS 11 18.906 -2.765 -9.285 82 HZ1 LYS 11 1HZ LYS 11 21.390 -1.140 -9.321 83 HZ2 LYS 11 2HZ LYS 11 20.033 -0.916 -8.326 84 HZ3 LYS 11 3HZ LYS 11 19.917 -0.641 -9.992 85 H LEU 12 H LEU 12 22.778 -7.544 -7.634 86 HA LEU 12 HA LEU 12 20.028 -8.047 -7.324 87 HG LEU 12 HG LEU 12 20.290 -11.071 -6.497 88 HB2 LEU 12 2HB LEU 12 21.485 -9.425 -8.727 89 HB3 LEU 12 1HB LEU 12 22.358 -9.970 -7.309 90 HD11 LEU 12 1HD1 LEU 12 19.192 -10.320 -9.202 91 HD12 LEU 12 2HD1 LEU 12 18.665 -9.660 -7.653 92 HD13 LEU 12 3HD1 LEU 12 18.414 -11.368 -8.017 93 HD21 LEU 12 1HD2 LEU 12 21.185 -11.898 -9.256 94 HD22 LEU 12 2HD2 LEU 12 20.358 -12.924 -8.084 95 HD23 LEU 12 3HD2 LEU 12 21.981 -12.322 -7.740 96 H LYS 13 H LYS 13 22.785 -8.571 -5.184 97 HA LYS 13 HA LYS 13 21.491 -9.883 -3.088 98 HB2 LYS 13 2HB LYS 13 23.943 -9.546 -3.252 99 HB3 LYS 13 1HB LYS 13 23.718 -7.845 -2.894 100 HG2 LYS 13 2HG LYS 13 24.446 -8.981 -0.916 101 HG3 LYS 13 1HG LYS 13 22.777 -8.452 -0.703 102 HD2 LYS 13 2HD LYS 13 21.998 -10.716 -1.234 103 HD3 LYS 13 1HD LYS 13 23.671 -11.242 -1.431 104 HE2 LYS 13 2HE LYS 13 24.108 -10.624 0.920 105 HE3 LYS 13 1HE LYS 13 22.412 -10.188 1.102 106 HZ1 LYS 13 1HZ LYS 13 23.455 -12.894 0.461 107 HZ2 LYS 13 2HZ LYS 13 21.813 -12.487 0.588 108 HZ3 LYS 13 3HZ LYS 13 22.820 -12.393 1.950 109 H LYS 14 H LYS 14 22.032 -6.409 -3.574 110 HA LYS 14 HA LYS 14 20.680 -5.487 -1.329 111 HB2 LYS 14 2HB LYS 14 22.137 -4.090 -2.786 112 HB3 LYS 14 1HB LYS 14 20.878 -4.113 -4.014 113 HG2 LYS 14 2HG LYS 14 20.903 -2.046 -2.643 114 HG3 LYS 14 1HG LYS 14 19.368 -2.919 -2.594 115 HD2 LYS 14 2HD LYS 14 19.679 -2.473 -0.364 116 HD3 LYS 14 1HD LYS 14 20.433 -4.056 -0.489 117 HE2 LYS 14 2HE LYS 14 21.871 -2.645 0.795 118 HE3 LYS 14 1HE LYS 14 22.623 -2.920 -0.776 119 HZ1 LYS 14 1HZ LYS 14 21.934 -0.764 -1.502 120 HZ2 LYS 14 2HZ LYS 14 22.734 -0.588 -0.017 121 HZ3 LYS 14 3HZ LYS 14 21.039 -0.509 -0.084 122 H LEU 15 H LEU 15 19.450 -6.047 -4.621 123 HA LEU 15 HA LEU 15 16.833 -5.156 -4.138 124 HG LEU 15 HG LEU 15 18.686 -4.885 -6.555 125 HB2 LEU 15 2HB LEU 15 17.895 -7.167 -6.113 126 HB3 LEU 15 1HB LEU 15 16.238 -6.597 -6.111 127 HD11 LEU 15 1HD1 LEU 15 16.524 -5.805 -8.444 128 HD12 LEU 15 2HD1 LEU 15 18.198 -6.356 -8.435 129 HD13 LEU 15 3HD1 LEU 15 17.823 -4.679 -8.835 130 HD21 LEU 15 1HD2 LEU 15 15.751 -4.193 -6.613 131 HD22 LEU 15 2HD2 LEU 15 17.068 -3.119 -7.090 132 HD23 LEU 15 3HD2 LEU 15 16.926 -3.653 -5.414 133 H ASN 16 H ASN 16 18.242 -8.405 -3.942 134 HA ASN 16 HA ASN 16 15.902 -9.793 -3.264 135 HB2 ASN 16 2HB ASN 16 18.178 -10.742 -3.939 136 HB3 ASN 16 1HB ASN 16 18.676 -10.477 -2.273 137 HD21 ASN 16 1HD2 ASN 16 18.481 -12.949 -3.758 138 HD22 ASN 16 2HD2 ASN 16 17.394 -13.962 -2.878 139 H ALA 17 H ALA 17 18.408 -8.333 -1.220 140 HA ALA 17 HA ALA 17 17.255 -9.044 1.255 141 HB1 ALA 17 1HB ALA 17 19.117 -6.761 0.611 142 HB2 ALA 17 2HB ALA 17 19.596 -8.403 1.044 143 HB3 ALA 17 3HB ALA 17 18.769 -7.385 2.223 144 H GLN 18 H GLN 18 17.064 -6.056 -0.672 145 HA GLN 18 HA GLN 18 15.493 -4.589 1.142 146 HB2 GLN 18 2HB GLN 18 16.714 -3.595 -0.777 147 HB3 GLN 18 1HB GLN 18 15.567 -4.350 -1.874 148 HG2 GLN 18 2HG GLN 18 13.757 -3.043 -0.876 149 HG3 GLN 18 1HG GLN 18 14.922 -2.275 0.203 150 HE21 GLN 18 1HE2 GLN 18 13.774 -2.513 -3.065 151 HE22 GLN 18 2HE2 GLN 18 14.554 -1.089 -3.651 152 H ALA 19 H ALA 19 14.588 -6.626 -1.627 153 HA ALA 19 HA ALA 19 11.819 -6.217 -1.497 154 HB1 ALA 19 1HB ALA 19 12.939 -7.266 -3.410 155 HB2 ALA 19 2HB ALA 19 11.617 -8.264 -2.801 156 HB3 ALA 19 3HB ALA 19 13.287 -8.685 -2.423 157 H THR 20 H THR 20 13.910 -8.500 0.186 158 HA THR 20 HA THR 20 11.790 -9.942 1.432 159 HB THR 20 HB THR 20 14.678 -9.732 2.317 160 HG1 THR 20 1HG THR 20 14.732 -10.503 0.239 161 HG21 THR 20 1HG2 THR 20 12.560 -11.830 2.819 162 HG22 THR 20 2HG2 THR 20 13.241 -10.722 4.011 163 HG23 THR 20 3HG2 THR 20 14.256 -11.966 3.281 164 H ALA 21 H ALA 21 13.852 -7.227 2.408 165 HA ALA 21 HA ALA 21 12.998 -7.075 5.089 166 HB1 ALA 21 1HB ALA 21 13.916 -4.824 5.080 167 HB2 ALA 21 2HB ALA 21 13.987 -4.839 3.318 168 HB3 ALA 21 3HB ALA 21 15.008 -5.934 4.252 169 H LEU 22 H LEU 22 11.858 -5.437 2.162 170 HA LEU 22 HA LEU 22 9.813 -3.970 3.465 171 HG LEU 22 HG LEU 22 11.935 -3.268 1.406 172 HB2 LEU 22 2HB LEU 22 10.130 -4.765 0.570 173 HB3 LEU 22 1HB LEU 22 8.947 -3.614 1.163 174 HD11 LEU 22 1HD1 LEU 22 9.974 -2.034 -0.517 175 HD12 LEU 22 2HD1 LEU 22 11.274 -3.157 -0.915 176 HD13 LEU 22 3HD1 LEU 22 11.656 -1.542 -0.319 177 HD21 LEU 22 1HD2 LEU 22 10.710 -2.126 3.164 178 HD22 LEU 22 2HD2 LEU 22 9.644 -1.389 1.968 179 HD23 LEU 22 3HD2 LEU 22 11.353 -0.958 2.007 180 H LYS 23 H LYS 23 9.988 -7.156 2.043 181 HA LYS 23 HA LYS 23 7.239 -7.737 1.940 182 HB2 LYS 23 2HB LYS 23 8.847 -9.113 0.771 183 HB3 LYS 23 1HB LYS 23 9.643 -9.538 2.277 184 HG2 LYS 23 2HG LYS 23 6.796 -10.235 2.149 185 HG3 LYS 23 1HG LYS 23 7.829 -11.082 0.996 186 HD2 LYS 23 2HD LYS 23 9.308 -11.747 2.853 187 HD3 LYS 23 1HD LYS 23 8.217 -10.949 3.986 188 HE2 LYS 23 2HE LYS 23 6.433 -12.469 3.394 189 HE3 LYS 23 1HE LYS 23 7.439 -13.212 2.151 190 HZ1 LYS 23 1HZ LYS 23 8.022 -13.238 5.065 191 HZ2 LYS 23 2HZ LYS 23 8.934 -14.003 3.857 192 HZ3 LYS 23 3HZ LYS 23 7.356 -14.534 4.192 193 H MET 24 H MET 24 9.656 -8.402 4.490 194 HA MET 24 HA MET 24 7.714 -9.522 6.250 195 HB2 MET 24 2HB MET 24 9.457 -9.473 7.955 196 HB3 MET 24 1HB MET 24 10.084 -10.111 6.443 197 HG2 MET 24 2HG MET 24 11.094 -7.919 5.968 198 HG3 MET 24 1HG MET 24 10.509 -7.338 7.526 199 HE1 MET 24 1HE MET 24 14.387 -7.689 8.053 200 HE2 MET 24 2HE MET 24 13.007 -6.600 8.189 201 HE3 MET 24 3HE MET 24 13.535 -7.161 6.603 202 H ASP 25 H ASP 25 8.836 -6.294 5.626 203 HA ASP 25 HA ASP 25 7.806 -5.128 8.026 204 HB2 ASP 25 2HB ASP 25 9.574 -4.162 6.380 205 HB3 ASP 25 1HB ASP 25 8.181 -3.609 5.454 206 H LEU 26 H LEU 26 6.614 -5.519 4.719 207 HA LEU 26 HA LEU 26 4.180 -4.146 5.044 208 HG LEU 26 HG LEU 26 2.387 -6.015 3.281 209 HB2 LEU 26 2HB LEU 26 5.109 -4.775 2.856 210 HB3 LEU 26 1HB LEU 26 4.819 -6.465 3.216 211 HD11 LEU 26 1HD1 LEU 26 1.541 -3.883 2.425 212 HD12 LEU 26 2HD1 LEU 26 3.188 -3.253 2.372 213 HD13 LEU 26 3HD1 LEU 26 2.451 -3.665 3.921 214 HD21 LEU 26 1HD2 LEU 26 3.416 -6.814 1.231 215 HD22 LEU 26 2HD2 LEU 26 3.796 -5.159 0.756 216 HD23 LEU 26 3HD2 LEU 26 2.114 -5.682 0.863 217 H HIS 27 H HIS 27 5.102 -7.491 5.676 218 HA HIS 27 HA HIS 27 2.503 -8.407 6.328 219 HD1 HIS 27 1HD HIS 27 4.674 -10.906 9.285 220 HD2 HIS 27 2HD HIS 27 1.723 -11.168 6.366 221 HE1 HIS 27 1HE HIS 27 3.115 -12.726 10.055 222 HE2 HIS 27 2HE HIS 27 1.418 -12.958 8.212 223 HB2 HIS 27 2HB HIS 27 4.401 -9.931 5.837 224 HB3 HIS 27 1HB HIS 27 5.160 -9.443 7.350 225 H ASP 28 H ASP 28 5.154 -7.084 8.264 226 HA ASP 28 HA ASP 28 3.901 -7.140 10.777 227 HB2 ASP 28 2HB ASP 28 6.218 -6.698 10.767 228 HB3 ASP 28 1HB ASP 28 6.059 -5.416 9.573 229 H LEU 29 H LEU 29 3.854 -4.768 8.182 230 HA LEU 29 HA LEU 29 2.370 -2.755 9.418 231 HG LEU 29 HG LEU 29 0.494 -2.200 6.934 232 HB2 LEU 29 2HB LEU 29 3.478 -2.392 7.318 233 HB3 LEU 29 1HB LEU 29 2.514 -3.630 6.539 234 HD11 LEU 29 1HD1 LEU 29 0.889 0.178 7.417 235 HD12 LEU 29 2HD1 LEU 29 2.587 -0.183 7.733 236 HD13 LEU 29 3HD1 LEU 29 1.331 -0.860 8.770 237 HD21 LEU 29 1HD2 LEU 29 1.742 -2.293 4.791 238 HD22 LEU 29 2HD2 LEU 29 2.683 -0.898 5.320 239 HD23 LEU 29 3HD2 LEU 29 0.943 -0.749 5.075 240 H ALA 30 H ALA 30 1.276 -5.582 7.567 241 HA ALA 30 HA ALA 30 -1.486 -5.009 7.684 242 HB1 ALA 30 1HB ALA 30 -1.819 -7.349 7.081 243 HB2 ALA 30 2HB ALA 30 -0.128 -7.693 7.447 244 HB3 ALA 30 3HB ALA 30 -0.543 -6.620 6.109 245 H GLU 31 H GLU 31 0.703 -6.581 9.898 246 HA GLU 31 HA GLU 31 -1.325 -7.514 11.686 247 HB2 GLU 31 2HB GLU 31 1.661 -7.166 12.008 248 HB3 GLU 31 1HB GLU 31 0.622 -7.942 13.184 249 HG2 GLU 31 2HG GLU 31 0.060 -9.671 11.578 250 HG3 GLU 31 1HG GLU 31 1.057 -8.873 10.363 251 H ASP 32 H ASP 32 0.306 -4.542 11.126 252 HA ASP 32 HA ASP 32 -0.479 -3.510 13.772 253 HB2 ASP 32 2HB ASP 32 2.008 -3.548 12.942 254 HB3 ASP 32 1HB ASP 32 1.518 -2.140 12.004 255 H LEU 33 H LEU 33 -2.326 -3.713 11.644 256 HA LEU 33 HA LEU 33 -2.737 -1.280 10.313 257 HG LEU 33 HG LEU 33 -3.263 -3.543 8.837 258 HB2 LEU 33 2HB LEU 33 -4.402 -3.628 11.006 259 HB3 LEU 33 1HB LEU 33 -5.263 -2.148 10.619 260 HD11 LEU 33 1HD1 LEU 33 -5.194 -3.967 7.396 261 HD12 LEU 33 2HD1 LEU 33 -6.254 -3.239 8.601 262 HD13 LEU 33 3HD1 LEU 33 -5.385 -4.727 8.977 263 HD21 LEU 33 1HD2 LEU 33 -3.876 -1.861 7.170 264 HD22 LEU 33 2HD2 LEU 33 -3.169 -1.104 8.602 265 HD23 LEU 33 3HD2 LEU 33 -4.912 -1.059 8.353 266 HA PRO 34 HA PRO 34 -4.348 2.234 11.607 267 HB2 PRO 34 2HB PRO 34 -6.136 0.991 13.680 268 HB3 PRO 34 1HB PRO 34 -6.307 2.555 12.860 269 HG2 PRO 34 2HG PRO 34 -7.397 0.144 11.954 270 HG3 PRO 34 1HG PRO 34 -7.145 1.591 10.962 271 HD2 PRO 34 2HD PRO 34 -5.870 -0.895 10.590 272 HD3 PRO 34 1HD PRO 34 -5.329 0.654 9.899 273 H THR 35 H THR 35 -3.269 3.575 12.793 274 HA THR 35 HA THR 35 -1.758 4.353 14.366 275 HB THR 35 HB THR 35 -1.462 1.499 15.349 276 HG1 THR 35 1HG THR 35 -3.506 2.545 15.840 277 HG21 THR 35 1HG2 THR 35 -0.238 2.481 17.222 278 HG22 THR 35 2HG2 THR 35 -0.411 4.085 16.513 279 HG23 THR 35 3HG2 THR 35 0.564 2.862 15.697 280 H GLY 36 H GLY 36 -1.470 1.763 12.152 281 HA2 GLY 36 2HA GLY 36 1.214 2.786 11.466 282 HA3 GLY 36 1HA GLY 36 0.780 1.091 11.284 283 H TRP 37 H TRP 37 -1.753 3.216 10.594 284 HA TRP 37 HA TRP 37 -2.030 2.200 7.989 285 HD1 TRP 37 HD TRP 37 -3.247 4.267 11.562 286 HE1 TRP 37 1HE TRP 37 -3.576 6.767 12.104 287 HE3 TRP 37 3HE TRP 37 -4.030 6.019 6.821 288 HZ2 TRP 37 2HZ TRP 37 -4.091 9.157 10.697 289 HZ3 TRP 37 3HZ TRP 37 -4.434 8.425 6.510 290 HH2 TRP 37 HH TRP 37 -4.464 9.957 8.407 291 HB2 TRP 37 2HB TRP 37 -3.938 3.742 7.799 292 HB3 TRP 37 1HB TRP 37 -3.960 2.842 9.308 293 H ASN 38 H ASN 38 -0.469 5.132 9.131 294 HA ASN 38 HA ASN 38 -0.499 6.330 6.507 295 HB2 ASN 38 2HB ASN 38 -0.469 7.726 8.541 296 HB3 ASN 38 1HB ASN 38 1.132 7.104 8.935 297 HD21 ASN 38 1HD2 ASN 38 2.902 7.923 7.892 298 HD22 ASN 38 2HD2 ASN 38 2.827 9.237 6.774 299 H ARG 39 H ARG 39 1.397 4.034 8.139 300 HA ARG 39 HA ARG 39 3.860 4.440 6.726 301 HE ARG 39 HE ARG 39 4.402 1.259 10.080 302 HB2 ARG 39 2HB ARG 39 3.603 3.241 8.953 303 HB3 ARG 39 1HB ARG 39 2.911 1.897 8.057 304 HG2 ARG 39 2HG ARG 39 5.205 2.254 6.689 305 HG3 ARG 39 1HG ARG 39 5.707 2.770 8.300 306 HD2 ARG 39 2HD ARG 39 4.440 0.134 7.565 307 HD3 ARG 39 1HD ARG 39 6.129 0.397 7.986 308 HH11 ARG 39 1HH1 ARG 39 5.836 -1.601 8.609 309 HH12 ARG 39 2HH1 ARG 39 5.659 -2.572 10.047 310 HH21 ARG 39 1HH2 ARG 39 4.192 -0.041 11.970 311 HH22 ARG 39 2HH2 ARG 39 4.736 -1.692 11.932 312 H ILE 40 H ILE 40 0.849 3.076 5.995 313 HA ILE 40 HA ILE 40 1.451 0.856 4.453 314 HB ILE 40 HB ILE 40 -0.867 2.768 4.196 315 HG12 ILE 40 2HG1 ILE 40 -0.628 0.073 5.552 316 HG13 ILE 40 1HG1 ILE 40 -0.643 1.629 6.378 317 HG21 ILE 40 1HG2 ILE 40 -0.511 0.018 3.012 318 HG22 ILE 40 2HG2 ILE 40 -0.624 1.537 2.122 319 HG23 ILE 40 3HG2 ILE 40 -2.019 0.933 3.019 320 HD11 ILE 40 1HD1 ILE 40 -2.920 2.020 5.539 321 HD12 ILE 40 2HD1 ILE 40 -2.802 0.571 6.535 322 HD13 ILE 40 3HD1 ILE 40 -2.896 0.427 4.780 323 H MET 41 H MET 41 1.054 4.227 3.345 324 HA MET 41 HA MET 41 1.269 3.649 0.608 325 HB2 MET 41 2HB MET 41 1.716 6.159 2.189 326 HB3 MET 41 1HB MET 41 1.999 6.119 0.456 327 HG2 MET 41 2HG MET 41 -0.610 5.196 1.571 328 HG3 MET 41 1HG MET 41 -0.282 6.915 1.384 329 HE1 MET 41 1HE MET 41 -0.720 3.875 -2.069 330 HE2 MET 41 2HE MET 41 -0.836 3.491 -0.350 331 HE3 MET 41 3HE MET 41 0.736 3.831 -1.079 332 H GLU 42 H GLU 42 3.749 4.528 2.966 333 HA GLU 42 HA GLU 42 5.866 4.834 1.143 334 HB2 GLU 42 2HB GLU 42 5.896 5.584 3.524 335 HB3 GLU 42 1HB GLU 42 6.038 3.906 4.013 336 HG2 GLU 42 2HG GLU 42 8.161 3.730 2.826 337 HG3 GLU 42 1HG GLU 42 8.025 5.420 2.341 338 H VAL 43 H VAL 43 5.052 2.090 3.229 339 HA VAL 43 HA VAL 43 7.008 0.339 2.260 340 HB VAL 43 HB VAL 43 4.299 -0.382 3.392 341 HG11 VAL 43 1HG1 VAL 43 6.827 -2.016 3.198 342 HG12 VAL 43 2HG1 VAL 43 5.372 -2.255 2.232 343 HG13 VAL 43 3HG1 VAL 43 5.328 -2.519 3.976 344 HG21 VAL 43 1HG2 VAL 43 5.492 -0.604 5.530 345 HG22 VAL 43 2HG2 VAL 43 5.558 1.047 4.908 346 HG23 VAL 43 3HG2 VAL 43 6.962 -0.010 4.758 347 H ALA 44 H ALA 44 3.605 0.717 1.295 348 HA ALA 44 HA ALA 44 3.518 -1.362 -0.565 349 HB1 ALA 44 1HB ALA 44 1.557 -0.272 -1.478 350 HB2 ALA 44 2HB ALA 44 1.980 1.226 -0.651 351 HB3 ALA 44 3HB ALA 44 1.534 -0.203 0.283 352 H GLU 45 H GLU 45 4.402 2.055 -1.045 353 HA GLU 45 HA GLU 45 4.665 1.859 -3.859 354 HB2 GLU 45 2HB GLU 45 4.417 3.990 -2.556 355 HB3 GLU 45 1HB GLU 45 6.080 3.799 -2.023 356 HG2 GLU 45 2HG GLU 45 5.911 3.598 -4.884 357 HG3 GLU 45 1HG GLU 45 5.161 5.089 -4.320 358 H LYS 46 H LYS 46 7.081 1.831 -1.257 359 HA LYS 46 HA LYS 46 9.311 1.463 -2.936 360 HB2 LYS 46 2HB LYS 46 8.777 1.564 -0.098 361 HB3 LYS 46 1HB LYS 46 9.941 0.299 -0.462 362 HG2 LYS 46 2HG LYS 46 11.080 2.364 0.048 363 HG3 LYS 46 1HG LYS 46 11.338 1.930 -1.640 364 HD2 LYS 46 2HD LYS 46 10.911 4.285 -1.516 365 HD3 LYS 46 1HD LYS 46 9.517 3.505 -2.262 366 HE2 LYS 46 2HE LYS 46 8.283 3.629 -0.189 367 HE3 LYS 46 1HE LYS 46 9.695 4.265 0.652 368 HZ1 LYS 46 1HZ LYS 46 8.089 6.004 0.054 369 HZ2 LYS 46 2HZ LYS 46 8.295 5.634 -1.590 370 HZ3 LYS 46 3HZ LYS 46 9.597 6.246 -0.686 371 H THR 47 H THR 47 7.219 -0.880 -1.283 372 HA THR 47 HA THR 47 8.834 -3.140 -1.831 373 HB THR 47 HB THR 47 5.852 -3.081 -1.329 374 HG1 THR 47 1HG THR 47 6.794 -2.164 0.437 375 HG21 THR 47 1HG2 THR 47 6.640 -5.219 -2.213 376 HG22 THR 47 2HG2 THR 47 6.188 -5.372 -0.516 377 HG23 THR 47 3HG2 THR 47 7.891 -5.280 -0.970 378 H TYR 48 H TYR 48 5.970 -1.803 -3.484 379 HA TYR 48 HA TYR 48 5.842 -3.788 -5.477 380 HD1 TYR 48 2HD TYR 48 4.064 -4.328 -6.864 381 HD2 TYR 48 1HD TYR 48 4.275 -0.159 -7.679 382 HE1 TYR 48 2HE TYR 48 3.243 -4.736 -9.144 383 HE2 TYR 48 1HE TYR 48 3.451 -0.556 -9.961 384 HH TYR 48 HH TYR 48 2.130 -3.566 -10.930 385 HB2 TYR 48 2HB TYR 48 3.974 -2.263 -5.014 386 HB3 TYR 48 1HB TYR 48 4.927 -0.907 -5.607 387 H GLU 49 H GLU 49 7.436 -0.632 -5.371 388 HA GLU 49 HA GLU 49 8.509 -0.673 -7.964 389 HB2 GLU 49 2HB GLU 49 9.283 0.734 -5.421 390 HB3 GLU 49 1HB GLU 49 10.179 0.959 -6.909 391 HG2 GLU 49 2HG GLU 49 7.230 1.465 -6.625 392 HG3 GLU 49 1HG GLU 49 8.472 2.706 -6.463 393 H ALA 50 H ALA 50 9.682 -1.954 -4.901 394 HA ALA 50 HA ALA 50 12.285 -2.631 -5.735 395 HB1 ALA 50 1HB ALA 50 12.342 -4.105 -3.800 396 HB2 ALA 50 2HB ALA 50 10.591 -3.971 -3.631 397 HB3 ALA 50 3HB ALA 50 11.613 -2.556 -3.381 398 H TYR 51 H TYR 51 9.264 -4.514 -5.692 399 HA TYR 51 HA TYR 51 10.374 -6.883 -6.729 400 HD1 TYR 51 1HD TYR 51 10.103 -7.976 -5.238 401 HD2 TYR 51 2HD TYR 51 6.094 -6.578 -5.039 402 HE1 TYR 51 1HE TYR 51 9.884 -8.946 -2.991 403 HE2 TYR 51 2HE TYR 51 5.864 -7.541 -2.789 404 HH TYR 51 HH TYR 51 8.491 -8.570 -0.956 405 HB2 TYR 51 2HB TYR 51 7.556 -5.801 -6.770 406 HB3 TYR 51 1HB TYR 51 7.983 -7.388 -7.394 407 H ARG 52 H ARG 52 8.926 -4.056 -8.305 408 HA ARG 52 HA ARG 52 9.063 -5.114 -10.925 409 HE ARG 52 HE ARG 52 9.049 -0.307 -13.896 410 HB2 ARG 52 2HB ARG 52 7.645 -3.219 -10.525 411 HB3 ARG 52 1HB ARG 52 9.003 -2.254 -9.953 412 HG2 ARG 52 2HG ARG 52 9.955 -2.161 -12.127 413 HG3 ARG 52 1HG ARG 52 8.811 -3.349 -12.745 414 HD2 ARG 52 2HD ARG 52 6.982 -1.780 -12.408 415 HD3 ARG 52 1HD ARG 52 8.111 -0.593 -11.750 416 HH11 ARG 52 1HH1 ARG 52 6.211 -2.372 -13.873 417 HH12 ARG 52 2HH1 ARG 52 6.069 -2.404 -15.606 418 HH21 ARG 52 1HH2 ARG 52 8.806 -0.310 -16.177 419 HH22 ARG 52 2HH2 ARG 52 7.513 -1.218 -16.897 420 H GLN 53 H GLN 53 11.272 -3.010 -9.112 421 HA GLN 53 HA GLN 53 13.217 -2.714 -11.116 422 HB2 GLN 53 2HB GLN 53 12.884 -1.686 -8.647 423 HB3 GLN 53 1HB GLN 53 14.128 -2.872 -8.294 424 HG2 GLN 53 2HG GLN 53 14.371 -0.764 -10.427 425 HG3 GLN 53 1HG GLN 53 14.962 -0.575 -8.780 426 HE21 GLN 53 1HE2 GLN 53 15.510 -2.007 -11.874 427 HE22 GLN 53 2HE2 GLN 53 17.064 -2.670 -11.519 428 H LEU 54 H LEU 54 12.707 -5.235 -8.703 429 HA LEU 54 HA LEU 54 15.071 -6.684 -9.081 430 HG LEU 54 HG LEU 54 13.843 -9.583 -8.934 431 HB2 LEU 54 2HB LEU 54 13.455 -7.093 -7.268 432 HB3 LEU 54 1HB LEU 54 12.309 -7.720 -8.433 433 HD11 LEU 54 1HD1 LEU 54 15.954 -8.486 -8.423 434 HD12 LEU 54 2HD1 LEU 54 15.782 -9.976 -7.496 435 HD13 LEU 54 3HD1 LEU 54 15.518 -8.416 -6.716 436 HD21 LEU 54 1HD2 LEU 54 12.107 -9.863 -7.249 437 HD22 LEU 54 2HD2 LEU 54 13.200 -9.254 -6.006 438 HD23 LEU 54 3HD2 LEU 54 13.554 -10.778 -6.821 439 H ASP 55 H ASP 55 11.933 -6.961 -10.722 440 HA ASP 55 HA ASP 55 12.762 -8.978 -12.542 441 HB2 ASP 55 2HB ASP 55 10.402 -8.616 -12.084 442 HB3 ASP 55 1HB ASP 55 10.498 -6.976 -12.717 443 H GLU 56 H GLU 56 12.514 -5.453 -12.786 444 HA GLU 56 HA GLU 56 13.272 -5.043 -15.392 445 HB2 GLU 56 2HB GLU 56 12.472 -3.454 -13.531 446 HB3 GLU 56 1HB GLU 56 14.164 -3.341 -13.080 447 HG2 GLU 56 2HG GLU 56 13.413 -2.823 -15.889 448 HG3 GLU 56 1HG GLU 56 13.023 -1.623 -14.665 449 H PHE 57 H PHE 57 15.359 -5.269 -12.517 450 HA PHE 57 HA PHE 57 17.782 -4.987 -13.945 451 HD1 PHE 57 2HD PHE 57 19.750 -4.026 -12.934 452 HD2 PHE 57 1HD PHE 57 19.163 -7.548 -10.621 453 HE1 PHE 57 2HE PHE 57 22.183 -4.321 -12.778 454 HE2 PHE 57 1HE PHE 57 21.602 -7.854 -10.466 455 HZ PHE 57 HZ PHE 57 23.113 -6.235 -11.547 456 HB2 PHE 57 2HB PHE 57 17.562 -4.609 -11.500 457 HB3 PHE 57 1HB PHE 57 17.335 -6.340 -11.275 458 H ARG 58 H ARG 58 15.802 -7.771 -13.091 459 HA ARG 58 HA ARG 58 17.666 -9.739 -13.898 460 HE ARG 58 HE ARG 58 17.150 -11.648 -14.898 461 HB2 ARG 58 2HB ARG 58 14.860 -9.663 -13.094 462 HB3 ARG 58 1HB ARG 58 15.182 -10.878 -14.325 463 HG2 ARG 58 2HG ARG 58 17.033 -10.728 -12.013 464 HG3 ARG 58 1HG ARG 58 15.420 -11.385 -11.742 465 HD2 ARG 58 2HD ARG 58 17.265 -13.040 -12.339 466 HD3 ARG 58 1HD ARG 58 15.762 -13.153 -13.249 467 HH11 ARG 58 1HH1 ARG 58 18.323 -14.386 -13.040 468 HH12 ARG 58 2HH1 ARG 58 19.427 -14.902 -14.281 469 HH21 ARG 58 1HH2 ARG 58 18.613 -12.347 -16.516 470 HH22 ARG 58 2HH2 ARG 58 19.602 -13.756 -16.232 471 H LYS 59 H LYS 59 15.239 -7.880 -15.640 472 HA LYS 59 HA LYS 59 15.529 -9.266 -18.110 473 HB2 LYS 59 2HB LYS 59 14.637 -6.430 -17.550 474 HB3 LYS 59 1HB LYS 59 14.497 -7.233 -19.106 475 HG2 LYS 59 2HG LYS 59 13.123 -8.035 -16.552 476 HG3 LYS 59 1HG LYS 59 12.378 -7.260 -17.952 477 HD2 LYS 59 2HD LYS 59 12.996 -9.221 -19.318 478 HD3 LYS 59 1HD LYS 59 13.641 -9.999 -17.872 479 HE2 LYS 59 2HE LYS 59 11.431 -9.922 -16.838 480 HE3 LYS 59 1HE LYS 59 10.781 -9.122 -18.270 481 HZ1 LYS 59 1HZ LYS 59 10.271 -11.438 -18.373 482 HZ2 LYS 59 2HZ LYS 59 11.889 -11.873 -18.119 483 HZ3 LYS 59 3HZ LYS 59 11.434 -11.104 -19.562 484 H SER 60 H SER 60 17.001 -6.361 -16.744 485 HA SER 60 HA SER 60 18.703 -5.740 -18.876 486 HG SER 60 HG SER 60 19.930 -3.451 -17.849 487 HB2 SER 60 2HB SER 60 18.238 -4.287 -16.886 488 HB3 SER 60 1HB SER 60 19.274 -5.344 -15.929 489 H THR 61 H THR 61 19.210 -7.785 -16.047 490 HA THR 61 HA THR 61 21.832 -8.618 -16.627 491 HB THR 61 HB THR 61 19.683 -10.160 -15.147 492 HG1 THR 61 1HG THR 61 20.058 -8.069 -14.259 493 HG21 THR 61 1HG2 THR 61 21.634 -11.532 -15.743 494 HG22 THR 61 2HG2 THR 61 21.554 -11.247 -14.004 495 HG23 THR 61 3HG2 THR 61 22.697 -10.340 -14.993 496 H ALA 62 H ALA 62 18.689 -9.860 -17.671 497 HA ALA 62 HA ALA 62 19.563 -12.248 -18.854 498 HB1 ALA 62 1HB ALA 62 17.202 -11.718 -18.459 499 HB2 ALA 62 2HB ALA 62 17.495 -12.182 -20.134 500 HB3 ALA 62 3HB ALA 62 17.273 -10.483 -19.716 501 H SER 63 H SER 63 19.477 -8.941 -20.040 502 HA SER 63 HA SER 63 20.117 -9.466 -22.728 503 HG SER 63 HG SER 63 18.469 -7.987 -21.537 504 HB2 SER 63 2HB SER 63 20.866 -7.013 -21.123 505 HB3 SER 63 1HB SER 63 20.681 -7.121 -22.873 506 H LEU 64 H LEU 64 22.035 -9.479 -19.856 507 HA LEU 64 HA LEU 64 24.534 -9.519 -21.377 508 HG LEU 64 HG LEU 64 25.542 -7.341 -18.591 509 HB2 LEU 64 2HB LEU 64 23.817 -9.119 -18.509 510 HB3 LEU 64 1HB LEU 64 25.416 -9.717 -18.889 511 HD11 LEU 64 1HD1 LEU 64 26.954 -8.249 -20.333 512 HD12 LEU 64 2HD1 LEU 64 26.419 -6.622 -20.758 513 HD13 LEU 64 3HD1 LEU 64 25.671 -8.026 -21.520 514 HD21 LEU 64 1HD2 LEU 64 24.270 -5.770 -19.973 515 HD22 LEU 64 2HD2 LEU 64 23.216 -6.762 -18.965 516 HD23 LEU 64 3HD2 LEU 64 23.384 -7.121 -20.684 517 H GLU 65 H GLU 65 22.562 -11.491 -19.273 518 HA GLU 65 HA GLU 65 24.448 -13.563 -18.882 519 HB2 GLU 65 2HB GLU 65 22.568 -13.032 -17.362 520 HB3 GLU 65 1HB GLU 65 21.452 -13.633 -18.568 521 HG2 GLU 65 2HG GLU 65 22.251 -15.850 -18.341 522 HG3 GLU 65 1HG GLU 65 23.610 -15.328 -17.348 523 H HIS 66 H HIS 66 22.403 -12.836 -21.445 524 HA HIS 66 HA HIS 66 21.815 -15.368 -22.474 525 HD1 HIS 66 1HD HIS 66 22.755 -11.050 -23.579 526 HD2 HIS 66 2HD HIS 66 22.939 -14.031 -26.468 527 HE1 HIS 66 1HE HIS 66 24.152 -10.107 -25.435 528 HE2 HIS 66 2HE HIS 66 23.962 -11.800 -27.285 529 HB2 HIS 66 2HB HIS 66 21.108 -14.320 -24.408 530 HB3 HIS 66 1HB HIS 66 21.026 -12.995 -23.260 531 H HIS 67 H HIS 67 24.751 -13.577 -22.412 532 HA HIS 67 HA HIS 67 26.890 -14.031 -22.985 533 HD1 HIS 67 1HD HIS 67 27.826 -18.355 -23.658 534 HD2 HIS 67 2HD HIS 67 29.230 -14.935 -21.748 535 HE1 HIS 67 1HE HIS 67 30.333 -18.566 -23.637 536 HE2 HIS 67 2HE HIS 67 31.168 -16.409 -22.632 537 HB2 HIS 67 2HB HIS 67 26.390 -15.947 -21.473 538 HB3 HIS 67 1HB HIS 67 25.977 -16.916 -22.883 539 H HIS 68 H HIS 68 27.052 -13.159 -25.019 540 HA HIS 68 HA HIS 68 26.230 -14.665 -27.342 541 HD1 HIS 68 1HD HIS 68 28.862 -11.682 -29.439 542 HD2 HIS 68 2HD HIS 68 25.209 -13.657 -29.716 543 HE1 HIS 68 1HE HIS 68 28.382 -11.884 -31.901 544 HE2 HIS 68 2HE HIS 68 26.098 -12.937 -32.042 545 HB2 HIS 68 2HB HIS 68 26.154 -12.156 -27.223 546 HB3 HIS 68 1HB HIS 68 27.912 -12.151 -27.216 547 H HIS 69 H HIS 69 29.379 -13.222 -26.540 548 HA HIS 69 HA HIS 69 30.748 -15.734 -26.650 549 HD1 HIS 69 1HD HIS 69 30.172 -15.270 -31.025 550 HD2 HIS 69 2HD HIS 69 31.514 -17.651 -27.887 551 HE1 HIS 69 1HE HIS 69 29.819 -17.643 -31.774 552 HE2 HIS 69 2HE HIS 69 30.437 -19.054 -29.778 553 HB2 HIS 69 2HB HIS 69 30.796 -13.932 -29.016 554 HB3 HIS 69 1HB HIS 69 32.338 -14.606 -28.506 555 H HIS 70 H HIS 70 31.131 -12.224 -26.983 556 HA HIS 70 HA HIS 70 32.368 -10.698 -25.865 557 HD1 HIS 70 1HD HIS 70 33.909 -12.352 -21.676 558 HD2 HIS 70 2HD HIS 70 33.701 -9.123 -24.304 559 HE1 HIS 70 1HE HIS 70 35.431 -10.594 -20.722 560 HE2 HIS 70 2HE HIS 70 35.425 -8.724 -22.405 561 HB2 HIS 70 2HB HIS 70 31.522 -11.609 -23.785 562 HB3 HIS 70 1HB HIS 70 32.704 -12.912 -23.827 563 H HIS 71 H HIS 71 34.350 -13.406 -24.754 564 HA HIS 71 HA HIS 71 36.320 -13.364 -26.713 565 HD1 HIS 71 1HD HIS 71 38.376 -13.635 -27.091 566 HD2 HIS 71 2HD HIS 71 39.394 -9.990 -25.360 567 HE1 HIS 71 1HE HIS 71 40.732 -13.166 -27.825 568 HE2 HIS 71 2HE HIS 71 41.232 -10.851 -26.955 569 HB2 HIS 71 2HB HIS 71 36.498 -10.947 -25.886 570 HB3 HIS 71 1HB HIS 71 37.111 -11.618 -24.379 571 HA MET 1 HA MET 1 -23.942 24.149 2.200 572 H1 MET 1 1H MET 1 -25.365 26.050 2.187 573 H2 MET 1 2H MET 1 -23.796 26.525 1.758 574 H3 MET 1 3H MET 1 -24.387 26.855 3.313 575 HB2 MET 1 2HB MET 1 -22.342 25.742 4.218 576 HB3 MET 1 1HB MET 1 -22.083 24.042 3.853 577 HG2 MET 1 2HG MET 1 -21.813 26.295 1.877 578 HG3 MET 1 1HG MET 1 -20.480 25.526 2.734 579 HE1 MET 1 1HE MET 1 -20.112 24.258 -0.979 580 HE2 MET 1 2HE MET 1 -19.324 25.117 0.344 581 HE3 MET 1 3HE MET 1 -20.714 25.835 -0.471 582 H SER 2 H SER 2 -24.673 22.492 3.462 583 HA SER 2 HA SER 2 -25.743 23.141 6.108 584 HG SER 2 HG SER 2 -27.663 22.265 2.892 585 HB2 SER 2 2HB SER 2 -27.811 21.818 5.568 586 HB3 SER 2 1HB SER 2 -27.677 23.342 4.692 587 H GLU 3 H GLU 3 -25.707 21.476 7.552 588 HA GLU 3 HA GLU 3 -24.355 19.029 6.676 589 HB2 GLU 3 2HB GLU 3 -23.265 20.233 8.492 590 HB3 GLU 3 1HB GLU 3 -24.748 20.194 9.429 591 HG2 GLU 3 2HG GLU 3 -24.596 17.710 9.440 592 HG3 GLU 3 1HG GLU 3 -23.017 17.859 8.668 593 H GLY 4 H GLY 4 -25.611 17.418 6.292 594 HA2 GLY 4 2HA GLY 4 -28.231 17.264 7.624 595 HA3 GLY 4 1HA GLY 4 -27.858 16.544 6.062 596 H ALA 5 H ALA 5 -28.590 15.705 9.051 597 HA ALA 5 HA ALA 5 -26.544 13.916 9.822 598 HB1 ALA 5 1HB ALA 5 -28.205 14.749 11.401 599 HB2 ALA 5 2HB ALA 5 -28.200 12.986 11.362 600 HB3 ALA 5 3HB ALA 5 -29.474 13.882 10.534 601 H GLU 6 H GLU 6 -29.035 13.766 7.490 602 HA GLU 6 HA GLU 6 -29.240 10.935 7.276 603 HB2 GLU 6 2HB GLU 6 -29.745 12.777 4.962 604 HB3 GLU 6 1HB GLU 6 -30.607 11.318 5.424 605 HG2 GLU 6 2HG GLU 6 -30.770 14.014 6.753 606 HG3 GLU 6 1HG GLU 6 -32.013 13.219 5.790 607 H GLU 7 H GLU 7 -27.614 13.418 5.325 608 HA GLU 7 HA GLU 7 -26.199 11.679 3.652 609 HB2 GLU 7 2HB GLU 7 -25.673 14.531 4.505 610 HB3 GLU 7 1HB GLU 7 -24.760 13.700 3.268 611 HG2 GLU 7 2HG GLU 7 -26.402 15.107 2.233 612 HG3 GLU 7 1HG GLU 7 -26.817 13.419 1.952 613 H LEU 8 H LEU 8 -25.483 13.105 6.776 614 HA LEU 8 HA LEU 8 -22.771 12.470 6.969 615 HG LEU 8 HG LEU 8 -23.425 11.407 10.025 616 HB2 LEU 8 2HB LEU 8 -23.619 13.995 8.525 617 HB3 LEU 8 1HB LEU 8 -24.990 12.982 8.918 618 HD11 LEU 8 1HD1 LEU 8 -21.369 12.057 8.891 619 HD12 LEU 8 2HD1 LEU 8 -21.197 12.200 10.640 620 HD13 LEU 8 3HD1 LEU 8 -21.441 13.644 9.658 621 HD21 LEU 8 1HD2 LEU 8 -24.740 13.010 11.303 622 HD22 LEU 8 2HD2 LEU 8 -23.467 14.216 11.111 623 HD23 LEU 8 3HD2 LEU 8 -23.161 12.752 12.043 624 H LYS 9 H LYS 9 -25.639 10.757 8.136 625 HA LYS 9 HA LYS 9 -24.314 8.524 9.208 626 HB2 LYS 9 2HB LYS 9 -26.763 9.312 9.480 627 HB3 LYS 9 1HB LYS 9 -27.068 8.437 7.989 628 HG2 LYS 9 2HG LYS 9 -27.677 7.010 9.773 629 HG3 LYS 9 1HG LYS 9 -26.163 6.391 9.113 630 HD2 LYS 9 2HD LYS 9 -24.911 7.225 10.930 631 HD3 LYS 9 1HD LYS 9 -26.243 8.247 11.477 632 HE2 LYS 9 2HE LYS 9 -27.545 6.197 11.976 633 HE3 LYS 9 1HE LYS 9 -26.135 5.233 11.533 634 HZ1 LYS 9 1HZ LYS 9 -25.072 5.750 13.438 635 HZ2 LYS 9 2HZ LYS 9 -26.652 5.992 14.014 636 HZ3 LYS 9 3HZ LYS 9 -25.713 7.319 13.525 637 H ALA 10 H ALA 10 -25.792 9.034 6.027 638 HA ALA 10 HA ALA 10 -25.284 6.443 5.043 639 HB1 ALA 10 1HB ALA 10 -26.927 7.941 4.034 640 HB2 ALA 10 2HB ALA 10 -25.749 7.393 2.840 641 HB3 ALA 10 3HB ALA 10 -25.633 9.019 3.513 642 H LYS 11 H LYS 11 -23.387 9.421 4.979 643 HA LYS 11 HA LYS 11 -21.426 8.359 3.185 644 HB2 LYS 11 2HB LYS 11 -22.047 10.851 3.657 645 HB3 LYS 11 1HB LYS 11 -20.911 10.698 4.991 646 HG2 LYS 11 2HG LYS 11 -19.752 11.628 3.132 647 HG3 LYS 11 1HG LYS 11 -19.186 9.968 3.350 648 HD2 LYS 11 2HD LYS 11 -20.782 9.248 1.591 649 HD3 LYS 11 1HD LYS 11 -21.204 10.943 1.332 650 HE2 LYS 11 2HE LYS 11 -18.816 11.392 0.805 651 HE3 LYS 11 1HE LYS 11 -18.505 9.661 0.928 652 HZ1 LYS 11 1HZ LYS 11 -20.246 9.377 -0.834 653 HZ2 LYS 11 2HZ LYS 11 -18.820 10.141 -1.344 654 HZ3 LYS 11 3HZ LYS 11 -20.214 11.062 -1.048 655 H LEU 12 H LEU 12 -21.590 8.901 6.690 656 HA LEU 12 HA LEU 12 -18.970 8.070 7.285 657 HG LEU 12 HG LEU 12 -19.612 6.550 9.956 658 HB2 LEU 12 2HB LEU 12 -20.415 9.255 8.881 659 HB3 LEU 12 1HB LEU 12 -21.468 7.857 8.973 660 HD11 LEU 12 1HD1 LEU 12 -17.613 7.719 10.745 661 HD12 LEU 12 2HD1 LEU 12 -18.161 9.195 9.949 662 HD13 LEU 12 3HD1 LEU 12 -17.742 7.776 8.987 663 HD21 LEU 12 1HD2 LEU 12 -19.645 7.653 12.145 664 HD22 LEU 12 2HD2 LEU 12 -21.244 7.640 11.399 665 HD23 LEU 12 3HD2 LEU 12 -20.280 9.117 11.395 666 H LYS 13 H LYS 13 -22.023 6.288 7.109 667 HA LYS 13 HA LYS 13 -21.061 3.771 7.847 668 HB2 LYS 13 2HB LYS 13 -23.465 4.704 7.446 669 HB3 LYS 13 1HB LYS 13 -23.212 4.153 5.798 670 HG2 LYS 13 2HG LYS 13 -22.900 1.895 6.544 671 HG3 LYS 13 1HG LYS 13 -22.992 2.407 8.233 672 HD2 LYS 13 2HD LYS 13 -25.114 1.513 7.611 673 HD3 LYS 13 1HD LYS 13 -25.290 3.253 7.779 674 HE2 LYS 13 2HE LYS 13 -26.460 2.568 5.806 675 HE3 LYS 13 1HE LYS 13 -25.019 3.460 5.322 676 HZ1 LYS 13 1HZ LYS 13 -25.429 0.522 5.252 677 HZ2 LYS 13 2HZ LYS 13 -23.915 1.254 5.024 678 HZ3 LYS 13 3HZ LYS 13 -25.179 1.565 3.938 679 H LYS 14 H LYS 14 -21.160 5.423 4.747 680 HA LYS 14 HA LYS 14 -20.402 3.201 3.154 681 HB2 LYS 14 2HB LYS 14 -21.531 5.387 2.421 682 HB3 LYS 14 1HB LYS 14 -19.921 6.092 2.450 683 HG2 LYS 14 2HG LYS 14 -20.498 5.429 0.201 684 HG3 LYS 14 1HG LYS 14 -19.178 4.425 0.805 685 HD2 LYS 14 2HD LYS 14 -20.710 2.620 1.276 686 HD3 LYS 14 1HD LYS 14 -22.087 3.623 0.815 687 HE2 LYS 14 2HE LYS 14 -21.270 3.728 -1.472 688 HE3 LYS 14 1HE LYS 14 -19.841 2.795 -1.025 689 HZ1 LYS 14 1HZ LYS 14 -21.289 0.938 -0.451 690 HZ2 LYS 14 2HZ LYS 14 -21.498 1.394 -2.070 691 HZ3 LYS 14 3HZ LYS 14 -22.653 1.833 -0.912 692 H LEU 15 H LEU 15 -18.580 5.943 4.505 693 HA LEU 15 HA LEU 15 -16.073 5.194 3.449 694 HG LEU 15 HG LEU 15 -15.548 8.670 4.470 695 HB2 LEU 15 2HB LEU 15 -17.028 7.059 5.541 696 HB3 LEU 15 1HB LEU 15 -15.355 6.558 5.658 697 HD11 LEU 15 1HD1 LEU 15 -14.776 6.409 2.635 698 HD12 LEU 15 2HD1 LEU 15 -13.743 7.149 3.855 699 HD13 LEU 15 3HD1 LEU 15 -14.285 8.095 2.470 700 HD21 LEU 15 1HD2 LEU 15 -17.797 8.395 3.567 701 HD22 LEU 15 2HD2 LEU 15 -17.208 7.150 2.465 702 HD23 LEU 15 3HD2 LEU 15 -16.646 8.814 2.298 703 H ASN 16 H ASN 16 -17.655 4.471 6.528 704 HA ASN 16 HA ASN 16 -15.524 3.136 7.767 705 HB2 ASN 16 2HB ASN 16 -17.786 3.848 8.768 706 HB3 ASN 16 1HB ASN 16 -18.417 2.341 8.110 707 HD21 ASN 16 1HD2 ASN 16 -18.309 3.082 10.861 708 HD22 ASN 16 2HD2 ASN 16 -17.282 1.930 11.659 709 H ALA 17 H ALA 17 -18.154 1.883 5.730 710 HA ALA 17 HA ALA 17 -17.391 -0.820 5.811 711 HB1 ALA 17 1HB ALA 17 -18.799 -1.096 3.830 712 HB2 ALA 17 2HB ALA 17 -18.864 0.654 3.626 713 HB3 ALA 17 3HB ALA 17 -19.592 -0.094 5.046 714 H GLN 18 H GLN 18 -16.592 1.762 3.517 715 HA GLN 18 HA GLN 18 -15.100 0.242 1.706 716 HB2 GLN 18 2HB GLN 18 -15.856 2.519 1.242 717 HB3 GLN 18 1HB GLN 18 -14.791 3.147 2.490 718 HG2 GLN 18 2HG GLN 18 -12.849 2.419 1.213 719 HG3 GLN 18 1HG GLN 18 -13.908 1.758 -0.032 720 HE21 GLN 18 1HE2 GLN 18 -15.008 3.158 -1.396 721 HE22 GLN 18 2HE2 GLN 18 -14.589 4.827 -1.541 722 H ALA 19 H ALA 19 -13.978 2.148 4.502 723 HA ALA 19 HA ALA 19 -11.248 1.537 4.233 724 HB1 ALA 19 1HB ALA 19 -12.774 2.233 6.742 725 HB2 ALA 19 2HB ALA 19 -12.078 3.385 5.602 726 HB3 ALA 19 3HB ALA 19 -11.025 2.318 6.532 727 H THR 20 H THR 20 -13.859 -0.142 5.891 728 HA THR 20 HA THR 20 -12.159 -1.991 7.247 729 HB THR 20 HB THR 20 -15.117 -2.214 6.640 730 HG1 THR 20 1HG THR 20 -14.934 -0.432 7.890 731 HG21 THR 20 1HG2 THR 20 -14.105 -4.352 7.302 732 HG22 THR 20 2HG2 THR 20 -15.177 -3.734 8.558 733 HG23 THR 20 3HG2 THR 20 -13.430 -3.588 8.741 734 H ALA 21 H ALA 21 -13.991 -2.084 4.206 735 HA ALA 21 HA ALA 21 -13.515 -4.811 3.633 736 HB1 ALA 21 1HB ALA 21 -14.174 -4.264 1.351 737 HB2 ALA 21 2HB ALA 21 -14.020 -2.543 1.705 738 HB3 ALA 21 3HB ALA 21 -15.260 -3.503 2.512 739 H LEU 22 H LEU 22 -11.821 -1.851 2.638 740 HA LEU 22 HA LEU 22 -9.877 -3.190 1.074 741 HG LEU 22 HG LEU 22 -9.775 0.238 -0.194 742 HB2 LEU 22 2HB LEU 22 -10.198 -0.433 2.135 743 HB3 LEU 22 1HB LEU 22 -8.608 -0.917 1.579 744 HD11 LEU 22 1HD1 LEU 22 -8.284 -1.586 -0.827 745 HD12 LEU 22 2HD1 LEU 22 -9.630 -1.433 -1.958 746 HD13 LEU 22 3HD1 LEU 22 -9.631 -2.721 -0.753 747 HD21 LEU 22 1HD2 LEU 22 -11.904 -1.882 0.073 748 HD22 LEU 22 2HD2 LEU 22 -11.830 -0.642 -1.180 749 HD23 LEU 22 3HD2 LEU 22 -12.069 -0.181 0.506 750 H LYS 23 H LYS 23 -10.057 -2.450 4.496 751 HA LYS 23 HA LYS 23 -7.303 -2.841 5.022 752 HB2 LYS 23 2HB LYS 23 -7.819 -2.490 7.212 753 HB3 LYS 23 1HB LYS 23 -9.252 -1.800 6.485 754 HG2 LYS 23 2HG LYS 23 -10.432 -3.936 6.886 755 HG3 LYS 23 1HG LYS 23 -8.995 -4.530 7.721 756 HD2 LYS 23 2HD LYS 23 -9.176 -2.601 9.277 757 HD3 LYS 23 1HD LYS 23 -10.693 -2.159 8.491 758 HE2 LYS 23 2HE LYS 23 -11.232 -3.386 10.462 759 HE3 LYS 23 1HE LYS 23 -11.560 -4.429 9.079 760 HZ1 LYS 23 1HZ LYS 23 -9.101 -4.539 10.746 761 HZ2 LYS 23 2HZ LYS 23 -9.490 -5.579 9.465 762 HZ3 LYS 23 3HZ LYS 23 -10.420 -5.595 10.884 763 H MET 24 H MET 24 -10.060 -4.990 4.778 764 HA MET 24 HA MET 24 -8.762 -7.310 5.794 765 HB2 MET 24 2HB MET 24 -11.072 -7.090 3.851 766 HB3 MET 24 1HB MET 24 -10.571 -8.560 4.671 767 HG2 MET 24 2HG MET 24 -11.114 -7.536 6.826 768 HG3 MET 24 1HG MET 24 -11.643 -6.076 5.987 769 HE1 MET 24 1HE MET 24 -15.050 -7.550 7.156 770 HE2 MET 24 2HE MET 24 -14.001 -6.130 7.123 771 HE3 MET 24 3HE MET 24 -13.526 -7.557 8.043 772 H ASP 25 H ASP 25 -9.248 -5.956 2.574 773 HA ASP 25 HA ASP 25 -8.052 -7.980 1.066 774 HB2 ASP 25 2HB ASP 25 -8.899 -5.241 0.638 775 HB3 ASP 25 1HB ASP 25 -7.406 -5.585 -0.229 776 H LEU 26 H LEU 26 -6.649 -5.058 2.503 777 HA LEU 26 HA LEU 26 -4.027 -5.457 1.556 778 HG LEU 26 HG LEU 26 -2.465 -4.307 3.951 779 HB2 LEU 26 2HB LEU 26 -4.881 -3.315 2.431 780 HB3 LEU 26 1HB LEU 26 -4.930 -4.004 4.042 781 HD11 LEU 26 1HD1 LEU 26 -2.730 -2.782 1.362 782 HD12 LEU 26 2HD1 LEU 26 -2.146 -4.434 1.560 783 HD13 LEU 26 3HD1 LEU 26 -1.212 -3.087 2.210 784 HD21 LEU 26 1HD2 LEU 26 -3.419 -1.485 3.478 785 HD22 LEU 26 2HD2 LEU 26 -1.928 -1.963 4.293 786 HD23 LEU 26 3HD2 LEU 26 -3.490 -2.350 5.014 787 H HIS 27 H HIS 27 -5.506 -6.245 4.694 788 HA HIS 27 HA HIS 27 -3.213 -7.269 5.921 789 HD1 HIS 27 1HD HIS 27 -3.788 -7.325 9.191 790 HD2 HIS 27 2HD HIS 27 -5.401 -10.623 7.235 791 HE1 HIS 27 1HE HIS 27 -3.377 -9.285 10.709 792 HE2 HIS 27 2HE HIS 27 -4.233 -11.290 9.443 793 HB2 HIS 27 2HB HIS 27 -5.231 -6.710 7.176 794 HB3 HIS 27 1HB HIS 27 -6.116 -8.003 6.376 795 H ASP 28 H ASP 28 -5.673 -8.903 3.953 796 HA ASP 28 HA ASP 28 -4.556 -11.498 4.390 797 HB2 ASP 28 2HB ASP 28 -6.936 -11.213 3.879 798 HB3 ASP 28 1HB ASP 28 -6.528 -10.567 2.293 799 H LEU 29 H LEU 29 -4.313 -9.081 1.825 800 HA LEU 29 HA LEU 29 -2.880 -10.690 -0.006 801 HG LEU 29 HG LEU 29 -1.116 -8.550 -1.304 802 HB2 LEU 29 2HB LEU 29 -4.045 -8.558 -0.567 803 HB3 LEU 29 1HB LEU 29 -2.792 -7.688 0.295 804 HD11 LEU 29 1HD1 LEU 29 -2.238 -10.602 -1.954 805 HD12 LEU 29 2HD1 LEU 29 -1.876 -9.617 -3.371 806 HD13 LEU 29 3HD1 LEU 29 -3.519 -9.674 -2.734 807 HD21 LEU 29 1HD2 LEU 29 -2.163 -6.364 -1.640 808 HD22 LEU 29 2HD2 LEU 29 -3.442 -7.123 -2.588 809 HD23 LEU 29 3HD2 LEU 29 -1.777 -7.141 -3.174 810 H ALA 30 H ALA 30 -1.898 -8.584 2.633 811 HA ALA 30 HA ALA 30 0.892 -8.695 2.140 812 HB1 ALA 30 1HB ALA 30 -0.108 -6.953 3.522 813 HB2 ALA 30 2HB ALA 30 1.128 -7.835 4.418 814 HB3 ALA 30 3HB ALA 30 -0.580 -8.162 4.718 815 H GLU 31 H GLU 31 -1.340 -10.843 3.713 816 HA GLU 31 HA GLU 31 0.758 -12.411 4.942 817 HB2 GLU 31 2HB GLU 31 -1.576 -12.145 5.892 818 HB3 GLU 31 1HB GLU 31 -2.143 -13.167 4.579 819 HG2 GLU 31 2HG GLU 31 -0.577 -14.935 5.379 820 HG3 GLU 31 1HG GLU 31 -0.237 -13.921 6.779 821 H ASP 32 H ASP 32 -0.874 -12.206 1.956 822 HA ASP 32 HA ASP 32 -0.106 -14.925 1.147 823 HB2 ASP 32 2HB ASP 32 -2.505 -13.882 0.889 824 HB3 ASP 32 1HB ASP 32 -1.803 -13.085 -0.515 825 H LEU 33 H LEU 33 1.626 -12.571 1.450 826 HA LEU 33 HA LEU 33 2.382 -11.243 -0.793 827 HG LEU 33 HG LEU 33 2.466 -9.934 1.569 828 HB2 LEU 33 2HB LEU 33 3.735 -12.029 1.699 829 HB3 LEU 33 1HB LEU 33 4.771 -11.487 0.389 830 HD11 LEU 33 1HD1 LEU 33 4.415 -10.049 3.040 831 HD12 LEU 33 2HD1 LEU 33 4.172 -8.425 2.399 832 HD13 LEU 33 3HD1 LEU 33 5.434 -9.457 1.727 833 HD21 LEU 33 1HD2 LEU 33 4.434 -9.172 -0.588 834 HD22 LEU 33 2HD2 LEU 33 3.221 -8.111 0.128 835 HD23 LEU 33 3HD2 LEU 33 2.720 -9.507 -0.828 836 HA PRO 34 HA PRO 34 5.063 -11.940 -3.943 837 HB2 PRO 34 2HB PRO 34 5.831 -14.574 -2.718 838 HB3 PRO 34 1HB PRO 34 6.635 -13.697 -4.038 839 HG2 PRO 34 2HG PRO 34 7.174 -13.290 -1.321 840 HG3 PRO 34 1HG PRO 34 7.544 -12.134 -2.613 841 HD2 PRO 34 2HD PRO 34 5.729 -11.672 -0.502 842 HD3 PRO 34 1HD PRO 34 5.755 -10.767 -2.040 843 H THR 35 H THR 35 2.310 -13.108 -2.823 844 HA THR 35 HA THR 35 1.643 -13.691 -5.620 845 HB THR 35 HB THR 35 -0.453 -14.548 -3.841 846 HG1 THR 35 1HG THR 35 1.197 -15.029 -2.353 847 HG21 THR 35 1HG2 THR 35 1.293 -16.048 -5.795 848 HG22 THR 35 2HG2 THR 35 -0.229 -15.240 -6.169 849 HG23 THR 35 3HG2 THR 35 -0.213 -16.647 -5.103 850 H GLY 36 H GLY 36 0.047 -12.364 -6.457 851 HA2 GLY 36 2HA GLY 36 -1.356 -10.535 -6.571 852 HA3 GLY 36 1HA GLY 36 -1.588 -10.676 -4.835 853 H TRP 37 H TRP 37 1.673 -10.507 -5.620 854 HA TRP 37 HA TRP 37 2.236 -8.186 -4.243 855 HD1 TRP 37 HD TRP 37 5.070 -7.729 -7.653 856 HE1 TRP 37 1HE TRP 37 5.186 -9.083 -9.841 857 HE3 TRP 37 3HE TRP 37 2.686 -11.983 -6.109 858 HZ2 TRP 37 2HZ TRP 37 4.381 -11.617 -10.779 859 HZ3 TRP 37 3HZ TRP 37 2.399 -13.823 -7.715 860 HH2 TRP 37 HH TRP 37 3.230 -13.642 -10.003 861 HB2 TRP 37 2HB TRP 37 4.462 -8.320 -5.182 862 HB3 TRP 37 1HB TRP 37 3.887 -9.949 -4.841 863 H ASN 38 H ASN 38 1.262 -8.543 -7.572 864 HA ASN 38 HA ASN 38 2.233 -5.984 -8.434 865 HB2 ASN 38 2HB ASN 38 1.748 -8.092 -9.841 866 HB3 ASN 38 1HB ASN 38 0.066 -7.588 -9.779 867 HD21 ASN 38 1HD2 ASN 38 1.851 -7.881 -12.046 868 HD22 ASN 38 2HD2 ASN 38 1.896 -6.338 -12.825 869 H ARG 39 H ARG 39 -0.460 -7.047 -6.670 870 HA ARG 39 HA ARG 39 -2.108 -4.747 -7.459 871 HE ARG 39 HE ARG 39 -6.954 -5.433 -7.112 872 HB2 ARG 39 2HB ARG 39 -2.921 -7.217 -7.435 873 HB3 ARG 39 1HB ARG 39 -3.015 -7.004 -5.694 874 HG2 ARG 39 2HG ARG 39 -4.621 -5.241 -5.944 875 HG3 ARG 39 1HG ARG 39 -4.439 -5.272 -7.700 876 HD2 ARG 39 2HD ARG 39 -5.190 -7.669 -7.627 877 HD3 ARG 39 1HD ARG 39 -5.593 -7.419 -5.930 878 HH11 ARG 39 1HH1 ARG 39 -6.682 -8.852 -7.881 879 HH12 ARG 39 2HH1 ARG 39 -8.284 -8.955 -8.561 880 HH21 ARG 39 1HH2 ARG 39 -9.065 -5.574 -7.989 881 HH22 ARG 39 2HH2 ARG 39 -9.640 -7.091 -8.624 882 H ILE 40 H ILE 40 0.202 -5.347 -5.306 883 HA ILE 40 HA ILE 40 -0.800 -4.800 -2.773 884 HB ILE 40 HB ILE 40 1.888 -4.216 -3.996 885 HG12 ILE 40 2HG1 ILE 40 0.963 -6.292 -2.000 886 HG13 ILE 40 1HG1 ILE 40 1.284 -6.580 -3.703 887 HG21 ILE 40 1HG2 ILE 40 2.763 -3.804 -1.759 888 HG22 ILE 40 2HG2 ILE 40 1.136 -3.928 -1.086 889 HG23 ILE 40 3HG2 ILE 40 1.538 -2.610 -2.188 890 HD11 ILE 40 1HD1 ILE 40 3.322 -5.700 -1.680 891 HD12 ILE 40 2HD1 ILE 40 3.630 -6.061 -3.378 892 HD13 ILE 40 3HD1 ILE 40 3.107 -7.341 -2.282 893 H MET 41 H MET 41 0.470 -2.496 -5.171 894 HA MET 41 HA MET 41 0.208 -0.225 -3.512 895 HB2 MET 41 2HB MET 41 1.725 -0.293 -5.431 896 HB3 MET 41 1HB MET 41 0.355 -0.399 -6.529 897 HG2 MET 41 2HG MET 41 -0.367 1.813 -5.918 898 HG3 MET 41 1HG MET 41 0.885 1.918 -4.681 899 HE1 MET 41 1HE MET 41 3.446 0.720 -6.048 900 HE2 MET 41 2HE MET 41 3.418 2.233 -5.141 901 HE3 MET 41 3HE MET 41 4.157 2.178 -6.741 902 H GLU 42 H GLU 42 -1.960 -1.755 -5.805 903 HA GLU 42 HA GLU 42 -3.893 0.258 -6.058 904 HB2 GLU 42 2HB GLU 42 -3.869 -1.776 -7.441 905 HB3 GLU 42 1HB GLU 42 -4.272 -2.745 -6.035 906 HG2 GLU 42 2HG GLU 42 -6.384 -1.417 -5.837 907 HG3 GLU 42 1HG GLU 42 -5.993 -0.691 -7.397 908 H VAL 43 H VAL 43 -3.850 -2.540 -3.877 909 HA VAL 43 HA VAL 43 -6.154 -1.886 -2.441 910 HB VAL 43 HB VAL 43 -3.729 -3.325 -1.349 911 HG11 VAL 43 1HG1 VAL 43 -5.328 -2.680 0.367 912 HG12 VAL 43 2HG1 VAL 43 -5.351 -4.426 0.121 913 HG13 VAL 43 3HG1 VAL 43 -6.636 -3.424 -0.554 914 HG21 VAL 43 1HG2 VAL 43 -4.827 -5.388 -2.086 915 HG22 VAL 43 2HG2 VAL 43 -4.451 -4.337 -3.453 916 HG23 VAL 43 3HG2 VAL 43 -6.104 -4.437 -2.844 917 H ALA 44 H ALA 44 -2.756 -1.208 -1.668 918 HA ALA 44 HA ALA 44 -3.103 0.115 0.739 919 HB1 ALA 44 1HB ALA 44 -1.021 0.679 -1.362 920 HB2 ALA 44 2HB ALA 44 -0.939 -0.604 -0.153 921 HB3 ALA 44 3HB ALA 44 -0.918 1.086 0.351 922 H GLU 45 H GLU 45 -3.214 1.392 -2.551 923 HA GLU 45 HA GLU 45 -3.450 4.102 -2.134 924 HB2 GLU 45 2HB GLU 45 -4.478 2.154 -4.119 925 HB3 GLU 45 1HB GLU 45 -5.228 3.731 -4.118 926 HG2 GLU 45 2HG GLU 45 -3.056 4.776 -4.484 927 HG3 GLU 45 1HG GLU 45 -2.295 3.182 -4.465 928 H LYS 46 H LYS 46 -6.148 1.806 -2.383 929 HA LYS 46 HA LYS 46 -8.062 3.817 -1.741 930 HB2 LYS 46 2HB LYS 46 -8.261 0.831 -2.111 931 HB3 LYS 46 1HB LYS 46 -9.649 1.808 -1.655 932 HG2 LYS 46 2HG LYS 46 -9.706 1.441 -4.019 933 HG3 LYS 46 1HG LYS 46 -9.329 3.139 -3.728 934 HD2 LYS 46 2HD LYS 46 -6.958 2.677 -4.142 935 HD3 LYS 46 1HD LYS 46 -7.332 0.975 -4.413 936 HE2 LYS 46 2HE LYS 46 -8.706 1.573 -6.335 937 HE3 LYS 46 1HE LYS 46 -8.378 3.281 -6.051 938 HZ1 LYS 46 1HZ LYS 46 -6.099 2.979 -6.597 939 HZ2 LYS 46 2HZ LYS 46 -6.990 2.201 -7.817 940 HZ3 LYS 46 3HZ LYS 46 -6.245 1.294 -6.603 941 H THR 47 H THR 47 -6.446 1.269 0.083 942 HA THR 47 HA THR 47 -8.020 1.407 2.407 943 HB THR 47 HB THR 47 -5.063 0.781 2.246 944 HG1 THR 47 1HG THR 47 -6.753 -1.350 2.400 945 HG21 THR 47 1HG2 THR 47 -5.852 1.126 4.531 946 HG22 THR 47 2HG2 THR 47 -5.497 -0.579 4.249 947 HG23 THR 47 3HG2 THR 47 -7.168 -0.016 4.262 948 H TYR 48 H TYR 48 -5.027 3.145 1.520 949 HA TYR 48 HA TYR 48 -4.873 4.598 3.954 950 HD1 TYR 48 2HD TYR 48 -2.538 5.504 4.792 951 HD2 TYR 48 1HD TYR 48 -3.294 7.528 1.123 952 HE1 TYR 48 2HE TYR 48 -1.562 7.557 5.727 953 HE2 TYR 48 1HE TYR 48 -2.324 9.587 2.053 954 HH TYR 48 HH TYR 48 -0.682 9.612 5.145 955 HB2 TYR 48 2HB TYR 48 -2.908 4.288 2.530 956 HB3 TYR 48 1HB TYR 48 -3.669 5.227 1.250 957 H GLU 49 H GLU 49 -6.042 5.507 0.710 958 HA GLU 49 HA GLU 49 -6.802 8.135 1.336 959 HB2 GLU 49 2HB GLU 49 -7.687 6.138 -0.738 960 HB3 GLU 49 1HB GLU 49 -8.454 7.708 -0.629 961 HG2 GLU 49 2HG GLU 49 -5.487 7.396 -0.918 962 HG3 GLU 49 1HG GLU 49 -6.576 7.443 -2.304 963 H ALA 50 H ALA 50 -8.570 5.079 1.729 964 HA ALA 50 HA ALA 50 -11.034 6.268 2.465 965 HB1 ALA 50 1HB ALA 50 -9.936 3.567 3.247 966 HB2 ALA 50 2HB ALA 50 -10.854 3.918 1.781 967 HB3 ALA 50 3HB ALA 50 -11.619 4.078 3.363 968 H TYR 51 H TYR 51 -8.303 5.025 4.389 969 HA TYR 51 HA TYR 51 -9.366 5.624 6.910 970 HD1 TYR 51 1HD TYR 51 -9.402 4.178 8.050 971 HD2 TYR 51 2HD TYR 51 -5.671 3.065 6.329 972 HE1 TYR 51 1HE TYR 51 -9.764 1.859 8.781 973 HE2 TYR 51 2HE TYR 51 -6.031 0.743 7.047 974 HH TYR 51 HH TYR 51 -9.010 -0.410 8.138 975 HB2 TYR 51 2HB TYR 51 -6.579 5.209 5.884 976 HB3 TYR 51 1HB TYR 51 -6.837 5.746 7.538 977 H ARG 52 H ARG 52 -7.300 7.546 4.765 978 HA ARG 52 HA ARG 52 -6.938 9.667 6.584 979 HE ARG 52 HE ARG 52 -5.616 12.226 3.373 980 HB2 ARG 52 2HB ARG 52 -6.118 10.956 4.697 981 HB3 ARG 52 1HB ARG 52 -5.467 9.334 4.652 982 HG2 ARG 52 2HG ARG 52 -6.858 8.746 2.844 983 HG3 ARG 52 1HG ARG 52 -7.834 10.207 3.030 984 HD2 ARG 52 2HD ARG 52 -4.922 10.115 2.248 985 HD3 ARG 52 1HD ARG 52 -6.274 10.392 1.150 986 HH11 ARG 52 1HH1 ARG 52 -6.398 11.627 0.009 987 HH12 ARG 52 2HH1 ARG 52 -6.568 13.316 -0.382 988 HH21 ARG 52 1HH2 ARG 52 -5.821 14.447 2.852 989 HH22 ARG 52 2HH2 ARG 52 -6.237 14.916 1.228 990 H GLN 53 H GLN 53 -9.355 9.120 4.056 991 HA GLN 53 HA GLN 53 -10.610 11.673 4.368 992 HB2 GLN 53 2HB GLN 53 -10.787 10.388 2.286 993 HB3 GLN 53 1HB GLN 53 -11.616 9.094 3.136 994 HG2 GLN 53 2HG GLN 53 -13.193 10.415 1.883 995 HG3 GLN 53 1HG GLN 53 -13.480 10.603 3.611 996 HE21 GLN 53 1HE2 GLN 53 -13.110 12.585 4.579 997 HE22 GLN 53 2HE2 GLN 53 -12.870 14.035 3.664 998 H LEU 54 H LEU 54 -11.074 8.474 5.760 999 HA LEU 54 HA LEU 54 -13.581 8.921 6.946 1000 HG LEU 54 HG LEU 54 -14.421 6.912 8.060 1001 HB2 LEU 54 2HB LEU 54 -12.271 6.728 6.665 1002 HB3 LEU 54 1HB LEU 54 -11.422 7.187 8.124 1003 HD11 LEU 54 1HD1 LEU 54 -13.490 4.793 7.322 1004 HD12 LEU 54 2HD1 LEU 54 -14.110 4.650 8.967 1005 HD13 LEU 54 3HD1 LEU 54 -12.374 4.787 8.687 1006 HD21 LEU 54 1HD2 LEU 54 -12.403 6.759 10.299 1007 HD22 LEU 54 2HD2 LEU 54 -14.149 6.566 10.462 1008 HD23 LEU 54 3HD2 LEU 54 -13.476 8.117 9.966 1009 H ASP 55 H ASP 55 -10.282 9.302 8.264 1010 HA ASP 55 HA ASP 55 -11.164 10.265 10.784 1011 HB2 ASP 55 2HB ASP 55 -8.948 9.302 10.552 1012 HB3 ASP 55 1HB ASP 55 -8.487 10.567 9.413 1013 H GLU 56 H GLU 56 -10.149 11.874 7.805 1014 HA GLU 56 HA GLU 56 -10.223 14.513 8.709 1015 HB2 GLU 56 2HB GLU 56 -10.660 13.233 6.031 1016 HB3 GLU 56 1HB GLU 56 -10.877 14.961 6.221 1017 HG2 GLU 56 2HG GLU 56 -8.367 13.419 6.829 1018 HG3 GLU 56 1HG GLU 56 -8.654 14.411 5.400 1019 H PHE 57 H PHE 57 -12.811 12.569 7.248 1020 HA PHE 57 HA PHE 57 -14.828 14.530 7.453 1021 HD1 PHE 57 1HD PHE 57 -16.653 14.340 5.593 1022 HD2 PHE 57 2HD PHE 57 -17.290 11.086 8.261 1023 HE1 PHE 57 1HE PHE 57 -19.082 14.670 5.409 1024 HE2 PHE 57 2HE PHE 57 -19.722 11.416 8.088 1025 HZ PHE 57 HZ PHE 57 -20.620 13.207 6.660 1026 HB2 PHE 57 2HB PHE 57 -14.923 12.462 6.038 1027 HB3 PHE 57 1HB PHE 57 -15.155 11.519 7.504 1028 H ARG 58 H ARG 58 -13.719 11.992 9.588 1029 HA ARG 58 HA ARG 58 -15.604 12.178 11.641 1030 HE ARG 58 HE ARG 58 -12.967 10.188 15.870 1031 HB2 ARG 58 2HB ARG 58 -14.121 10.336 11.621 1032 HB3 ARG 58 1HB ARG 58 -12.705 11.370 11.538 1033 HG2 ARG 58 2HG ARG 58 -13.287 12.145 13.873 1034 HG3 ARG 58 1HG ARG 58 -14.463 10.826 13.911 1035 HD2 ARG 58 2HD ARG 58 -12.694 9.215 13.453 1036 HD3 ARG 58 1HD ARG 58 -11.514 10.517 13.357 1037 HH11 ARG 58 1HH1 ARG 58 -9.997 9.895 14.034 1038 HH12 ARG 58 2HH1 ARG 58 -9.033 9.463 15.415 1039 HH21 ARG 58 1HH2 ARG 58 -11.694 9.702 17.703 1040 HH22 ARG 58 2HH2 ARG 58 -9.998 9.387 17.512 1041 H LYS 59 H LYS 59 -12.472 13.846 11.273 1042 HA LYS 59 HA LYS 59 -12.562 15.297 13.683 1043 HB2 LYS 59 2HB LYS 59 -11.252 16.035 11.069 1044 HB3 LYS 59 1HB LYS 59 -10.936 16.810 12.614 1045 HG2 LYS 59 2HG LYS 59 -10.455 14.289 13.314 1046 HG3 LYS 59 1HG LYS 59 -10.064 14.184 11.595 1047 HD2 LYS 59 2HD LYS 59 -8.538 16.076 11.829 1048 HD3 LYS 59 1HD LYS 59 -8.937 16.178 13.544 1049 HE2 LYS 59 2HE LYS 59 -7.416 14.044 12.088 1050 HE3 LYS 59 1HE LYS 59 -6.919 15.015 13.468 1051 HZ1 LYS 59 1HZ LYS 59 -8.669 13.846 14.770 1052 HZ2 LYS 59 2HZ LYS 59 -7.395 12.856 14.256 1053 HZ3 LYS 59 3HZ LYS 59 -8.881 12.796 13.448 1054 H SER 60 H SER 60 -13.571 16.141 10.418 1055 HA SER 60 HA SER 60 -14.447 18.735 10.920 1056 HG SER 60 HG SER 60 -16.604 18.476 8.168 1057 HB2 SER 60 2HB SER 60 -14.123 17.756 8.662 1058 HB3 SER 60 1HB SER 60 -15.586 16.800 8.899 1059 H THR 61 H THR 61 -16.390 15.748 10.827 1060 HA THR 61 HA THR 61 -18.810 17.090 11.395 1061 HB THR 61 HB THR 61 -18.714 14.879 10.262 1062 HG1 THR 61 1HG THR 61 -20.603 15.756 11.514 1063 HG21 THR 61 1HG2 THR 61 -17.045 13.780 11.675 1064 HG22 THR 61 2HG2 THR 61 -18.536 12.839 11.604 1065 HG23 THR 61 3HG2 THR 61 -18.170 13.809 13.032 1066 H ALA 62 H ALA 62 -16.455 15.483 13.504 1067 HA ALA 62 HA ALA 62 -18.067 15.395 15.811 1068 HB1 ALA 62 1HB ALA 62 -15.999 14.102 15.563 1069 HB2 ALA 62 2HB ALA 62 -16.009 15.048 17.050 1070 HB3 ALA 62 3HB ALA 62 -15.060 15.592 15.666 1071 H SER 63 H SER 63 -16.037 17.898 14.450 1072 HA SER 63 HA SER 63 -16.122 19.595 16.739 1073 HG SER 63 HG SER 63 -13.988 18.896 14.241 1074 HB2 SER 63 2HB SER 63 -15.524 20.344 13.871 1075 HB3 SER 63 1HB SER 63 -15.065 21.240 15.320 1076 H LEU 64 H LEU 64 -17.995 19.387 13.727 1077 HA LEU 64 HA LEU 64 -19.551 21.721 14.306 1078 HG LEU 64 HG LEU 64 -19.770 21.439 10.652 1079 HB2 LEU 64 2HB LEU 64 -19.667 19.564 12.249 1080 HB3 LEU 64 1HB LEU 64 -21.076 20.577 12.485 1081 HD11 LEU 64 1HD1 LEU 64 -19.467 23.173 13.096 1082 HD12 LEU 64 2HD1 LEU 64 -20.890 23.073 12.058 1083 HD13 LEU 64 3HD1 LEU 64 -19.378 23.723 11.425 1084 HD21 LEU 64 1HD2 LEU 64 -17.596 20.510 11.251 1085 HD22 LEU 64 2HD2 LEU 64 -17.476 21.640 12.599 1086 HD23 LEU 64 3HD2 LEU 64 -17.484 22.243 10.942 1087 H GLU 65 H GLU 65 -19.918 18.286 14.817 1088 HA GLU 65 HA GLU 65 -22.607 18.356 15.755 1089 HB2 GLU 65 2HB GLU 65 -21.483 16.325 14.914 1090 HB3 GLU 65 1HB GLU 65 -20.400 16.367 16.293 1091 HG2 GLU 65 2HG GLU 65 -22.543 16.224 17.707 1092 HG3 GLU 65 1HG GLU 65 -23.309 15.690 16.207 1093 H HIS 66 H HIS 66 -19.650 19.233 17.035 1094 HA HIS 66 HA HIS 66 -18.920 20.086 19.003 1095 HD1 HIS 66 1HD HIS 66 -21.915 21.406 22.123 1096 HD2 HIS 66 2HD HIS 66 -18.493 22.308 19.944 1097 HE1 HIS 66 1HE HIS 66 -20.659 23.092 23.500 1098 HE2 HIS 66 2HE HIS 66 -18.748 23.813 22.027 1099 HB2 HIS 66 2HB HIS 66 -21.265 21.183 18.803 1100 HB3 HIS 66 1HB HIS 66 -21.734 20.038 20.048 1101 H HIS 67 H HIS 67 -19.444 17.191 18.505 1102 HA HIS 67 HA HIS 67 -18.949 15.233 19.508 1103 HD1 HIS 67 1HD HIS 67 -16.118 14.148 20.950 1104 HD2 HIS 67 2HD HIS 67 -16.386 18.149 19.851 1105 HE1 HIS 67 1HE HIS 67 -13.947 14.683 19.796 1106 HE2 HIS 67 2HE HIS 67 -14.038 17.170 19.381 1107 HB2 HIS 67 2HB HIS 67 -18.200 17.055 21.779 1108 HB3 HIS 67 1HB HIS 67 -18.116 15.304 21.934 1109 H HIS 68 H HIS 68 -20.807 14.166 19.492 1110 HA HIS 68 HA HIS 68 -22.980 14.599 21.258 1111 HD1 HIS 68 1HD HIS 68 -21.839 12.214 17.516 1112 HD2 HIS 68 2HD HIS 68 -21.621 10.455 21.280 1113 HE1 HIS 68 1HE HIS 68 -20.392 10.176 17.234 1114 HE2 HIS 68 2HE HIS 68 -20.051 9.306 19.573 1115 HB2 HIS 68 2HB HIS 68 -23.794 12.399 20.504 1116 HB3 HIS 68 1HB HIS 68 -23.266 13.385 19.148 1117 H HIS 69 H HIS 69 -23.774 13.026 22.858 1118 HA HIS 69 HA HIS 69 -21.574 11.841 24.414 1119 HD1 HIS 69 1HD HIS 69 -21.881 12.799 27.803 1120 HD2 HIS 69 2HD HIS 69 -22.970 15.314 24.678 1121 HE1 HIS 69 1HE HIS 69 -20.919 15.048 28.380 1122 HE2 HIS 69 2HE HIS 69 -21.507 16.537 26.437 1123 HB2 HIS 69 2HB HIS 69 -24.350 12.741 25.168 1124 HB3 HIS 69 1HB HIS 69 -23.407 11.679 26.210 1125 H HIS 70 H HIS 70 -22.833 9.905 25.833 1126 HA HIS 70 HA HIS 70 -23.377 7.968 23.710 1127 HD1 HIS 70 1HD HIS 70 -24.832 5.415 25.634 1128 HD2 HIS 70 2HD HIS 70 -20.820 5.251 24.516 1129 HE1 HIS 70 1HE HIS 70 -24.445 3.070 24.823 1130 HE2 HIS 70 2HE HIS 70 -21.960 2.932 24.408 1131 HB2 HIS 70 2HB HIS 70 -21.657 7.574 25.563 1132 HB3 HIS 70 1HB HIS 70 -23.028 7.366 26.647 1133 H HIS 71 H HIS 71 -25.456 7.757 23.166 1134 HA HIS 71 HA HIS 71 -27.512 7.960 25.215 1135 HD1 HIS 71 1HD HIS 71 -26.698 9.403 21.141 1136 HD2 HIS 71 2HD HIS 71 -28.311 5.575 21.421 1137 HE1 HIS 71 1HE HIS 71 -26.192 8.282 18.941 1138 HE2 HIS 71 2HE HIS 71 -27.335 6.035 19.073 1139 HB2 HIS 71 2HB HIS 71 -29.103 7.646 23.280 1140 HB3 HIS 71 1HB HIS 71 -28.105 9.090 23.197 Start of MODEL 13 1 HA MET 1 HA MET 1 34.316 -7.218 -19.328 2 H1 MET 1 1H MET 1 34.596 -8.688 -21.188 3 H2 MET 1 2H MET 1 33.732 -7.638 -22.201 4 H3 MET 1 3H MET 1 32.946 -8.414 -20.912 5 HB2 MET 1 2HB MET 1 35.390 -5.924 -21.836 6 HB3 MET 1 1HB MET 1 35.556 -5.196 -20.245 7 HG2 MET 1 2HG MET 1 36.764 -7.226 -19.497 8 HG3 MET 1 1HG MET 1 36.674 -7.841 -21.146 9 HE1 MET 1 1HE MET 1 40.454 -6.826 -20.665 10 HE2 MET 1 2HE MET 1 39.349 -8.140 -21.071 11 HE3 MET 1 3HE MET 1 39.369 -7.478 -19.436 12 H SER 2 H SER 2 34.092 -4.567 -19.166 13 HA SER 2 HA SER 2 32.596 -2.882 -18.853 14 HG SER 2 HG SER 2 33.339 -2.507 -20.982 15 HB2 SER 2 2HB SER 2 31.289 -4.127 -21.270 16 HB3 SER 2 1HB SER 2 30.670 -2.696 -20.462 17 H GLU 3 H GLU 3 32.271 -5.775 -18.028 18 HA GLU 3 HA GLU 3 29.587 -5.606 -16.881 19 HB2 GLU 3 2HB GLU 3 29.444 -8.050 -17.100 20 HB3 GLU 3 1HB GLU 3 29.688 -7.302 -18.675 21 HG2 GLU 3 2HG GLU 3 32.205 -7.760 -18.208 22 HG3 GLU 3 1HG GLU 3 31.590 -8.918 -17.033 23 H GLY 4 H GLY 4 29.427 -6.827 -14.849 24 HA2 GLY 4 2HA GLY 4 31.907 -7.578 -13.560 25 HA3 GLY 4 1HA GLY 4 31.097 -6.187 -12.864 26 H ALA 5 H ALA 5 31.441 -9.439 -12.700 27 HA ALA 5 HA ALA 5 28.811 -10.290 -12.058 28 HB1 ALA 5 1HB ALA 5 30.542 -11.856 -12.796 29 HB2 ALA 5 2HB ALA 5 29.871 -12.329 -11.235 30 HB3 ALA 5 3HB ALA 5 31.450 -11.548 -11.316 31 H GLU 6 H GLU 6 31.470 -8.961 -10.216 32 HA GLU 6 HA GLU 6 30.440 -9.610 -7.638 33 HB2 GLU 6 2HB GLU 6 32.400 -7.433 -8.385 34 HB3 GLU 6 1HB GLU 6 32.186 -8.162 -6.797 35 HG2 GLU 6 2HG GLU 6 32.937 -10.305 -7.697 36 HG3 GLU 6 1HG GLU 6 33.182 -9.557 -9.269 37 H GLU 7 H GLU 7 30.459 -6.712 -9.646 38 HA GLU 7 HA GLU 7 28.969 -5.068 -7.887 39 HB2 GLU 7 2HB GLU 7 30.359 -4.450 -9.985 40 HB3 GLU 7 1HB GLU 7 28.889 -4.797 -10.879 41 HG2 GLU 7 2HG GLU 7 27.706 -3.062 -9.788 42 HG3 GLU 7 1HG GLU 7 28.996 -2.838 -8.606 43 H LEU 8 H LEU 8 28.050 -7.313 -10.414 44 HA LEU 8 HA LEU 8 25.299 -6.832 -10.471 45 HG LEU 8 HG LEU 8 24.370 -9.563 -10.685 46 HB2 LEU 8 2HB LEU 8 26.513 -8.134 -12.148 47 HB3 LEU 8 1HB LEU 8 26.919 -9.342 -10.944 48 HD11 LEU 8 1HD1 LEU 8 23.821 -7.640 -12.106 49 HD12 LEU 8 2HD1 LEU 8 23.096 -9.133 -12.697 50 HD13 LEU 8 3HD1 LEU 8 24.528 -8.477 -13.487 51 HD21 LEU 8 1HD2 LEU 8 25.833 -11.335 -11.478 52 HD22 LEU 8 2HD2 LEU 8 25.815 -10.638 -13.100 53 HD23 LEU 8 3HD2 LEU 8 24.334 -11.301 -12.408 54 H LYS 9 H LYS 9 27.275 -9.143 -8.680 55 HA LYS 9 HA LYS 9 25.307 -10.359 -7.119 56 HB2 LYS 9 2HB LYS 9 27.660 -11.112 -7.421 57 HB3 LYS 9 1HB LYS 9 28.189 -9.783 -6.410 58 HG2 LYS 9 2HG LYS 9 26.989 -10.741 -4.511 59 HG3 LYS 9 1HG LYS 9 26.443 -12.076 -5.535 60 HD2 LYS 9 2HD LYS 9 28.763 -12.725 -5.940 61 HD3 LYS 9 1HD LYS 9 29.321 -11.385 -4.937 62 HE2 LYS 9 2HE LYS 9 28.166 -12.378 -3.006 63 HE3 LYS 9 1HE LYS 9 27.662 -13.732 -4.020 64 HZ1 LYS 9 1HZ LYS 9 29.963 -14.319 -4.364 65 HZ2 LYS 9 2HZ LYS 9 29.647 -14.238 -2.699 66 HZ3 LYS 9 3HZ LYS 9 30.484 -12.979 -3.462 67 H ALA 10 H ALA 10 27.365 -7.561 -6.418 68 HA ALA 10 HA ALA 10 26.365 -6.984 -3.865 69 HB1 ALA 10 1HB ALA 10 27.440 -5.043 -5.906 70 HB2 ALA 10 2HB ALA 10 28.413 -5.985 -4.776 71 HB3 ALA 10 3HB ALA 10 27.297 -4.758 -4.175 72 H LYS 11 H LYS 11 25.255 -5.978 -7.067 73 HA LYS 11 HA LYS 11 23.234 -4.209 -6.178 74 HB2 LYS 11 2HB LYS 11 24.102 -4.295 -8.508 75 HB3 LYS 11 1HB LYS 11 23.297 -5.842 -8.724 76 HG2 LYS 11 2HG LYS 11 21.926 -4.187 -9.729 77 HG3 LYS 11 1HG LYS 11 21.129 -4.685 -8.236 78 HD2 LYS 11 2HD LYS 11 22.020 -2.708 -7.102 79 HD3 LYS 11 1HD LYS 11 22.824 -2.216 -8.593 80 HE2 LYS 11 2HE LYS 11 20.568 -2.167 -9.685 81 HE3 LYS 11 1HE LYS 11 19.859 -2.424 -8.091 82 HZ1 LYS 11 1HZ LYS 11 19.876 -0.085 -8.636 83 HZ2 LYS 11 2HZ LYS 11 21.549 -0.125 -8.910 84 HZ3 LYS 11 3HZ LYS 11 20.941 -0.371 -7.344 85 H LEU 12 H LEU 12 23.088 -7.589 -7.234 86 HA LEU 12 HA LEU 12 20.384 -8.053 -6.723 87 HG LEU 12 HG LEU 12 20.617 -10.933 -5.577 88 HB2 LEU 12 2HB LEU 12 21.834 -9.578 -7.985 89 HB3 LEU 12 1HB LEU 12 22.714 -9.965 -6.520 90 HD11 LEU 12 1HD1 LEU 12 18.998 -9.712 -6.914 91 HD12 LEU 12 2HD1 LEU 12 18.786 -11.453 -7.114 92 HD13 LEU 12 3HD1 LEU 12 19.581 -10.509 -8.376 93 HD21 LEU 12 1HD2 LEU 12 20.693 -12.973 -6.926 94 HD22 LEU 12 2HD2 LEU 12 22.309 -12.356 -6.583 95 HD23 LEU 12 3HD2 LEU 12 21.589 -12.112 -8.177 96 H LYS 13 H LYS 13 23.210 -8.382 -4.615 97 HA LYS 13 HA LYS 13 21.965 -9.409 -2.337 98 HB2 LYS 13 2HB LYS 13 24.438 -9.096 -2.709 99 HB3 LYS 13 1HB LYS 13 24.216 -7.390 -2.368 100 HG2 LYS 13 2HG LYS 13 25.002 -8.353 -0.376 101 HG3 LYS 13 1HG LYS 13 23.277 -8.082 -0.130 102 HD2 LYS 13 2HD LYS 13 22.833 -10.431 -0.639 103 HD3 LYS 13 1HD LYS 13 24.555 -10.699 -0.910 104 HE2 LYS 13 2HE LYS 13 24.967 -9.980 1.440 105 HE3 LYS 13 1HE LYS 13 23.221 -9.918 1.678 106 HZ1 LYS 13 1HZ LYS 13 24.818 -12.322 0.965 107 HZ2 LYS 13 2HZ LYS 13 23.128 -12.290 1.086 108 HZ3 LYS 13 3HZ LYS 13 24.081 -12.011 2.461 109 H LYS 14 H LYS 14 22.559 -6.032 -3.245 110 HA LYS 14 HA LYS 14 21.357 -4.810 -1.040 111 HB2 LYS 14 2HB LYS 14 22.858 -3.776 -2.814 112 HB3 LYS 14 1HB LYS 14 21.434 -3.685 -3.840 113 HG2 LYS 14 2HG LYS 14 21.783 -1.561 -2.797 114 HG3 LYS 14 1HG LYS 14 20.333 -2.300 -2.111 115 HD2 LYS 14 2HD LYS 14 21.697 -1.299 -0.363 116 HD3 LYS 14 1HD LYS 14 21.636 -3.048 -0.174 117 HE2 LYS 14 2HE LYS 14 23.825 -3.268 -1.168 118 HE3 LYS 14 1HE LYS 14 23.883 -1.538 -1.500 119 HZ1 LYS 14 1HZ LYS 14 23.732 -2.737 1.218 120 HZ2 LYS 14 2HZ LYS 14 23.905 -1.090 0.851 121 HZ3 LYS 14 3HZ LYS 14 25.153 -2.178 0.481 122 H LEU 15 H LEU 15 20.011 -5.771 -4.174 123 HA LEU 15 HA LEU 15 17.457 -4.607 -3.778 124 HG LEU 15 HG LEU 15 19.365 -4.723 -6.189 125 HB2 LEU 15 2HB LEU 15 18.342 -6.868 -5.569 126 HB3 LEU 15 1HB LEU 15 16.752 -6.130 -5.630 127 HD11 LEU 15 1HD1 LEU 15 17.161 -5.595 -8.054 128 HD12 LEU 15 2HD1 LEU 15 18.761 -6.326 -7.926 129 HD13 LEU 15 3HD1 LEU 15 18.593 -4.667 -8.502 130 HD21 LEU 15 1HD2 LEU 15 16.522 -3.736 -6.429 131 HD22 LEU 15 2HD2 LEU 15 17.970 -2.856 -6.914 132 HD23 LEU 15 3HD2 LEU 15 17.696 -3.228 -5.214 133 H ASN 16 H ASN 16 18.692 -7.891 -3.281 134 HA ASN 16 HA ASN 16 16.280 -9.095 -2.490 135 HB2 ASN 16 2HB ASN 16 18.511 -10.208 -3.075 136 HB3 ASN 16 1HB ASN 16 19.005 -9.846 -1.427 137 HD21 ASN 16 1HD2 ASN 16 18.696 -12.417 -2.708 138 HD22 ASN 16 2HD2 ASN 16 17.522 -13.300 -1.792 139 H ALA 17 H ALA 17 18.820 -7.495 -0.614 140 HA ALA 17 HA ALA 17 17.646 -7.898 1.929 141 HB1 ALA 17 1HB ALA 17 19.580 -5.759 1.043 142 HB2 ALA 17 2HB ALA 17 20.018 -7.370 1.613 143 HB3 ALA 17 3HB ALA 17 19.237 -6.229 2.710 144 H GLN 18 H GLN 18 17.476 -5.248 -0.416 145 HA GLN 18 HA GLN 18 16.066 -3.421 1.177 146 HB2 GLN 18 2HB GLN 18 17.183 -2.922 -1.019 147 HB3 GLN 18 1HB GLN 18 15.838 -3.720 -1.821 148 HG2 GLN 18 2HG GLN 18 14.302 -2.081 -0.775 149 HG3 GLN 18 1HG GLN 18 15.707 -1.246 -0.116 150 HE21 GLN 18 1HE2 GLN 18 17.276 -1.852 -2.548 151 HE22 GLN 18 2HE2 GLN 18 16.714 -0.742 -3.752 152 H ALA 19 H ALA 19 14.906 -5.874 -1.116 153 HA ALA 19 HA ALA 19 12.161 -5.382 -0.874 154 HB1 ALA 19 1HB ALA 19 13.091 -6.812 -2.616 155 HB2 ALA 19 2HB ALA 19 11.854 -7.671 -1.699 156 HB3 ALA 19 3HB ALA 19 13.561 -8.005 -1.405 157 H THR 20 H THR 20 14.311 -7.440 1.015 158 HA THR 20 HA THR 20 12.316 -8.548 2.687 159 HB THR 20 HB THR 20 15.274 -8.204 3.229 160 HG1 THR 20 1HG THR 20 15.168 -9.441 1.423 161 HG21 THR 20 1HG2 THR 20 14.970 -10.163 4.715 162 HG22 THR 20 2HG2 THR 20 13.229 -10.071 4.442 163 HG23 THR 20 3HG2 THR 20 14.066 -8.749 5.258 164 H ALA 21 H ALA 21 14.382 -5.686 2.938 165 HA ALA 21 HA ALA 21 13.757 -4.983 5.589 166 HB1 ALA 21 1HB ALA 21 14.612 -2.776 5.016 167 HB2 ALA 21 2HB ALA 21 14.530 -3.178 3.301 168 HB3 ALA 21 3HB ALA 21 15.649 -4.041 4.354 169 H LEU 22 H LEU 22 12.293 -3.990 2.502 170 HA LEU 22 HA LEU 22 10.316 -2.325 3.651 171 HG LEU 22 HG LEU 22 10.230 -1.332 0.140 172 HB2 LEU 22 2HB LEU 22 10.726 -3.592 0.996 173 HB3 LEU 22 1HB LEU 22 9.102 -3.055 1.382 174 HD11 LEU 22 1HD1 LEU 22 8.706 -0.597 1.884 175 HD12 LEU 22 2HD1 LEU 22 10.043 0.537 1.702 176 HD13 LEU 22 3HD1 LEU 22 10.026 -0.594 3.055 177 HD21 LEU 22 1HD2 LEU 22 12.339 -1.390 2.295 178 HD22 LEU 22 2HD2 LEU 22 12.255 -0.242 0.959 179 HD23 LEU 22 3HD2 LEU 22 12.538 -1.953 0.634 180 H LYS 23 H LYS 23 10.410 -5.745 2.868 181 HA LYS 23 HA LYS 23 7.739 -6.398 3.347 182 HB2 LYS 23 2HB LYS 23 9.580 -7.847 2.358 183 HB3 LYS 23 1HB LYS 23 10.122 -8.138 4.001 184 HG2 LYS 23 2HG LYS 23 7.318 -8.762 3.142 185 HG3 LYS 23 1HG LYS 23 8.646 -9.894 2.884 186 HD2 LYS 23 2HD LYS 23 9.120 -9.731 5.348 187 HD3 LYS 23 1HD LYS 23 7.614 -8.824 5.505 188 HE2 LYS 23 2HE LYS 23 7.209 -11.145 6.026 189 HE3 LYS 23 1HE LYS 23 6.403 -10.736 4.511 190 HZ1 LYS 23 1HZ LYS 23 8.124 -11.808 3.278 191 HZ2 LYS 23 2HZ LYS 23 7.598 -12.892 4.476 192 HZ3 LYS 23 3HZ LYS 23 9.060 -12.053 4.672 193 H MET 24 H MET 24 10.474 -6.056 5.562 194 HA MET 24 HA MET 24 9.190 -6.989 7.887 195 HB2 MET 24 2HB MET 24 11.449 -5.012 7.557 196 HB3 MET 24 1HB MET 24 10.936 -5.665 9.105 197 HG2 MET 24 2HG MET 24 11.981 -7.277 6.789 198 HG3 MET 24 1HG MET 24 12.905 -6.807 8.215 199 HE1 MET 24 1HE MET 24 12.504 -9.814 7.067 200 HE2 MET 24 2HE MET 24 12.319 -10.699 8.584 201 HE3 MET 24 3HE MET 24 13.532 -9.428 8.448 202 H ASP 25 H ASP 25 9.570 -3.692 6.603 203 HA ASP 25 HA ASP 25 8.189 -2.439 8.745 204 HB2 ASP 25 2HB ASP 25 9.788 -1.364 7.029 205 HB3 ASP 25 1HB ASP 25 8.389 -1.290 5.963 206 H LEU 26 H LEU 26 7.206 -3.638 5.578 207 HA LEU 26 HA LEU 26 4.540 -2.711 5.656 208 HG LEU 26 HG LEU 26 3.214 -5.139 4.171 209 HB2 LEU 26 2HB LEU 26 5.678 -3.481 3.610 210 HB3 LEU 26 1HB LEU 26 5.673 -5.119 4.233 211 HD11 LEU 26 1HD1 LEU 26 2.800 -2.764 4.495 212 HD12 LEU 26 2HD1 LEU 26 2.011 -3.340 3.026 213 HD13 LEU 26 3HD1 LEU 26 3.507 -2.409 2.918 214 HD21 LEU 26 1HD2 LEU 26 4.509 -4.344 1.568 215 HD22 LEU 26 2HD2 LEU 26 2.975 -5.197 1.739 216 HD23 LEU 26 3HD2 LEU 26 4.475 -5.966 2.261 217 H HIS 27 H HIS 27 6.055 -5.712 6.765 218 HA HIS 27 HA HIS 27 3.680 -7.035 7.502 219 HD1 HIS 27 1HD HIS 27 6.654 -9.103 10.439 220 HD2 HIS 27 2HD HIS 27 3.033 -9.318 8.398 221 HE1 HIS 27 1HE HIS 27 5.310 -10.874 11.618 222 HE2 HIS 27 2HE HIS 27 3.043 -10.795 10.518 223 HB2 HIS 27 2HB HIS 27 5.850 -8.193 7.290 224 HB3 HIS 27 1HB HIS 27 6.441 -7.329 8.706 225 H ASP 28 H ASP 28 5.784 -4.785 9.221 226 HA ASP 28 HA ASP 28 4.394 -4.843 11.686 227 HB2 ASP 28 2HB ASP 28 6.573 -3.836 11.637 228 HB3 ASP 28 1HB ASP 28 6.078 -2.691 10.392 229 H LEU 29 H LEU 29 4.085 -2.842 8.789 230 HA LEU 29 HA LEU 29 2.119 -1.078 9.732 231 HG LEU 29 HG LEU 29 0.505 -0.797 7.041 232 HB2 LEU 29 2HB LEU 29 3.448 -0.684 7.719 233 HB3 LEU 29 1HB LEU 29 2.650 -2.021 6.914 234 HD11 LEU 29 1HD1 LEU 29 2.211 1.410 8.191 235 HD12 LEU 29 2HD1 LEU 29 0.918 0.542 9.018 236 HD13 LEU 29 3HD1 LEU 29 0.543 1.593 7.652 237 HD21 LEU 29 1HD2 LEU 29 2.789 0.687 5.754 238 HD22 LEU 29 2HD2 LEU 29 1.082 0.921 5.379 239 HD23 LEU 29 3HD2 LEU 29 1.853 -0.629 5.043 240 H ALA 30 H ALA 30 1.880 -4.306 8.399 241 HA ALA 30 HA ALA 30 -0.888 -4.388 7.909 242 HB1 ALA 30 1HB ALA 30 0.687 -6.127 7.150 243 HB2 ALA 30 2HB ALA 30 -0.678 -6.807 8.033 244 HB3 ALA 30 3HB ALA 30 0.891 -6.653 8.822 245 H GLU 31 H GLU 31 0.993 -4.926 10.851 246 HA GLU 31 HA GLU 31 -1.360 -5.476 12.438 247 HB2 GLU 31 2HB GLU 31 1.540 -5.042 13.179 248 HB3 GLU 31 1HB GLU 31 0.282 -5.492 14.308 249 HG2 GLU 31 2HG GLU 31 1.228 -7.115 11.968 250 HG3 GLU 31 1HG GLU 31 1.588 -7.421 13.665 251 H ASP 32 H ASP 32 0.511 -2.795 11.459 252 HA ASP 32 HA ASP 32 -0.331 -1.070 13.659 253 HB2 ASP 32 2HB ASP 32 2.046 -1.184 12.692 254 HB3 ASP 32 1HB ASP 32 1.401 -0.318 11.303 255 H LEU 33 H LEU 33 -1.946 -2.149 11.254 256 HA LEU 33 HA LEU 33 -2.733 -0.007 9.661 257 HG LEU 33 HG LEU 33 -2.473 -2.418 8.323 258 HB2 LEU 33 2HB LEU 33 -3.813 -2.663 10.326 259 HB3 LEU 33 1HB LEU 33 -4.981 -1.499 9.727 260 HD11 LEU 33 1HD1 LEU 33 -4.055 -3.262 6.648 261 HD12 LEU 33 2HD1 LEU 33 -5.397 -2.767 7.682 262 HD13 LEU 33 3HD1 LEU 33 -4.284 -4.025 8.222 263 HD21 LEU 33 1HD2 LEU 33 -2.788 -0.046 7.902 264 HD22 LEU 33 2HD2 LEU 33 -4.489 -0.315 7.524 265 HD23 LEU 33 3HD2 LEU 33 -3.239 -0.968 6.466 266 HA PRO 34 HA PRO 34 -5.646 2.935 10.306 267 HB2 PRO 34 2HB PRO 34 -6.950 1.287 12.451 268 HB3 PRO 34 1HB PRO 34 -7.636 2.631 11.519 269 HG2 PRO 34 2HG PRO 34 -7.702 -0.064 10.734 270 HG3 PRO 34 1HG PRO 34 -7.959 1.323 9.660 271 HD2 PRO 34 2HD PRO 34 -5.838 -0.501 9.443 272 HD3 PRO 34 1HD PRO 34 -5.839 1.141 8.749 273 H THR 35 H THR 35 -3.137 1.979 11.966 274 HA THR 35 HA THR 35 -3.295 4.286 13.781 275 HB THR 35 HB THR 35 -1.226 2.087 13.864 276 HG1 THR 35 1HG THR 35 -3.654 1.649 14.352 277 HG21 THR 35 1HG2 THR 35 -2.043 4.208 15.855 278 HG22 THR 35 2HG2 THR 35 -0.545 4.170 14.925 279 HG23 THR 35 3HG2 THR 35 -0.854 2.940 16.151 280 H GLY 36 H GLY 36 -1.161 2.586 11.493 281 HA2 GLY 36 2HA GLY 36 0.259 5.138 11.047 282 HA3 GLY 36 1HA GLY 36 0.976 3.552 10.827 283 H TRP 37 H TRP 37 -2.180 4.641 9.696 284 HA TRP 37 HA TRP 37 -2.069 3.583 7.175 285 HD1 TRP 37 HD TRP 37 -3.144 7.747 6.450 286 HE1 TRP 37 1HE TRP 37 -3.584 9.690 8.083 287 HE3 TRP 37 3HE TRP 37 -4.414 5.041 10.596 288 HZ2 TRP 37 2HZ TRP 37 -4.372 10.019 10.768 289 HZ3 TRP 37 3HZ TRP 37 -5.001 6.247 12.653 290 HH2 TRP 37 HH TRP 37 -4.982 8.686 12.737 291 HB2 TRP 37 2HB TRP 37 -3.882 5.116 6.572 292 HB3 TRP 37 1HB TRP 37 -4.123 4.446 8.181 293 H ASN 38 H ASN 38 -0.529 6.490 8.279 294 HA ASN 38 HA ASN 38 -0.236 7.845 5.858 295 HB2 ASN 38 2HB ASN 38 1.371 9.168 6.989 296 HB3 ASN 38 1HB ASN 38 0.189 8.722 8.199 297 HD21 ASN 38 1HD2 ASN 38 3.460 8.436 7.149 298 HD22 ASN 38 2HD2 ASN 38 4.066 7.596 8.540 299 H ARG 39 H ARG 39 1.227 4.956 7.011 300 HA ARG 39 HA ARG 39 3.561 5.243 5.278 301 HE ARG 39 HE ARG 39 3.756 3.414 9.861 302 HB2 ARG 39 2HB ARG 39 2.719 3.293 7.377 303 HB3 ARG 39 1HB ARG 39 3.929 2.817 6.197 304 HG2 ARG 39 2HG ARG 39 5.265 4.816 6.868 305 HG3 ARG 39 1HG ARG 39 4.089 5.096 8.155 306 HD2 ARG 39 2HD ARG 39 5.655 2.543 7.807 307 HD3 ARG 39 1HD ARG 39 6.126 3.857 8.884 308 HH11 ARG 39 1HH1 ARG 39 5.973 0.970 8.613 309 HH12 ARG 39 2HH1 ARG 39 5.438 -0.245 9.737 310 HH21 ARG 39 1HH2 ARG 39 3.047 1.775 11.317 311 HH22 ARG 39 2HH2 ARG 39 3.813 0.210 11.267 312 H ILE 40 H ILE 40 0.403 4.105 4.969 313 HA ILE 40 HA ILE 40 0.668 1.626 3.765 314 HB ILE 40 HB ILE 40 -1.424 3.739 3.253 315 HG12 ILE 40 2HG1 ILE 40 -1.402 1.275 5.013 316 HG13 ILE 40 1HG1 ILE 40 -1.308 2.943 5.567 317 HG21 ILE 40 1HG2 ILE 40 -2.816 1.932 2.350 318 HG22 ILE 40 2HG2 ILE 40 -1.456 0.816 2.493 319 HG23 ILE 40 3HG2 ILE 40 -1.362 2.180 1.380 320 HD11 ILE 40 1HD1 ILE 40 -3.549 3.366 4.766 321 HD12 ILE 40 2HD1 ILE 40 -3.540 1.977 5.852 322 HD13 ILE 40 3HD1 ILE 40 -3.646 1.733 4.109 323 H MET 41 H MET 41 0.544 4.790 2.098 324 HA MET 41 HA MET 41 0.809 3.508 -0.454 325 HB2 MET 41 2HB MET 41 -0.497 5.576 -0.177 326 HB3 MET 41 1HB MET 41 0.977 6.444 0.230 327 HG2 MET 41 2HG MET 41 1.849 6.156 -1.961 328 HG3 MET 41 1HG MET 41 0.568 5.021 -2.386 329 HE1 MET 41 1HE MET 41 -2.564 7.326 -2.629 330 HE2 MET 41 2HE MET 41 -2.042 6.423 -1.208 331 HE3 MET 41 3HE MET 41 -1.926 5.689 -2.806 332 H GLU 42 H GLU 42 2.987 5.161 1.755 333 HA GLU 42 HA GLU 42 5.162 5.480 -0.014 334 HB2 GLU 42 2HB GLU 42 5.047 6.614 2.178 335 HB3 GLU 42 1HB GLU 42 5.228 5.065 2.984 336 HG2 GLU 42 2HG GLU 42 7.430 4.800 1.874 337 HG3 GLU 42 1HG GLU 42 7.250 6.427 1.222 338 H VAL 43 H VAL 43 4.631 3.040 2.510 339 HA VAL 43 HA VAL 43 6.822 1.425 1.862 340 HB VAL 43 HB VAL 43 4.231 0.545 3.151 341 HG11 VAL 43 1HG1 VAL 43 6.977 -0.689 3.210 342 HG12 VAL 43 2HG1 VAL 43 5.569 -1.326 2.361 343 HG13 VAL 43 3HG1 VAL 43 5.575 -1.246 4.124 344 HG21 VAL 43 1HG2 VAL 43 6.784 1.604 4.351 345 HG22 VAL 43 2HG2 VAL 43 5.457 0.892 5.272 346 HG23 VAL 43 3HG2 VAL 43 5.205 2.387 4.369 347 H ALA 44 H ALA 44 3.476 1.352 0.722 348 HA ALA 44 HA ALA 44 3.575 -1.024 -0.747 349 HB1 ALA 44 1HB ALA 44 1.653 -0.199 -1.957 350 HB2 ALA 44 2HB ALA 44 1.987 1.450 -1.426 351 HB3 ALA 44 3HB ALA 44 1.502 0.225 -0.253 352 H GLU 45 H GLU 45 4.290 2.308 -1.751 353 HA GLU 45 HA GLU 45 4.904 1.785 -4.437 354 HB2 GLU 45 2HB GLU 45 4.564 4.044 -3.539 355 HB3 GLU 45 1HB GLU 45 6.038 3.899 -2.595 356 HG2 GLU 45 2HG GLU 45 7.277 3.620 -4.764 357 HG3 GLU 45 1HG GLU 45 5.778 4.050 -5.587 358 H LYS 46 H LYS 46 7.028 2.002 -1.609 359 HA LYS 46 HA LYS 46 9.414 1.491 -3.009 360 HB2 LYS 46 2HB LYS 46 8.815 2.421 -0.577 361 HB3 LYS 46 1HB LYS 46 9.231 0.767 -0.149 362 HG2 LYS 46 2HG LYS 46 11.418 0.991 -0.900 363 HG3 LYS 46 1HG LYS 46 11.035 2.416 -1.866 364 HD2 LYS 46 2HD LYS 46 11.035 2.271 1.141 365 HD3 LYS 46 1HD LYS 46 12.275 3.012 0.138 366 HE2 LYS 46 2HE LYS 46 9.398 3.879 0.317 367 HE3 LYS 46 1HE LYS 46 10.770 4.698 1.058 368 HZ1 LYS 46 1HZ LYS 46 11.676 5.012 -1.213 369 HZ2 LYS 46 2HZ LYS 46 10.208 5.824 -0.946 370 HZ3 LYS 46 3HZ LYS 46 10.231 4.387 -1.847 371 H THR 47 H THR 47 7.216 -0.663 -1.238 372 HA THR 47 HA THR 47 8.791 -3.003 -1.511 373 HB THR 47 HB THR 47 5.777 -2.821 -1.249 374 HG1 THR 47 1HG THR 47 6.637 -1.782 0.508 375 HG21 THR 47 1HG2 THR 47 6.549 -5.045 -1.900 376 HG22 THR 47 2HG2 THR 47 5.984 -5.051 -0.228 377 HG23 THR 47 3HG2 THR 47 7.714 -5.040 -0.575 378 H TYR 48 H TYR 48 6.186 -1.597 -3.450 379 HA TYR 48 HA TYR 48 5.968 -3.549 -5.423 380 HD1 TYR 48 2HD TYR 48 4.090 -3.331 -7.471 381 HD2 TYR 48 1HD TYR 48 6.174 0.379 -7.509 382 HE1 TYR 48 2HE TYR 48 3.849 -3.222 -9.915 383 HE2 TYR 48 1HE TYR 48 5.934 0.497 -9.951 384 HH TYR 48 HH TYR 48 3.829 -1.454 -11.684 385 HB2 TYR 48 2HB TYR 48 4.345 -1.820 -5.400 386 HB3 TYR 48 1HB TYR 48 5.569 -0.559 -5.465 387 H GLU 49 H GLU 49 7.996 -0.625 -5.388 388 HA GLU 49 HA GLU 49 9.319 -1.084 -7.798 389 HB2 GLU 49 2HB GLU 49 9.823 0.556 -5.381 390 HB3 GLU 49 1HB GLU 49 11.179 0.290 -6.463 391 HG2 GLU 49 2HG GLU 49 8.516 1.435 -7.262 392 HG3 GLU 49 1HG GLU 49 9.981 2.369 -6.956 393 H ALA 50 H ALA 50 10.249 -2.025 -4.501 394 HA ALA 50 HA ALA 50 12.776 -3.038 -5.097 395 HB1 ALA 50 1HB ALA 50 10.878 -3.974 -2.947 396 HB2 ALA 50 2HB ALA 50 11.995 -2.615 -2.817 397 HB3 ALA 50 3HB ALA 50 12.616 -4.257 -2.989 398 H TYR 51 H TYR 51 9.683 -4.814 -4.899 399 HA TYR 51 HA TYR 51 10.915 -7.273 -5.653 400 HD1 TYR 51 2HD TYR 51 9.818 -9.639 -4.806 401 HD2 TYR 51 1HD TYR 51 8.286 -6.194 -2.848 402 HE1 TYR 51 2HE TYR 51 10.183 -10.722 -2.633 403 HE2 TYR 51 1HE TYR 51 8.648 -7.267 -0.663 404 HH TYR 51 HH TYR 51 10.541 -10.031 -0.261 405 HB2 TYR 51 2HB TYR 51 8.098 -6.387 -5.197 406 HB3 TYR 51 1HB TYR 51 8.405 -7.925 -5.997 407 H ARG 52 H ARG 52 9.146 -4.766 -7.409 408 HA ARG 52 HA ARG 52 8.954 -6.180 -9.850 409 HE ARG 52 HE ARG 52 9.210 -2.443 -13.446 410 HB2 ARG 52 2HB ARG 52 7.618 -4.214 -9.611 411 HB3 ARG 52 1HB ARG 52 9.028 -3.220 -9.261 412 HG2 ARG 52 2HG ARG 52 9.843 -3.584 -11.540 413 HG3 ARG 52 1HG ARG 52 8.417 -4.557 -11.885 414 HD2 ARG 52 2HD ARG 52 6.980 -2.674 -11.659 415 HD3 ARG 52 1HD ARG 52 8.281 -1.685 -10.994 416 HH11 ARG 52 1HH1 ARG 52 6.262 -0.839 -12.368 417 HH12 ARG 52 2HH1 ARG 52 6.151 0.144 -13.798 418 HH21 ARG 52 1HH2 ARG 52 9.015 -1.170 -15.309 419 HH22 ARG 52 2HH2 ARG 52 7.701 -0.045 -15.459 420 H GLN 53 H GLN 53 11.351 -3.843 -8.668 421 HA GLN 53 HA GLN 53 13.013 -3.893 -10.941 422 HB2 GLN 53 2HB GLN 53 13.083 -2.175 -9.125 423 HB3 GLN 53 1HB GLN 53 13.806 -3.371 -8.061 424 HG2 GLN 53 2HG GLN 53 15.505 -1.909 -8.930 425 HG3 GLN 53 1HG GLN 53 15.732 -3.536 -9.572 426 HE21 GLN 53 1HE2 GLN 53 14.742 -0.276 -10.296 427 HE22 GLN 53 2HE2 GLN 53 14.831 -0.422 -12.022 428 H LEU 54 H LEU 54 12.991 -5.857 -7.986 429 HA LEU 54 HA LEU 54 15.371 -7.258 -8.416 430 HG LEU 54 HG LEU 54 14.454 -10.077 -7.455 431 HB2 LEU 54 2HB LEU 54 14.078 -7.304 -6.322 432 HB3 LEU 54 1HB LEU 54 12.830 -8.241 -7.118 433 HD11 LEU 54 1HD1 LEU 54 16.267 -8.355 -5.769 434 HD12 LEU 54 2HD1 LEU 54 16.509 -8.768 -7.466 435 HD13 LEU 54 3HD1 LEU 54 16.575 -10.027 -6.232 436 HD21 LEU 54 1HD2 LEU 54 12.968 -10.114 -5.542 437 HD22 LEU 54 2HD2 LEU 54 14.109 -9.141 -4.613 438 HD23 LEU 54 3HD2 LEU 54 14.542 -10.778 -5.104 439 H ASP 55 H ASP 55 12.069 -7.991 -9.482 440 HA ASP 55 HA ASP 55 12.779 -10.410 -10.833 441 HB2 ASP 55 2HB ASP 55 10.496 -10.071 -10.093 442 HB3 ASP 55 1HB ASP 55 10.355 -8.608 -11.062 443 H GLU 56 H GLU 56 12.136 -7.085 -11.926 444 HA GLU 56 HA GLU 56 12.545 -7.547 -14.663 445 HB2 GLU 56 2HB GLU 56 12.667 -5.125 -12.914 446 HB3 GLU 56 1HB GLU 56 13.165 -5.002 -14.591 447 HG2 GLU 56 2HG GLU 56 10.874 -6.147 -15.066 448 HG3 GLU 56 1HG GLU 56 10.474 -5.580 -13.445 449 H PHE 57 H PHE 57 14.802 -6.732 -12.087 450 HA PHE 57 HA PHE 57 17.134 -6.434 -13.601 451 HD1 PHE 57 1HD PHE 57 19.008 -5.080 -12.394 452 HD2 PHE 57 2HD PHE 57 18.771 -8.796 -10.342 453 HE1 PHE 57 1HE PHE 57 21.457 -5.101 -12.157 454 HE2 PHE 57 2HE PHE 57 21.216 -8.828 -10.100 455 HZ PHE 57 HZ PHE 57 22.561 -6.978 -11.005 456 HB2 PHE 57 2HB PHE 57 16.900 -5.940 -11.167 457 HB3 PHE 57 1HB PHE 57 16.835 -7.665 -10.846 458 H ARG 58 H ARG 58 15.539 -9.282 -12.290 459 HA ARG 58 HA ARG 58 17.466 -11.162 -13.147 460 HE ARG 58 HE ARG 58 17.896 -12.659 -13.260 461 HB2 ARG 58 2HB ARG 58 14.754 -11.226 -11.999 462 HB3 ARG 58 1HB ARG 58 15.169 -12.612 -12.998 463 HG2 ARG 58 2HG ARG 58 17.084 -11.705 -10.907 464 HG3 ARG 58 1HG ARG 58 15.653 -12.625 -10.435 465 HD2 ARG 58 2HD ARG 58 17.657 -14.035 -10.822 466 HD3 ARG 58 1HD ARG 58 16.289 -14.449 -11.851 467 HH11 ARG 58 1HH1 ARG 58 18.199 -15.886 -11.939 468 HH12 ARG 58 2HH1 ARG 58 19.221 -16.453 -13.230 469 HH21 ARG 58 1HH2 ARG 58 19.261 -13.397 -14.942 470 HH22 ARG 58 2HH2 ARG 58 19.852 -15.032 -14.926 471 H LYS 59 H LYS 59 14.464 -9.959 -14.611 472 HA LYS 59 HA LYS 59 14.457 -11.629 -16.875 473 HB2 LYS 59 2HB LYS 59 13.558 -8.740 -16.781 474 HB3 LYS 59 1HB LYS 59 13.044 -9.957 -17.934 475 HG2 LYS 59 2HG LYS 59 12.445 -9.994 -14.983 476 HG3 LYS 59 1HG LYS 59 11.339 -9.459 -16.247 477 HD2 LYS 59 2HD LYS 59 11.598 -11.777 -17.249 478 HD3 LYS 59 1HD LYS 59 12.386 -12.233 -15.735 479 HE2 LYS 59 2HE LYS 59 10.370 -11.441 -14.516 480 HE3 LYS 59 1HE LYS 59 9.591 -11.151 -16.067 481 HZ1 LYS 59 1HZ LYS 59 9.957 -13.559 -16.552 482 HZ2 LYS 59 2HZ LYS 59 8.864 -13.240 -15.300 483 HZ3 LYS 59 3HZ LYS 59 10.435 -13.754 -14.934 484 H SER 60 H SER 60 15.791 -8.369 -16.433 485 HA SER 60 HA SER 60 16.847 -8.051 -19.002 486 HG SER 60 HG SER 60 17.942 -6.049 -19.175 487 HB2 SER 60 2HB SER 60 16.497 -6.248 -17.284 488 HB3 SER 60 1HB SER 60 17.929 -6.844 -16.449 489 H THR 61 H THR 61 18.324 -9.266 -16.036 490 HA THR 61 HA THR 61 20.902 -9.664 -17.102 491 HB THR 61 HB THR 61 19.593 -11.094 -14.776 492 HG1 THR 61 1HG THR 61 19.639 -8.889 -14.377 493 HG21 THR 61 1HG2 THR 61 22.519 -10.734 -15.457 494 HG22 THR 61 2HG2 THR 61 21.612 -12.241 -15.587 495 HG23 THR 61 3HG2 THR 61 21.881 -11.507 -14.005 496 H ALA 62 H ALA 62 18.066 -11.788 -16.905 497 HA ALA 62 HA ALA 62 19.330 -14.203 -17.549 498 HB1 ALA 62 1HB ALA 62 17.045 -14.067 -16.662 499 HB2 ALA 62 2HB ALA 62 17.122 -15.031 -18.138 500 HB3 ALA 62 3HB ALA 62 16.500 -13.382 -18.193 501 H SER 63 H SER 63 17.940 -11.710 -19.633 502 HA SER 63 HA SER 63 18.208 -13.052 -22.080 503 HG SER 63 HG SER 63 16.274 -10.090 -21.371 504 HB2 SER 63 2HB SER 63 18.383 -10.072 -21.563 505 HB3 SER 63 1HB SER 63 18.004 -10.844 -23.105 506 H LEU 64 H LEU 64 20.518 -11.095 -20.253 507 HA LEU 64 HA LEU 64 22.496 -11.242 -22.388 508 HG LEU 64 HG LEU 64 23.989 -8.207 -20.983 509 HB2 LEU 64 2HB LEU 64 21.934 -9.343 -20.550 510 HB3 LEU 64 1HB LEU 64 23.215 -10.192 -19.714 511 HD11 LEU 64 1HD1 LEU 64 25.568 -9.972 -20.490 512 HD12 LEU 64 2HD1 LEU 64 25.897 -9.281 -22.078 513 HD13 LEU 64 3HD1 LEU 64 25.086 -10.841 -21.946 514 HD21 LEU 64 1HD2 LEU 64 22.457 -8.305 -22.848 515 HD22 LEU 64 2HD2 LEU 64 23.172 -9.827 -23.387 516 HD23 LEU 64 3HD2 LEU 64 24.123 -8.342 -23.425 517 H GLU 65 H GLU 65 21.588 -12.953 -19.605 518 HA GLU 65 HA GLU 65 24.115 -14.022 -18.830 519 HB2 GLU 65 2HB GLU 65 22.105 -13.817 -17.363 520 HB3 GLU 65 1HB GLU 65 21.336 -15.082 -18.295 521 HG2 GLU 65 2HG GLU 65 23.044 -16.665 -17.605 522 HG3 GLU 65 1HG GLU 65 23.859 -15.398 -16.689 523 H HIS 66 H HIS 66 22.042 -14.619 -21.361 524 HA HIS 66 HA HIS 66 21.852 -16.210 -22.990 525 HD1 HIS 66 1HD HIS 66 23.468 -16.340 -25.354 526 HD2 HIS 66 2HD HIS 66 24.328 -19.818 -23.244 527 HE1 HIS 66 1HE HIS 66 23.658 -18.155 -27.088 528 HE2 HIS 66 2HE HIS 66 24.424 -20.182 -25.803 529 HB2 HIS 66 2HB HIS 66 24.412 -16.032 -22.864 530 HB3 HIS 66 1HB HIS 66 24.359 -17.469 -21.857 531 H HIS 67 H HIS 67 20.361 -16.433 -20.816 532 HA HIS 67 HA HIS 67 20.655 -18.791 -19.264 533 HD1 HIS 67 1HD HIS 67 16.306 -18.340 -19.072 534 HD2 HIS 67 2HD HIS 67 19.440 -18.791 -16.370 535 HE1 HIS 67 1HE HIS 67 15.371 -19.686 -17.164 536 HE2 HIS 67 2HE HIS 67 17.247 -19.850 -15.491 537 HB2 HIS 67 2HB HIS 67 19.565 -16.769 -18.426 538 HB3 HIS 67 1HB HIS 67 18.308 -16.917 -19.644 539 H HIS 68 H HIS 68 19.642 -18.444 -22.417 540 HA HIS 68 HA HIS 68 18.551 -19.756 -23.908 541 HD1 HIS 68 1HD HIS 68 18.960 -22.622 -25.225 542 HD2 HIS 68 2HD HIS 68 15.983 -22.929 -22.334 543 HE1 HIS 68 1HE HIS 68 17.242 -24.189 -26.181 544 HE2 HIS 68 2HE HIS 68 15.377 -24.229 -24.489 545 HB2 HIS 68 2HB HIS 68 19.638 -21.700 -22.910 546 HB3 HIS 68 1HB HIS 68 18.437 -21.749 -21.626 547 H HIS 69 H HIS 69 16.969 -18.183 -23.947 548 HA HIS 69 HA HIS 69 14.824 -17.456 -24.003 549 HD1 HIS 69 1HD HIS 69 11.976 -18.438 -25.187 550 HD2 HIS 69 2HD HIS 69 12.096 -19.296 -21.119 551 HE1 HIS 69 1HE HIS 69 9.649 -18.002 -24.329 552 HE2 HIS 69 2HE HIS 69 9.694 -18.826 -21.943 553 HB2 HIS 69 2HB HIS 69 14.088 -19.717 -24.434 554 HB3 HIS 69 1HB HIS 69 14.225 -20.135 -22.732 555 H HIS 70 H HIS 70 13.806 -15.990 -22.778 556 HA HIS 70 HA HIS 70 14.213 -16.162 -19.867 557 HD1 HIS 70 1HD HIS 70 15.255 -13.956 -23.417 558 HD2 HIS 70 2HD HIS 70 12.547 -11.950 -20.977 559 HE1 HIS 70 1HE HIS 70 14.230 -12.180 -24.861 560 HE2 HIS 70 2HE HIS 70 12.469 -11.098 -23.425 561 HB2 HIS 70 2HB HIS 70 14.287 -13.712 -19.776 562 HB3 HIS 70 1HB HIS 70 15.560 -14.343 -20.805 563 H HIS 71 H HIS 71 12.409 -16.609 -18.871 564 HA HIS 71 HA HIS 71 9.880 -15.627 -20.014 565 HD1 HIS 71 1HD HIS 71 8.519 -18.161 -16.563 566 HD2 HIS 71 2HD HIS 71 7.264 -16.959 -20.345 567 HE1 HIS 71 1HE HIS 71 6.003 -18.141 -16.473 568 HE2 HIS 71 2HE HIS 71 5.277 -17.219 -18.703 569 HB2 HIS 71 2HB HIS 71 9.990 -18.064 -19.842 570 HB3 HIS 71 1HB HIS 71 10.412 -17.948 -18.138 571 HA MET 1 HA MET 1 -25.723 25.150 4.617 572 H1 MET 1 1H MET 1 -24.945 27.002 6.784 573 H2 MET 1 2H MET 1 -26.209 27.183 5.663 574 H3 MET 1 3H MET 1 -24.599 27.272 5.149 575 HB2 MET 1 2HB MET 1 -23.213 25.315 6.243 576 HB3 MET 1 1HB MET 1 -23.816 23.747 5.724 577 HG2 MET 1 2HG MET 1 -22.133 24.614 4.202 578 HG3 MET 1 1HG MET 1 -23.700 24.450 3.409 579 HE1 MET 1 1HE MET 1 -21.310 26.119 2.163 580 HE2 MET 1 2HE MET 1 -22.171 27.557 1.609 581 HE3 MET 1 3HE MET 1 -22.891 25.960 1.402 582 H SER 2 H SER 2 -27.321 23.956 5.298 583 HA SER 2 HA SER 2 -27.890 23.593 8.101 584 HG SER 2 HG SER 2 -29.159 24.831 6.304 585 HB2 SER 2 2HB SER 2 -29.195 22.268 5.713 586 HB3 SER 2 1HB SER 2 -29.857 22.409 7.342 587 H GLU 3 H GLU 3 -27.842 21.593 9.215 588 HA GLU 3 HA GLU 3 -26.055 19.609 8.004 589 HB2 GLU 3 2HB GLU 3 -24.850 20.821 9.692 590 HB3 GLU 3 1HB GLU 3 -26.176 20.663 10.829 591 HG2 GLU 3 2HG GLU 3 -25.101 18.112 9.887 592 HG3 GLU 3 1HG GLU 3 -23.950 19.105 10.781 593 H GLY 4 H GLY 4 -26.507 17.488 8.355 594 HA2 GLY 4 2HA GLY 4 -28.873 16.803 9.949 595 HA3 GLY 4 1HA GLY 4 -28.764 16.250 8.285 596 H ALA 5 H ALA 5 -28.456 15.215 11.296 597 HA ALA 5 HA ALA 5 -25.939 13.943 11.386 598 HB1 ALA 5 1HB ALA 5 -27.306 14.387 13.384 599 HB2 ALA 5 2HB ALA 5 -26.819 12.697 13.270 600 HB3 ALA 5 3HB ALA 5 -28.463 13.169 12.845 601 H GLU 6 H GLU 6 -29.049 13.022 10.110 602 HA GLU 6 HA GLU 6 -28.657 10.291 9.676 603 HB2 GLU 6 2HB GLU 6 -30.202 12.325 8.066 604 HB3 GLU 6 1HB GLU 6 -30.349 10.583 7.869 605 HG2 GLU 6 2HG GLU 6 -31.347 10.315 9.935 606 HG3 GLU 6 1HG GLU 6 -30.809 11.886 10.516 607 H GLU 7 H GLU 7 -28.193 12.978 7.448 608 HA GLU 7 HA GLU 7 -27.019 11.507 5.351 609 HB2 GLU 7 2HB GLU 7 -27.988 13.971 5.504 610 HB3 GLU 7 1HB GLU 7 -26.303 14.374 5.802 611 HG2 GLU 7 2HG GLU 7 -26.785 14.636 3.472 612 HG3 GLU 7 1HG GLU 7 -25.698 13.264 3.689 613 H LEU 8 H LEU 8 -25.683 13.078 8.180 614 HA LEU 8 HA LEU 8 -22.972 12.950 7.483 615 HG LEU 8 HG LEU 8 -21.930 12.347 10.197 616 HB2 LEU 8 2HB LEU 8 -23.879 14.386 9.243 617 HB3 LEU 8 1HB LEU 8 -24.368 12.975 10.160 618 HD11 LEU 8 1HD1 LEU 8 -21.643 15.239 9.409 619 HD12 LEU 8 2HD1 LEU 8 -21.171 13.848 8.436 620 HD13 LEU 8 3HD1 LEU 8 -20.333 14.187 9.950 621 HD21 LEU 8 1HD2 LEU 8 -23.142 13.182 12.146 622 HD22 LEU 8 2HD2 LEU 8 -22.813 14.839 11.641 623 HD23 LEU 8 3HD2 LEU 8 -21.486 13.786 12.126 624 H LYS 9 H LYS 9 -25.128 10.822 9.284 625 HA LYS 9 HA LYS 9 -23.171 8.851 9.891 626 HB2 LYS 9 2HB LYS 9 -25.405 9.308 11.042 627 HB3 LYS 9 1HB LYS 9 -26.145 8.415 9.729 628 HG2 LYS 9 2HG LYS 9 -25.075 6.406 10.346 629 HG3 LYS 9 1HG LYS 9 -23.987 7.239 11.459 630 HD2 LYS 9 2HD LYS 9 -25.912 7.841 12.865 631 HD3 LYS 9 1HD LYS 9 -26.980 6.978 11.757 632 HE2 LYS 9 2HE LYS 9 -25.941 4.890 12.275 633 HE3 LYS 9 1HE LYS 9 -24.669 5.692 13.197 634 HZ1 LYS 9 1HZ LYS 9 -26.457 4.658 14.557 635 HZ2 LYS 9 2HZ LYS 9 -27.542 5.802 13.938 636 HZ3 LYS 9 3HZ LYS 9 -26.214 6.308 14.864 637 H ALA 10 H ALA 10 -25.458 9.314 7.277 638 HA ALA 10 HA ALA 10 -25.145 6.841 5.979 639 HB1 ALA 10 1HB ALA 10 -25.698 9.559 4.789 640 HB2 ALA 10 2HB ALA 10 -26.897 8.404 5.367 641 HB3 ALA 10 3HB ALA 10 -25.912 8.021 3.955 642 H LYS 11 H LYS 11 -23.393 9.898 5.624 643 HA LYS 11 HA LYS 11 -21.480 9.066 3.754 644 HB2 LYS 11 2HB LYS 11 -21.752 11.396 4.367 645 HB3 LYS 11 1HB LYS 11 -21.262 11.059 6.015 646 HG2 LYS 11 2HG LYS 11 -19.459 12.122 4.815 647 HG3 LYS 11 1HG LYS 11 -19.019 10.466 5.228 648 HD2 LYS 11 2HD LYS 11 -19.560 9.755 2.945 649 HD3 LYS 11 1HD LYS 11 -20.000 11.414 2.534 650 HE2 LYS 11 2HE LYS 11 -17.718 12.138 3.058 651 HE3 LYS 11 1HE LYS 11 -17.283 10.476 3.441 652 HZ1 LYS 11 1HZ LYS 11 -17.717 9.849 1.158 653 HZ2 LYS 11 2HZ LYS 11 -16.590 11.113 1.210 654 HZ3 LYS 11 3HZ LYS 11 -18.200 11.435 0.779 655 H LEU 12 H LEU 12 -21.327 9.059 7.299 656 HA LEU 12 HA LEU 12 -18.822 7.857 7.596 657 HG LEU 12 HG LEU 12 -19.689 5.895 10.004 658 HB2 LEU 12 2HB LEU 12 -20.005 8.852 9.463 659 HB3 LEU 12 1HB LEU 12 -21.277 7.652 9.341 660 HD11 LEU 12 1HD1 LEU 12 -17.470 6.500 10.832 661 HD12 LEU 12 2HD1 LEU 12 -17.730 8.166 10.314 662 HD13 LEU 12 3HD1 LEU 12 -17.645 6.874 9.117 663 HD21 LEU 12 1HD2 LEU 12 -19.725 8.245 11.893 664 HD22 LEU 12 2HD2 LEU 12 -19.441 6.559 12.330 665 HD23 LEU 12 3HD2 LEU 12 -21.013 7.055 11.705 666 H LYS 13 H LYS 13 -22.023 6.390 7.247 667 HA LYS 13 HA LYS 13 -21.358 3.704 7.549 668 HB2 LYS 13 2HB LYS 13 -23.669 4.606 7.290 669 HB3 LYS 13 1HB LYS 13 -23.347 4.862 5.585 670 HG2 LYS 13 2HG LYS 13 -22.964 2.429 5.335 671 HG3 LYS 13 1HG LYS 13 -23.441 2.220 7.024 672 HD2 LYS 13 2HD LYS 13 -25.629 3.226 6.500 673 HD3 LYS 13 1HD LYS 13 -25.144 3.368 4.809 674 HE2 LYS 13 2HE LYS 13 -24.843 0.913 4.736 675 HE3 LYS 13 1HE LYS 13 -25.448 0.818 6.389 676 HZ1 LYS 13 1HZ LYS 13 -26.955 1.838 4.039 677 HZ2 LYS 13 2HZ LYS 13 -27.545 1.780 5.627 678 HZ3 LYS 13 3HZ LYS 13 -27.193 0.342 4.800 679 H LYS 14 H LYS 14 -21.421 5.656 4.585 680 HA LYS 14 HA LYS 14 -20.486 3.781 2.783 681 HB2 LYS 14 2HB LYS 14 -21.384 5.959 2.126 682 HB3 LYS 14 1HB LYS 14 -20.006 6.767 2.861 683 HG2 LYS 14 2HG LYS 14 -19.851 6.610 0.408 684 HG3 LYS 14 1HG LYS 14 -18.512 5.823 1.244 685 HD2 LYS 14 2HD LYS 14 -19.141 4.342 -0.462 686 HD3 LYS 14 1HD LYS 14 -19.825 3.666 1.006 687 HE2 LYS 14 2HE LYS 14 -21.996 4.622 0.441 688 HE3 LYS 14 1HE LYS 14 -21.315 5.319 -1.029 689 HZ1 LYS 14 1HZ LYS 14 -22.478 3.251 -1.496 690 HZ2 LYS 14 2HZ LYS 14 -21.487 2.419 -0.403 691 HZ3 LYS 14 3HZ LYS 14 -20.821 3.079 -1.812 692 H LEU 15 H LEU 15 -18.605 6.116 4.709 693 HA LEU 15 HA LEU 15 -16.078 5.413 3.713 694 HG LEU 15 HG LEU 15 -17.390 8.059 4.476 695 HB2 LEU 15 2HB LEU 15 -16.879 6.573 6.380 696 HB3 LEU 15 1HB LEU 15 -15.221 6.451 5.825 697 HD11 LEU 15 1HD1 LEU 15 -16.159 10.001 5.280 698 HD12 LEU 15 2HD1 LEU 15 -15.030 8.943 6.126 699 HD13 LEU 15 3HD1 LEU 15 -16.720 9.009 6.624 700 HD21 LEU 15 1HD2 LEU 15 -15.735 7.220 2.897 701 HD22 LEU 15 2HD2 LEU 15 -14.436 7.851 3.911 702 HD23 LEU 15 3HD2 LEU 15 -15.560 8.961 3.127 703 H ASN 16 H ASN 16 -17.747 4.346 6.655 704 HA ASN 16 HA ASN 16 -15.809 2.634 7.673 705 HB2 ASN 16 2HB ASN 16 -18.003 3.398 8.739 706 HB3 ASN 16 1HB ASN 16 -18.776 2.107 7.829 707 HD21 ASN 16 1HD2 ASN 16 -18.694 2.412 10.649 708 HD22 ASN 16 2HD2 ASN 16 -17.856 1.050 11.304 709 H ALA 17 H ALA 17 -18.559 1.839 5.560 710 HA ALA 17 HA ALA 17 -17.954 -0.909 5.337 711 HB1 ALA 17 1HB ALA 17 -19.574 0.849 3.501 712 HB2 ALA 17 2HB ALA 17 -20.179 -0.044 4.895 713 HB3 ALA 17 3HB ALA 17 -19.565 -0.913 3.489 714 H GLN 18 H GLN 18 -17.111 1.874 3.340 715 HA GLN 18 HA GLN 18 -16.028 0.428 1.177 716 HB2 GLN 18 2HB GLN 18 -16.698 2.824 1.115 717 HB3 GLN 18 1HB GLN 18 -15.306 3.208 2.113 718 HG2 GLN 18 2HG GLN 18 -13.797 2.573 0.385 719 HG3 GLN 18 1HG GLN 18 -15.109 1.916 -0.594 720 HE21 GLN 18 1HE2 GLN 18 -13.545 4.807 0.536 721 HE22 GLN 18 2HE2 GLN 18 -14.326 5.901 -0.555 722 H ALA 19 H ALA 19 -14.491 1.895 4.027 723 HA ALA 19 HA ALA 19 -11.851 1.192 3.352 724 HB1 ALA 19 1HB ALA 19 -11.320 1.654 5.686 725 HB2 ALA 19 2HB ALA 19 -13.038 1.641 6.087 726 HB3 ALA 19 3HB ALA 19 -12.388 2.890 5.023 727 H THR 20 H THR 20 -14.348 -0.506 5.164 728 HA THR 20 HA THR 20 -12.733 -2.628 6.080 729 HB THR 20 HB THR 20 -15.700 -2.714 5.492 730 HG1 THR 20 1HG THR 20 -15.449 -1.033 6.904 731 HG21 THR 20 1HG2 THR 20 -13.984 -4.297 7.412 732 HG22 THR 20 2HG2 THR 20 -14.726 -4.907 5.932 733 HG23 THR 20 3HG2 THR 20 -15.740 -4.397 7.282 734 H ALA 21 H ALA 21 -14.625 -2.164 3.123 735 HA ALA 21 HA ALA 21 -14.336 -4.795 2.126 736 HB1 ALA 21 1HB ALA 21 -16.049 -3.259 1.310 737 HB2 ALA 21 2HB ALA 21 -15.047 -3.865 -0.009 738 HB3 ALA 21 3HB ALA 21 -14.798 -2.233 0.608 739 H LEU 22 H LEU 22 -12.418 -1.854 1.730 740 HA LEU 22 HA LEU 22 -10.635 -2.872 -0.205 741 HG LEU 22 HG LEU 22 -9.942 0.698 -0.372 742 HB2 LEU 22 2HB LEU 22 -10.699 -0.538 1.606 743 HB3 LEU 22 1HB LEU 22 -9.106 -1.049 1.084 744 HD11 LEU 22 1HD1 LEU 22 -9.716 -0.435 -2.528 745 HD12 LEU 22 2HD1 LEU 22 -9.935 -1.993 -1.731 746 HD13 LEU 22 3HD1 LEU 22 -8.520 -1.008 -1.364 747 HD21 LEU 22 1HD2 LEU 22 -12.232 -1.167 -0.971 748 HD22 LEU 22 2HD2 LEU 22 -11.915 0.380 -1.760 749 HD23 LEU 22 3HD2 LEU 22 -12.334 0.331 -0.047 750 H LYS 23 H LYS 23 -10.652 -3.039 3.311 751 HA LYS 23 HA LYS 23 -8.012 -4.003 3.606 752 HB2 LYS 23 2HB LYS 23 -9.418 -3.112 5.481 753 HB3 LYS 23 1HB LYS 23 -10.356 -4.600 5.420 754 HG2 LYS 23 2HG LYS 23 -8.293 -5.877 5.897 755 HG3 LYS 23 1HG LYS 23 -7.423 -4.351 6.058 756 HD2 LYS 23 2HD LYS 23 -9.754 -5.251 7.749 757 HD3 LYS 23 1HD LYS 23 -8.059 -5.256 8.237 758 HE2 LYS 23 2HE LYS 23 -8.025 -2.787 7.877 759 HE3 LYS 23 1HE LYS 23 -9.764 -2.854 7.590 760 HZ1 LYS 23 1HZ LYS 23 -9.741 -2.397 9.809 761 HZ2 LYS 23 2HZ LYS 23 -8.274 -3.196 10.084 762 HZ3 LYS 23 3HZ LYS 23 -9.696 -4.091 9.893 763 H MET 24 H MET 24 -11.041 -5.557 2.819 764 HA MET 24 HA MET 24 -10.230 -8.242 3.216 765 HB2 MET 24 2HB MET 24 -12.278 -7.136 1.280 766 HB3 MET 24 1HB MET 24 -12.118 -8.828 1.735 767 HG2 MET 24 2HG MET 24 -12.674 -8.255 4.043 768 HG3 MET 24 1HG MET 24 -12.824 -6.559 3.586 769 HE1 MET 24 1HE MET 24 -15.126 -8.157 5.118 770 HE2 MET 24 2HE MET 24 -16.544 -7.593 4.236 771 HE3 MET 24 3HE MET 24 -15.255 -6.462 4.644 772 H ASP 25 H ASP 25 -10.320 -6.182 0.326 773 HA ASP 25 HA ASP 25 -9.084 -8.002 -1.430 774 HB2 ASP 25 2HB ASP 25 -9.333 -5.002 -1.433 775 HB3 ASP 25 1HB ASP 25 -8.443 -5.846 -2.693 776 H LEU 26 H LEU 26 -7.784 -5.538 0.725 777 HA LEU 26 HA LEU 26 -5.076 -5.768 -0.020 778 HG LEU 26 HG LEU 26 -3.785 -5.393 2.784 779 HB2 LEU 26 2HB LEU 26 -6.000 -3.925 1.343 780 HB3 LEU 26 1HB LEU 26 -6.237 -5.042 2.673 781 HD11 LEU 26 1HD1 LEU 26 -3.686 -3.192 0.726 782 HD12 LEU 26 2HD1 LEU 26 -3.257 -4.880 0.455 783 HD13 LEU 26 3HD1 LEU 26 -2.303 -3.894 1.563 784 HD21 LEU 26 1HD2 LEU 26 -4.870 -3.743 4.217 785 HD22 LEU 26 2HD2 LEU 26 -4.663 -2.515 2.968 786 HD23 LEU 26 3HD2 LEU 26 -3.250 -3.219 3.754 787 H HIS 27 H HIS 27 -6.998 -7.444 2.437 788 HA HIS 27 HA HIS 27 -5.002 -9.029 3.566 789 HD1 HIS 27 1HD HIS 27 -8.878 -11.739 3.511 790 HD2 HIS 27 2HD HIS 27 -5.103 -11.329 5.215 791 HE1 HIS 27 1HE HIS 27 -8.295 -14.007 4.429 792 HE2 HIS 27 2HE HIS 27 -5.911 -13.791 5.217 793 HB2 HIS 27 2HB HIS 27 -7.126 -8.987 4.625 794 HB3 HIS 27 1HB HIS 27 -7.957 -9.482 3.156 795 H ASP 28 H ASP 28 -7.065 -9.669 0.752 796 HA ASP 28 HA ASP 28 -6.142 -12.238 0.153 797 HB2 ASP 28 2HB ASP 28 -8.133 -11.310 -0.889 798 HB3 ASP 28 1HB ASP 28 -7.170 -10.080 -1.701 799 H LEU 29 H LEU 29 -4.800 -9.100 -0.589 800 HA LEU 29 HA LEU 29 -2.802 -10.154 -2.384 801 HG LEU 29 HG LEU 29 -0.842 -7.741 -2.023 802 HB2 LEU 29 2HB LEU 29 -3.772 -7.931 -2.723 803 HB3 LEU 29 1HB LEU 29 -3.140 -7.414 -1.172 804 HD11 LEU 29 1HD1 LEU 29 -2.234 -8.293 -4.641 805 HD12 LEU 29 2HD1 LEU 29 -1.280 -9.440 -3.697 806 HD13 LEU 29 3HD1 LEU 29 -0.500 -8.037 -4.432 807 HD21 LEU 29 1HD2 LEU 29 -0.834 -5.794 -3.493 808 HD22 LEU 29 2HD2 LEU 29 -1.901 -5.549 -2.110 809 HD23 LEU 29 3HD2 LEU 29 -2.580 -5.931 -3.694 810 H ALA 30 H ALA 30 -2.814 -8.696 0.866 811 HA ALA 30 HA ALA 30 -0.031 -8.829 1.268 812 HB1 ALA 30 1HB ALA 30 -2.207 -8.798 3.349 813 HB2 ALA 30 2HB ALA 30 -1.525 -7.376 2.559 814 HB3 ALA 30 3HB ALA 30 -0.512 -8.379 3.599 815 H GLU 31 H GLU 31 -2.589 -11.158 1.922 816 HA GLU 31 HA GLU 31 -0.951 -12.913 3.467 817 HB2 GLU 31 2HB GLU 31 -3.470 -12.822 3.534 818 HB3 GLU 31 1HB GLU 31 -3.479 -13.605 1.961 819 HG2 GLU 31 2HG GLU 31 -2.352 -15.544 2.906 820 HG3 GLU 31 1HG GLU 31 -2.312 -14.759 4.483 821 H ASP 32 H ASP 32 -1.359 -12.313 0.116 822 HA ASP 32 HA ASP 32 0.087 -14.791 -0.541 823 HB2 ASP 32 2HB ASP 32 -2.296 -14.360 -1.504 824 HB3 ASP 32 1HB ASP 32 -1.469 -13.243 -2.585 825 H LEU 33 H LEU 33 1.033 -12.146 0.327 826 HA LEU 33 HA LEU 33 2.282 -10.600 -1.509 827 HG LEU 33 HG LEU 33 1.503 -9.396 0.818 828 HB2 LEU 33 2HB LEU 33 2.868 -11.361 1.268 829 HB3 LEU 33 1HB LEU 33 4.207 -10.663 0.371 830 HD11 LEU 33 1HD1 LEU 33 4.249 -8.666 1.824 831 HD12 LEU 33 2HD1 LEU 33 2.943 -9.365 2.781 832 HD13 LEU 33 3HD1 LEU 33 2.770 -7.746 2.101 833 HD21 LEU 33 1HD2 LEU 33 2.356 -8.846 -1.414 834 HD22 LEU 33 2HD2 LEU 33 3.898 -8.359 -0.708 835 HD23 LEU 33 3HD2 LEU 33 2.438 -7.444 -0.343 836 HA PRO 34 HA PRO 34 5.960 -10.768 -3.590 837 HB2 PRO 34 2HB PRO 34 6.497 -13.454 -2.355 838 HB3 PRO 34 1HB PRO 34 7.618 -12.410 -3.257 839 HG2 PRO 34 2HG PRO 34 7.151 -12.231 -0.490 840 HG3 PRO 34 1HG PRO 34 7.865 -10.954 -1.491 841 HD2 PRO 34 2HD PRO 34 5.415 -10.738 -0.124 842 HD3 PRO 34 1HD PRO 34 5.885 -9.730 -1.519 843 H THR 35 H THR 35 3.092 -12.157 -3.551 844 HA THR 35 HA THR 35 3.451 -12.602 -6.435 845 HB THR 35 HB THR 35 1.046 -13.718 -5.084 846 HG1 THR 35 1HG THR 35 2.611 -14.671 -3.816 847 HG21 THR 35 1HG2 THR 35 1.216 -13.747 -7.511 848 HG22 THR 35 2HG2 THR 35 1.244 -15.391 -6.873 849 HG23 THR 35 3HG2 THR 35 2.741 -14.627 -7.408 850 H GLY 36 H GLY 36 1.925 -11.533 -7.724 851 HA2 GLY 36 2HA GLY 36 0.423 -9.889 -8.301 852 HA3 GLY 36 1HA GLY 36 -0.332 -10.145 -6.739 853 H TRP 37 H TRP 37 2.945 -9.326 -6.451 854 HA TRP 37 HA TRP 37 2.523 -7.019 -5.001 855 HD1 TRP 37 HD TRP 37 5.952 -5.715 -7.353 856 HE1 TRP 37 1HE TRP 37 7.239 -6.868 -9.255 857 HE3 TRP 37 3HE TRP 37 4.765 -10.581 -6.316 858 HZ2 TRP 37 2HZ TRP 37 7.690 -9.482 -10.199 859 HZ3 TRP 37 3HZ TRP 37 5.667 -12.346 -7.772 860 HH2 TRP 37 HH TRP 37 7.100 -11.807 -9.673 861 HB2 TRP 37 2HB TRP 37 4.898 -6.658 -5.078 862 HB3 TRP 37 1HB TRP 37 4.605 -8.388 -4.971 863 H ASN 38 H ASN 38 2.671 -7.400 -8.430 864 HA ASN 38 HA ASN 38 3.412 -4.773 -9.135 865 HB2 ASN 38 2HB ASN 38 3.568 -6.537 -10.763 866 HB3 ASN 38 1HB ASN 38 1.848 -6.882 -10.636 867 HD21 ASN 38 1HD2 ASN 38 0.435 -5.757 -11.880 868 HD22 ASN 38 2HD2 ASN 38 0.893 -4.497 -12.972 869 H ARG 39 H ARG 39 0.494 -6.063 -7.864 870 HA ARG 39 HA ARG 39 -1.003 -3.724 -8.845 871 HE ARG 39 HE ARG 39 -6.010 -4.367 -9.182 872 HB2 ARG 39 2HB ARG 39 -1.827 -6.140 -9.231 873 HB3 ARG 39 1HB ARG 39 -2.257 -6.119 -7.526 874 HG2 ARG 39 2HG ARG 39 -3.784 -4.305 -7.862 875 HG3 ARG 39 1HG ARG 39 -3.247 -4.104 -9.531 876 HD2 ARG 39 2HD ARG 39 -4.057 -6.426 -9.982 877 HD3 ARG 39 1HD ARG 39 -4.746 -6.439 -8.358 878 HH11 ARG 39 1HH1 ARG 39 -5.028 -6.993 -11.294 879 HH12 ARG 39 2HH1 ARG 39 -6.396 -6.817 -12.356 880 HH21 ARG 39 1HH2 ARG 39 -7.769 -4.105 -10.579 881 HH22 ARG 39 2HH2 ARG 39 -7.962 -5.153 -11.957 882 H ILE 40 H ILE 40 0.803 -4.416 -6.287 883 HA ILE 40 HA ILE 40 -0.718 -4.048 -3.995 884 HB ILE 40 HB ILE 40 2.130 -3.258 -4.601 885 HG12 ILE 40 2HG1 ILE 40 0.909 -5.472 -2.943 886 HG13 ILE 40 1HG1 ILE 40 1.637 -5.655 -4.533 887 HG21 ILE 40 1HG2 ILE 40 2.485 -2.891 -2.226 888 HG22 ILE 40 2HG2 ILE 40 0.773 -3.174 -1.912 889 HG23 ILE 40 3HG2 ILE 40 1.276 -1.769 -2.851 890 HD11 ILE 40 1HD1 ILE 40 3.804 -4.980 -3.613 891 HD12 ILE 40 2HD1 ILE 40 3.150 -6.404 -2.799 892 HD13 ILE 40 3HD1 ILE 40 3.066 -4.825 -2.019 893 H MET 41 H MET 41 0.740 -1.587 -6.090 894 HA MET 41 HA MET 41 0.177 0.637 -4.482 895 HB2 MET 41 2HB MET 41 1.777 0.683 -6.345 896 HB3 MET 41 1HB MET 41 0.456 0.512 -7.491 897 HG2 MET 41 2HG MET 41 -0.429 2.667 -6.847 898 HG3 MET 41 1HG MET 41 0.811 2.832 -5.604 899 HE1 MET 41 1HE MET 41 3.398 1.721 -6.998 900 HE2 MET 41 2HE MET 41 3.367 3.230 -6.089 901 HE3 MET 41 3HE MET 41 4.081 3.189 -7.701 902 H GLU 42 H GLU 42 -1.780 -0.981 -6.915 903 HA GLU 42 HA GLU 42 -3.793 0.973 -7.189 904 HB2 GLU 42 2HB GLU 42 -3.467 -0.969 -8.710 905 HB3 GLU 42 1HB GLU 42 -4.054 -2.028 -7.443 906 HG2 GLU 42 2HG GLU 42 -6.196 -0.747 -7.468 907 HG3 GLU 42 1HG GLU 42 -5.595 0.114 -8.882 908 H VAL 43 H VAL 43 -3.763 -2.019 -5.284 909 HA VAL 43 HA VAL 43 -6.205 -1.569 -3.968 910 HB VAL 43 HB VAL 43 -3.861 -3.186 -2.959 911 HG11 VAL 43 1HG1 VAL 43 -6.802 -3.362 -2.319 912 HG12 VAL 43 2HG1 VAL 43 -5.532 -2.770 -1.246 913 HG13 VAL 43 3HG1 VAL 43 -5.554 -4.465 -1.737 914 HG21 VAL 43 1HG2 VAL 43 -4.953 -5.100 -4.045 915 HG22 VAL 43 2HG2 VAL 43 -4.460 -3.867 -5.209 916 HG23 VAL 43 3HG2 VAL 43 -6.154 -4.007 -4.737 917 H ALA 44 H ALA 44 -2.859 -0.840 -3.008 918 HA ALA 44 HA ALA 44 -3.432 0.060 -0.407 919 HB1 ALA 44 1HB ALA 44 -1.178 -0.523 -1.133 920 HB2 ALA 44 2HB ALA 44 -1.233 1.110 -0.471 921 HB3 ALA 44 3HB ALA 44 -1.161 0.870 -2.216 922 H GLU 45 H GLU 45 -3.455 1.714 -3.509 923 HA GLU 45 HA GLU 45 -3.558 4.355 -2.650 924 HB2 GLU 45 2HB GLU 45 -3.280 3.704 -4.997 925 HB3 GLU 45 1HB GLU 45 -4.930 3.099 -5.036 926 HG2 GLU 45 2HG GLU 45 -5.762 5.362 -4.615 927 HG3 GLU 45 1HG GLU 45 -4.106 5.961 -4.601 928 H LYS 46 H LYS 46 -6.344 2.283 -3.492 929 HA LYS 46 HA LYS 46 -8.261 4.170 -2.638 930 HB2 LYS 46 2HB LYS 46 -8.334 1.299 -3.403 931 HB3 LYS 46 1HB LYS 46 -9.705 1.930 -2.498 932 HG2 LYS 46 2HG LYS 46 -10.168 2.065 -4.849 933 HG3 LYS 46 1HG LYS 46 -9.982 3.692 -4.197 934 HD2 LYS 46 2HD LYS 46 -8.741 3.849 -6.123 935 HD3 LYS 46 1HD LYS 46 -7.497 3.390 -4.960 936 HE2 LYS 46 2HE LYS 46 -7.223 2.070 -6.945 937 HE3 LYS 46 1HE LYS 46 -7.801 1.027 -5.645 938 HZ1 LYS 46 1HZ LYS 46 -9.963 0.999 -6.566 939 HZ2 LYS 46 2HZ LYS 46 -8.906 0.729 -7.864 940 HZ3 LYS 46 3HZ LYS 46 -9.607 2.254 -7.651 941 H THR 47 H THR 47 -6.626 1.559 -0.961 942 HA THR 47 HA THR 47 -8.170 1.580 1.395 943 HB THR 47 HB THR 47 -5.207 0.983 1.161 944 HG1 THR 47 1HG THR 47 -6.249 -0.365 -0.268 945 HG21 THR 47 1HG2 THR 47 -5.610 -0.477 3.102 946 HG22 THR 47 2HG2 THR 47 -7.287 0.064 3.157 947 HG23 THR 47 3HG2 THR 47 -5.980 1.206 3.473 948 H TYR 48 H TYR 48 -5.301 3.407 0.419 949 HA TYR 48 HA TYR 48 -4.987 4.818 2.855 950 HD1 TYR 48 1HD TYR 48 -2.357 5.666 3.359 951 HD2 TYR 48 2HD TYR 48 -3.896 7.860 0.052 952 HE1 TYR 48 1HE TYR 48 -1.272 7.703 4.215 953 HE2 TYR 48 2HE TYR 48 -2.817 9.903 0.898 954 HH TYR 48 HH TYR 48 -0.459 9.872 3.353 955 HB2 TYR 48 2HB TYR 48 -3.160 4.544 1.249 956 HB3 TYR 48 1HB TYR 48 -4.042 5.496 0.061 957 H GLU 49 H GLU 49 -6.551 5.635 -0.233 958 HA GLU 49 HA GLU 49 -7.265 8.257 0.306 959 HB2 GLU 49 2HB GLU 49 -8.760 6.158 -1.265 960 HB3 GLU 49 1HB GLU 49 -9.133 7.867 -1.292 961 HG2 GLU 49 2HG GLU 49 -6.822 8.275 -2.150 962 HG3 GLU 49 1HG GLU 49 -6.650 6.523 -2.292 963 H ALA 50 H ALA 50 -9.104 5.285 0.942 964 HA ALA 50 HA ALA 50 -11.377 6.619 1.981 965 HB1 ALA 50 1HB ALA 50 -10.513 3.757 2.378 966 HB2 ALA 50 2HB ALA 50 -11.485 4.365 1.036 967 HB3 ALA 50 3HB ALA 50 -12.123 4.410 2.680 968 H TYR 51 H TYR 51 -8.641 4.974 3.589 969 HA TYR 51 HA TYR 51 -9.712 5.362 6.183 970 HD1 TYR 51 1HD TYR 51 -9.165 4.093 8.206 971 HD2 TYR 51 2HD TYR 51 -7.586 2.146 4.767 972 HE1 TYR 51 1HE TYR 51 -10.107 1.965 8.991 973 HE2 TYR 51 2HE TYR 51 -8.527 0.006 5.544 974 HH TYR 51 HH TYR 51 -10.806 -0.184 8.073 975 HB2 TYR 51 2HB TYR 51 -7.129 4.407 5.092 976 HB3 TYR 51 1HB TYR 51 -7.127 4.997 6.754 977 H ARG 52 H ARG 52 -7.567 7.333 4.185 978 HA ARG 52 HA ARG 52 -6.812 9.180 6.153 979 HE ARG 52 HE ARG 52 -6.631 13.776 3.858 980 HB2 ARG 52 2HB ARG 52 -5.775 9.343 3.997 981 HB3 ARG 52 1HB ARG 52 -7.328 9.561 3.198 982 HG2 ARG 52 2HG ARG 52 -7.574 11.695 4.509 983 HG3 ARG 52 1HG ARG 52 -5.895 11.493 4.998 984 HD2 ARG 52 2HD ARG 52 -5.129 11.692 2.763 985 HD3 ARG 52 1HD ARG 52 -6.767 11.552 2.121 986 HH11 ARG 52 1HH1 ARG 52 -5.527 12.744 0.700 987 HH12 ARG 52 2HH1 ARG 52 -5.484 14.351 0.043 988 HH21 ARG 52 1HH2 ARG 52 -6.581 15.885 3.006 989 HH22 ARG 52 2HH2 ARG 52 -6.075 16.148 1.368 990 H GLN 53 H GLN 53 -9.547 9.272 3.906 991 HA GLN 53 HA GLN 53 -10.692 11.639 4.956 992 HB2 GLN 53 2HB GLN 53 -11.097 10.702 2.666 993 HB3 GLN 53 1HB GLN 53 -12.057 9.430 3.401 994 HG2 GLN 53 2HG GLN 53 -13.630 11.081 4.250 995 HG3 GLN 53 1HG GLN 53 -12.664 12.375 3.539 996 HE21 GLN 53 1HE2 GLN 53 -12.040 10.774 1.168 997 HE22 GLN 53 2HE2 GLN 53 -13.480 10.782 0.202 998 H LEU 54 H LEU 54 -11.095 8.228 5.680 999 HA LEU 54 HA LEU 54 -13.403 8.440 7.280 1000 HG LEU 54 HG LEU 54 -14.132 6.316 8.184 1001 HB2 LEU 54 2HB LEU 54 -12.284 6.335 6.353 1002 HB3 LEU 54 1HB LEU 54 -11.170 6.454 7.698 1003 HD11 LEU 54 1HD1 LEU 54 -13.922 3.890 8.389 1004 HD12 LEU 54 2HD1 LEU 54 -12.260 3.984 7.804 1005 HD13 LEU 54 3HD1 LEU 54 -13.596 4.430 6.743 1006 HD21 LEU 54 1HD2 LEU 54 -11.739 5.451 9.799 1007 HD22 LEU 54 2HD2 LEU 54 -13.427 5.323 10.296 1008 HD23 LEU 54 3HD2 LEU 54 -12.692 6.910 10.065 1009 H ASP 55 H ASP 55 -9.943 8.694 8.040 1010 HA ASP 55 HA ASP 55 -10.376 9.122 10.830 1011 HB2 ASP 55 2HB ASP 55 -8.218 8.301 10.068 1012 HB3 ASP 55 1HB ASP 55 -7.966 9.762 9.115 1013 H GLU 56 H GLU 56 -9.855 11.264 8.053 1014 HA GLU 56 HA GLU 56 -9.827 13.693 9.443 1015 HB2 GLU 56 2HB GLU 56 -10.730 12.986 6.652 1016 HB3 GLU 56 1HB GLU 56 -10.712 14.639 7.235 1017 HG2 GLU 56 2HG GLU 56 -8.280 14.390 7.699 1018 HG3 GLU 56 1HG GLU 56 -8.353 12.793 6.964 1019 H PHE 57 H PHE 57 -12.524 11.839 8.119 1020 HA PHE 57 HA PHE 57 -14.590 13.528 8.990 1021 HD1 PHE 57 2HD PHE 57 -16.315 10.105 10.323 1022 HD2 PHE 57 1HD PHE 57 -16.952 12.881 7.163 1023 HE1 PHE 57 2HE PHE 57 -18.730 10.082 10.794 1024 HE2 PHE 57 1HE PHE 57 -19.366 12.866 7.631 1025 HZ PHE 57 HZ PHE 57 -20.257 11.463 9.448 1026 HB2 PHE 57 2HB PHE 57 -14.871 11.683 7.362 1027 HB3 PHE 57 1HB PHE 57 -14.606 10.520 8.653 1028 H ARG 58 H ARG 58 -12.947 10.812 10.540 1029 HA ARG 58 HA ARG 58 -14.492 10.632 12.855 1030 HE ARG 58 HE ARG 58 -12.659 7.017 14.076 1031 HB2 ARG 58 2HB ARG 58 -13.083 8.830 12.405 1032 HB3 ARG 58 1HB ARG 58 -11.699 9.865 12.089 1033 HG2 ARG 58 2HG ARG 58 -11.610 10.398 14.503 1034 HG3 ARG 58 1HG ARG 58 -12.910 9.230 14.766 1035 HD2 ARG 58 2HD ARG 58 -10.395 8.465 13.330 1036 HD3 ARG 58 1HD ARG 58 -10.479 8.463 15.085 1037 HH11 ARG 58 1HH1 ARG 58 -9.167 6.764 14.288 1038 HH12 ARG 58 2HH1 ARG 58 -9.170 5.024 14.327 1039 HH21 ARG 58 1HH2 ARG 58 -12.671 4.743 14.145 1040 HH22 ARG 58 2HH2 ARG 58 -11.166 3.871 14.246 1041 H LYS 59 H LYS 59 -11.525 12.467 12.186 1042 HA LYS 59 HA LYS 59 -11.124 13.493 14.757 1043 HB2 LYS 59 2HB LYS 59 -10.401 14.597 12.040 1044 HB3 LYS 59 1HB LYS 59 -9.876 15.334 13.546 1045 HG2 LYS 59 2HG LYS 59 -9.251 12.498 12.752 1046 HG3 LYS 59 1HG LYS 59 -8.180 13.871 12.469 1047 HD2 LYS 59 2HD LYS 59 -8.309 14.311 14.960 1048 HD3 LYS 59 1HD LYS 59 -9.083 12.732 15.103 1049 HE2 LYS 59 2HE LYS 59 -6.396 13.161 13.814 1050 HE3 LYS 59 1HE LYS 59 -6.602 12.770 15.517 1051 HZ1 LYS 59 1HZ LYS 59 -7.708 10.715 14.859 1052 HZ2 LYS 59 2HZ LYS 59 -6.131 10.797 14.243 1053 HZ3 LYS 59 3HZ LYS 59 -7.455 11.079 13.220 1054 H SER 60 H SER 60 -12.925 14.821 12.009 1055 HA SER 60 HA SER 60 -13.618 17.235 13.331 1056 HG SER 60 HG SER 60 -15.192 18.328 10.508 1057 HB2 SER 60 2HB SER 60 -13.553 16.930 10.846 1058 HB3 SER 60 1HB SER 60 -15.019 15.958 10.974 1059 H THR 61 H THR 61 -15.301 14.175 12.835 1060 HA THR 61 HA THR 61 -17.781 15.074 13.892 1061 HB THR 61 HB THR 61 -16.817 12.222 13.619 1062 HG1 THR 61 1HG THR 61 -16.725 13.206 11.599 1063 HG21 THR 61 1HG2 THR 61 -19.222 11.712 13.433 1064 HG22 THR 61 2HG2 THR 61 -19.591 13.404 13.766 1065 HG23 THR 61 3HG2 THR 61 -18.811 12.414 14.999 1066 H ALA 62 H ALA 62 -15.076 13.224 15.291 1067 HA ALA 62 HA ALA 62 -16.289 12.652 17.766 1068 HB1 ALA 62 1HB ALA 62 -14.267 11.520 17.000 1069 HB2 ALA 62 2HB ALA 62 -14.024 12.244 18.590 1070 HB3 ALA 62 3HB ALA 62 -13.358 13.023 17.156 1071 H SER 63 H SER 63 -14.591 15.474 16.583 1072 HA SER 63 HA SER 63 -14.336 16.807 19.059 1073 HG SER 63 HG SER 63 -12.817 16.710 16.207 1074 HB2 SER 63 2HB SER 63 -14.579 17.999 16.286 1075 HB3 SER 63 1HB SER 63 -13.945 18.814 17.718 1076 H LEU 64 H LEU 64 -16.890 16.665 16.651 1077 HA LEU 64 HA LEU 64 -18.483 18.721 17.841 1078 HG LEU 64 HG LEU 64 -20.705 18.518 14.898 1079 HB2 LEU 64 2HB LEU 64 -18.484 18.001 15.403 1080 HB3 LEU 64 1HB LEU 64 -19.385 16.589 15.907 1081 HD11 LEU 64 1HD1 LEU 64 -21.505 17.499 17.619 1082 HD12 LEU 64 2HD1 LEU 64 -21.796 16.696 16.076 1083 HD13 LEU 64 3HD1 LEU 64 -22.587 18.231 16.434 1084 HD21 LEU 64 1HD2 LEU 64 -21.320 20.328 16.414 1085 HD22 LEU 64 2HD2 LEU 64 -19.591 20.332 16.070 1086 HD23 LEU 64 3HD2 LEU 64 -20.181 19.713 17.612 1087 H GLU 65 H GLU 65 -18.324 15.224 18.049 1088 HA GLU 65 HA GLU 65 -20.776 14.854 19.390 1089 HB2 GLU 65 2HB GLU 65 -18.338 13.192 18.936 1090 HB3 GLU 65 1HB GLU 65 -19.580 12.646 20.040 1091 HG2 GLU 65 2HG GLU 65 -21.240 12.880 18.203 1092 HG3 GLU 65 1HG GLU 65 -19.906 13.266 17.119 1093 H HIS 66 H HIS 66 -18.023 16.313 20.459 1094 HA HIS 66 HA HIS 66 -18.189 15.528 23.224 1095 HD1 HIS 66 1HD HIS 66 -14.506 16.954 21.034 1096 HD2 HIS 66 2HD HIS 66 -15.984 14.669 24.175 1097 HE1 HIS 66 1HE HIS 66 -12.802 15.153 21.417 1098 HE2 HIS 66 2HE HIS 66 -13.573 13.992 23.517 1099 HB2 HIS 66 2HB HIS 66 -16.733 17.732 21.778 1100 HB3 HIS 66 1HB HIS 66 -16.760 17.649 23.533 1101 H HIS 67 H HIS 67 -20.115 17.395 21.238 1102 HA HIS 67 HA HIS 67 -20.942 19.156 23.456 1103 HD1 HIS 67 1HD HIS 67 -19.763 22.151 22.986 1104 HD2 HIS 67 2HD HIS 67 -18.304 19.523 20.108 1105 HE1 HIS 67 1HE HIS 67 -17.342 22.757 22.676 1106 HE2 HIS 67 2HE HIS 67 -16.439 21.053 21.050 1107 HB2 HIS 67 2HB HIS 67 -21.087 19.743 20.489 1108 HB3 HIS 67 1HB HIS 67 -21.587 20.826 21.781 1109 H HIS 68 H HIS 68 -23.117 19.509 23.791 1110 HA HIS 68 HA HIS 68 -25.356 19.293 23.700 1111 HD1 HIS 68 1HD HIS 68 -25.616 20.891 19.391 1112 HD2 HIS 68 2HD HIS 68 -25.819 21.351 23.522 1113 HE1 HIS 68 1HE HIS 68 -26.073 23.331 19.784 1114 HE2 HIS 68 2HE HIS 68 -26.406 23.533 22.273 1115 HB2 HIS 68 2HB HIS 68 -24.653 18.866 20.828 1116 HB3 HIS 68 1HB HIS 68 -26.315 18.629 21.362 1117 H HIS 69 H HIS 69 -23.535 16.810 24.064 1118 HA HIS 69 HA HIS 69 -25.255 14.638 23.395 1119 HD1 HIS 69 1HD HIS 69 -21.586 12.317 24.673 1120 HD2 HIS 69 2HD HIS 69 -24.026 13.959 21.729 1121 HE1 HIS 69 1HE HIS 69 -21.012 11.096 22.547 1122 HE2 HIS 69 2HE HIS 69 -22.644 11.961 20.837 1123 HB2 HIS 69 2HB HIS 69 -22.793 14.992 24.985 1124 HB3 HIS 69 1HB HIS 69 -23.835 13.670 25.497 1125 H HIS 70 H HIS 70 -24.511 16.172 26.525 1126 HA HIS 70 HA HIS 70 -27.227 16.332 27.318 1127 HD1 HIS 70 1HD HIS 70 -25.365 14.791 30.924 1128 HD2 HIS 70 2HD HIS 70 -24.336 12.770 27.427 1129 HE1 HIS 70 1HE HIS 70 -23.244 13.537 31.451 1130 HE2 HIS 70 2HE HIS 70 -22.730 12.211 29.367 1131 HB2 HIS 70 2HB HIS 70 -27.237 14.719 29.142 1132 HB3 HIS 70 1HB HIS 70 -26.904 13.880 27.633 1133 H HIS 71 H HIS 71 -27.329 16.924 29.727 1134 HA HIS 71 HA HIS 71 -25.112 18.700 30.360 1135 HD1 HIS 71 1HD HIS 71 -26.150 20.679 29.468 1136 HD2 HIS 71 2HD HIS 71 -29.837 19.426 30.932 1137 HE1 HIS 71 1HE HIS 71 -27.873 21.968 28.166 1138 HE2 HIS 71 2HE HIS 71 -30.081 20.998 28.893 1139 HB2 HIS 71 2HB HIS 71 -27.663 18.178 31.912 1140 HB3 HIS 71 1HB HIS 71 -26.508 19.471 32.215 Start of MODEL 14 1 HA MET 1 HA MET 1 33.664 1.249 -16.364 2 H1 MET 1 1H MET 1 33.559 0.365 -19.188 3 H2 MET 1 2H MET 1 34.959 0.719 -18.299 4 H3 MET 1 3H MET 1 33.855 1.952 -18.657 5 HB2 MET 1 2HB MET 1 31.322 0.417 -18.095 6 HB3 MET 1 1HB MET 1 31.241 0.702 -16.364 7 HG2 MET 1 2HG MET 1 30.385 2.632 -17.377 8 HG3 MET 1 1HG MET 1 32.011 3.057 -16.846 9 HE1 MET 1 1HE MET 1 31.897 5.218 -18.411 10 HE2 MET 1 2HE MET 1 30.285 4.754 -18.953 11 HE3 MET 1 3HE MET 1 31.531 5.158 -20.136 12 H SER 2 H SER 2 32.456 -0.538 -15.055 13 HA SER 2 HA SER 2 33.627 -3.115 -15.821 14 HG SER 2 HG SER 2 34.475 -1.249 -13.881 15 HB2 SER 2 2HB SER 2 32.405 -2.238 -13.191 16 HB3 SER 2 1HB SER 2 33.222 -3.773 -13.491 17 H GLU 3 H GLU 3 32.387 -4.958 -16.027 18 HA GLU 3 HA GLU 3 29.533 -4.880 -15.672 19 HB2 GLU 3 2HB GLU 3 29.755 -3.714 -17.813 20 HB3 GLU 3 1HB GLU 3 30.711 -5.042 -18.452 21 HG2 GLU 3 2HG GLU 3 28.842 -6.510 -18.416 22 HG3 GLU 3 1HG GLU 3 27.870 -5.341 -17.522 23 H GLY 4 H GLY 4 28.684 -6.912 -15.495 24 HA2 GLY 4 2HA GLY 4 29.183 -9.284 -16.492 25 HA3 GLY 4 1HA GLY 4 30.639 -9.089 -15.526 26 H ALA 5 H ALA 5 29.719 -11.100 -14.568 27 HA ALA 5 HA ALA 5 27.301 -11.015 -13.094 28 HB1 ALA 5 1HB ALA 5 27.959 -13.172 -12.221 29 HB2 ALA 5 2HB ALA 5 29.603 -12.931 -12.813 30 HB3 ALA 5 3HB ALA 5 28.270 -13.091 -13.956 31 H GLU 6 H GLU 6 30.439 -9.862 -12.398 32 HA GLU 6 HA GLU 6 30.551 -10.199 -9.617 33 HB2 GLU 6 2HB GLU 6 31.690 -7.920 -11.240 34 HB3 GLU 6 1HB GLU 6 32.203 -8.407 -9.630 35 HG2 GLU 6 2HG GLU 6 32.928 -10.553 -10.514 36 HG3 GLU 6 1HG GLU 6 32.433 -10.057 -12.129 37 H GLU 7 H GLU 7 29.595 -7.296 -11.437 38 HA GLU 7 HA GLU 7 28.559 -5.928 -9.189 39 HB2 GLU 7 2HB GLU 7 29.138 -4.837 -11.357 40 HB3 GLU 7 1HB GLU 7 27.733 -5.599 -12.080 41 HG2 GLU 7 2HG GLU 7 26.275 -4.420 -10.526 42 HG3 GLU 7 1HG GLU 7 27.672 -3.647 -9.787 43 H LEU 8 H LEU 8 27.200 -8.091 -11.553 44 HA LEU 8 HA LEU 8 24.488 -7.856 -11.032 45 HG LEU 8 HG LEU 8 24.660 -9.997 -13.988 46 HB2 LEU 8 2HB LEU 8 26.286 -9.794 -12.270 47 HB3 LEU 8 1HB LEU 8 24.875 -10.542 -11.561 48 HD11 LEU 8 1HD1 LEU 8 22.707 -10.312 -12.567 49 HD12 LEU 8 2HD1 LEU 8 22.407 -9.099 -13.812 50 HD13 LEU 8 3HD1 LEU 8 22.729 -8.600 -12.151 51 HD21 LEU 8 1HD2 LEU 8 24.245 -7.660 -14.614 52 HD22 LEU 8 2HD2 LEU 8 25.889 -7.902 -14.023 53 HD23 LEU 8 3HD2 LEU 8 24.679 -7.155 -12.981 54 H LYS 9 H LYS 9 26.900 -9.917 -9.477 55 HA LYS 9 HA LYS 9 25.094 -11.307 -7.803 56 HB2 LYS 9 2HB LYS 9 27.584 -11.801 -8.485 57 HB3 LYS 9 1HB LYS 9 27.966 -10.846 -7.060 58 HG2 LYS 9 2HG LYS 9 27.987 -13.092 -6.369 59 HG3 LYS 9 1HG LYS 9 26.471 -12.420 -5.764 60 HD2 LYS 9 2HD LYS 9 26.168 -14.655 -6.758 61 HD3 LYS 9 1HD LYS 9 25.256 -13.415 -7.618 62 HE2 LYS 9 2HE LYS 9 27.006 -13.299 -9.319 63 HE3 LYS 9 1HE LYS 9 27.938 -14.520 -8.456 64 HZ1 LYS 9 1HZ LYS 9 26.665 -15.415 -10.347 65 HZ2 LYS 9 2HZ LYS 9 25.220 -14.963 -9.579 66 HZ3 LYS 9 3HZ LYS 9 26.230 -16.127 -8.874 67 H ALA 10 H ALA 10 27.260 -8.561 -7.175 68 HA ALA 10 HA ALA 10 26.575 -8.285 -4.449 69 HB1 ALA 10 1HB ALA 10 28.630 -7.357 -5.401 70 HB2 ALA 10 2HB ALA 10 27.685 -6.113 -4.583 71 HB3 ALA 10 3HB ALA 10 27.678 -6.211 -6.344 72 H LYS 11 H LYS 11 25.265 -6.918 -7.402 73 HA LYS 11 HA LYS 11 23.598 -5.003 -6.083 74 HB2 LYS 11 2HB LYS 11 24.548 -5.008 -8.497 75 HB3 LYS 11 1HB LYS 11 23.168 -6.022 -8.875 76 HG2 LYS 11 2HG LYS 11 21.638 -4.311 -8.408 77 HG3 LYS 11 1HG LYS 11 22.852 -3.346 -7.560 78 HD2 LYS 11 2HD LYS 11 24.088 -3.121 -9.701 79 HD3 LYS 11 1HD LYS 11 22.769 -3.962 -10.512 80 HE2 LYS 11 2HE LYS 11 21.237 -2.208 -9.985 81 HE3 LYS 11 1HE LYS 11 22.421 -1.419 -8.942 82 HZ1 LYS 11 1HZ LYS 11 22.238 -0.352 -11.124 83 HZ2 LYS 11 2HZ LYS 11 22.720 -1.794 -11.879 84 HZ3 LYS 11 3HZ LYS 11 23.794 -0.972 -10.854 85 H LEU 12 H LEU 12 23.078 -8.206 -7.537 86 HA LEU 12 HA LEU 12 20.289 -8.303 -7.053 87 HG LEU 12 HG LEU 12 20.111 -11.360 -6.379 88 HB2 LEU 12 2HB LEU 12 21.436 -9.820 -8.617 89 HB3 LEU 12 1HB LEU 12 22.278 -10.569 -7.273 90 HD11 LEU 12 1HD1 LEU 12 18.982 -10.239 -8.942 91 HD12 LEU 12 2HD1 LEU 12 18.670 -9.630 -7.316 92 HD13 LEU 12 3HD1 LEU 12 18.113 -11.238 -7.777 93 HD21 LEU 12 1HD2 LEU 12 20.696 -12.139 -9.232 94 HD22 LEU 12 2HD2 LEU 12 19.722 -13.072 -8.095 95 HD23 LEU 12 3HD2 LEU 12 21.440 -12.821 -7.787 96 H LYS 13 H LYS 13 23.115 -9.316 -5.196 97 HA LYS 13 HA LYS 13 21.891 -10.530 -3.025 98 HB2 LYS 13 2HB LYS 13 24.351 -10.353 -3.431 99 HB3 LYS 13 1HB LYS 13 24.277 -8.676 -2.921 100 HG2 LYS 13 2HG LYS 13 23.477 -9.418 -0.706 101 HG3 LYS 13 1HG LYS 13 23.679 -11.091 -1.229 102 HD2 LYS 13 2HD LYS 13 26.074 -10.648 -1.631 103 HD3 LYS 13 1HD LYS 13 25.847 -9.005 -1.028 104 HE2 LYS 13 2HE LYS 13 26.760 -10.397 0.724 105 HE3 LYS 13 1HE LYS 13 25.110 -9.927 1.132 106 HZ1 LYS 13 1HZ LYS 13 25.923 -12.538 -0.027 107 HZ2 LYS 13 2HZ LYS 13 24.345 -12.091 0.397 108 HZ3 LYS 13 3HZ LYS 13 25.527 -12.264 1.599 109 H LYS 14 H LYS 14 22.716 -7.096 -3.415 110 HA LYS 14 HA LYS 14 21.621 -6.105 -1.065 111 HB2 LYS 14 2HB LYS 14 23.085 -4.882 -2.697 112 HB3 LYS 14 1HB LYS 14 21.688 -4.711 -3.749 113 HG2 LYS 14 2HG LYS 14 21.874 -2.678 -2.593 114 HG3 LYS 14 1HG LYS 14 20.545 -3.546 -1.818 115 HD2 LYS 14 2HD LYS 14 21.866 -2.638 -0.081 116 HD3 LYS 14 1HD LYS 14 22.219 -4.361 -0.121 117 HE2 LYS 14 2HE LYS 14 24.267 -3.082 0.155 118 HE3 LYS 14 1HE LYS 14 24.256 -3.904 -1.405 119 HZ1 LYS 14 1HZ LYS 14 25.058 -1.588 -1.520 120 HZ2 LYS 14 2HZ LYS 14 23.533 -1.046 -1.008 121 HZ3 LYS 14 3HZ LYS 14 23.690 -1.852 -2.491 122 H LEU 15 H LEU 15 20.141 -6.359 -4.284 123 HA LEU 15 HA LEU 15 17.687 -5.183 -3.584 124 HG LEU 15 HG LEU 15 19.570 -4.912 -6.021 125 HB2 LEU 15 2HB LEU 15 18.405 -7.059 -5.829 126 HB3 LEU 15 1HB LEU 15 16.868 -6.226 -5.701 127 HD11 LEU 15 1HD1 LEU 15 18.786 -6.037 -8.040 128 HD12 LEU 15 2HD1 LEU 15 18.737 -4.285 -8.228 129 HD13 LEU 15 3HD1 LEU 15 17.248 -5.180 -7.926 130 HD21 LEU 15 1HD2 LEU 15 18.302 -2.832 -6.255 131 HD22 LEU 15 2HD2 LEU 15 18.056 -3.554 -4.664 132 HD23 LEU 15 3HD2 LEU 15 16.808 -3.696 -5.902 133 H ASN 16 H ASN 16 18.720 -8.565 -3.660 134 HA ASN 16 HA ASN 16 16.180 -9.712 -3.237 135 HB2 ASN 16 2HB ASN 16 18.230 -10.933 -4.010 136 HB3 ASN 16 1HB ASN 16 18.847 -10.843 -2.363 137 HD21 ASN 16 1HD2 ASN 16 16.541 -12.303 -4.485 138 HD22 ASN 16 2HD2 ASN 16 16.011 -13.544 -3.405 139 H ALA 17 H ALA 17 18.735 -8.739 -0.976 140 HA ALA 17 HA ALA 17 17.380 -9.587 1.366 141 HB1 ALA 17 1HB ALA 17 19.501 -7.463 1.057 142 HB2 ALA 17 2HB ALA 17 19.788 -9.184 1.322 143 HB3 ALA 17 3HB ALA 17 19.003 -8.217 2.572 144 H GLN 18 H GLN 18 17.488 -6.560 -0.415 145 HA GLN 18 HA GLN 18 16.051 -4.918 1.320 146 HB2 GLN 18 2HB GLN 18 17.204 -4.052 -0.631 147 HB3 GLN 18 1HB GLN 18 16.146 -4.956 -1.702 148 HG2 GLN 18 2HG GLN 18 14.259 -3.594 -1.036 149 HG3 GLN 18 1HG GLN 18 15.273 -2.723 0.116 150 HE21 GLN 18 1HE2 GLN 18 14.558 -3.250 -3.242 151 HE22 GLN 18 2HE2 GLN 18 15.386 -1.858 -3.851 152 H ALA 19 H ALA 19 14.831 -6.866 -1.410 153 HA ALA 19 HA ALA 19 12.122 -6.274 -1.077 154 HB1 ALA 19 1HB ALA 19 13.068 -7.328 -3.083 155 HB2 ALA 19 2HB ALA 19 11.683 -8.220 -2.457 156 HB3 ALA 19 3HB ALA 19 13.317 -8.817 -2.170 157 H THR 20 H THR 20 14.064 -8.886 0.298 158 HA THR 20 HA THR 20 11.980 -10.356 1.464 159 HB THR 20 HB THR 20 14.825 -10.143 2.464 160 HG1 THR 20 1HG THR 20 14.906 -10.743 0.304 161 HG21 THR 20 1HG2 THR 20 14.454 -12.412 3.305 162 HG22 THR 20 2HG2 THR 20 12.792 -12.363 2.715 163 HG23 THR 20 3HG2 THR 20 13.299 -11.281 4.012 164 H ALA 21 H ALA 21 13.981 -7.712 2.766 165 HA ALA 21 HA ALA 21 12.877 -7.840 5.385 166 HB1 ALA 21 1HB ALA 21 15.051 -6.827 4.929 167 HB2 ALA 21 2HB ALA 21 13.972 -5.690 5.742 168 HB3 ALA 21 3HB ALA 21 14.262 -5.547 4.007 169 H LEU 22 H LEU 22 12.134 -5.905 2.515 170 HA LEU 22 HA LEU 22 10.231 -4.228 3.731 171 HG LEU 22 HG LEU 22 10.933 -2.472 0.621 172 HB2 LEU 22 2HB LEU 22 10.984 -4.910 0.952 173 HB3 LEU 22 1HB LEU 22 9.376 -4.249 1.181 174 HD11 LEU 22 1HD1 LEU 22 9.101 -1.929 2.109 175 HD12 LEU 22 2HD1 LEU 22 10.531 -0.984 2.521 176 HD13 LEU 22 3HD1 LEU 22 10.079 -2.373 3.509 177 HD21 LEU 22 1HD2 LEU 22 12.449 -3.306 3.095 178 HD22 LEU 22 2HD2 LEU 22 12.783 -1.880 2.114 179 HD23 LEU 22 3HD2 LEU 22 12.996 -3.487 1.427 180 H LYS 23 H LYS 23 9.956 -7.435 2.298 181 HA LYS 23 HA LYS 23 7.168 -7.603 2.177 182 HB2 LYS 23 2HB LYS 23 8.544 -9.337 1.189 183 HB3 LYS 23 1HB LYS 23 9.198 -9.775 2.764 184 HG2 LYS 23 2HG LYS 23 6.904 -10.408 3.473 185 HG3 LYS 23 1HG LYS 23 6.360 -10.112 1.822 186 HD2 LYS 23 2HD LYS 23 7.862 -11.845 1.001 187 HD3 LYS 23 1HD LYS 23 8.469 -12.118 2.637 188 HE2 LYS 23 2HE LYS 23 6.154 -12.715 3.327 189 HE3 LYS 23 1HE LYS 23 5.658 -12.574 1.640 190 HZ1 LYS 23 1HZ LYS 23 7.550 -14.532 2.813 191 HZ2 LYS 23 2HZ LYS 23 7.383 -14.306 1.144 192 HZ3 LYS 23 3HZ LYS 23 6.062 -14.846 2.065 193 H MET 24 H MET 24 9.371 -8.463 4.829 194 HA MET 24 HA MET 24 7.309 -9.337 6.569 195 HB2 MET 24 2HB MET 24 10.135 -8.461 7.192 196 HB3 MET 24 1HB MET 24 9.063 -9.281 8.317 197 HG2 MET 24 2HG MET 24 8.980 -11.209 6.779 198 HG3 MET 24 1HG MET 24 10.137 -10.389 5.732 199 HE1 MET 24 1HE MET 24 12.613 -9.824 6.428 200 HE2 MET 24 2HE MET 24 13.322 -10.237 7.988 201 HE3 MET 24 3HE MET 24 12.068 -9.003 7.892 202 H ASP 25 H ASP 25 8.947 -6.255 6.106 203 HA ASP 25 HA ASP 25 7.968 -5.054 8.484 204 HB2 ASP 25 2HB ASP 25 9.967 -4.250 7.209 205 HB3 ASP 25 1HB ASP 25 8.873 -3.643 5.966 206 H LEU 26 H LEU 26 6.866 -4.974 5.109 207 HA LEU 26 HA LEU 26 4.626 -3.295 5.605 208 HG LEU 26 HG LEU 26 2.717 -4.595 3.487 209 HB2 LEU 26 2HB LEU 26 5.570 -3.606 3.361 210 HB3 LEU 26 1HB LEU 26 5.103 -5.294 3.389 211 HD11 LEU 26 1HD1 LEU 26 3.853 -1.840 3.043 212 HD12 LEU 26 2HD1 LEU 26 3.032 -2.401 4.501 213 HD13 LEU 26 3HD1 LEU 26 2.144 -2.279 2.981 214 HD21 LEU 26 1HD2 LEU 26 2.585 -3.873 1.150 215 HD22 LEU 26 2HD2 LEU 26 3.753 -5.176 1.364 216 HD23 LEU 26 3HD2 LEU 26 4.313 -3.516 1.167 217 H HIS 27 H HIS 27 5.130 -6.772 5.573 218 HA HIS 27 HA HIS 27 2.525 -7.689 5.837 219 HD1 HIS 27 1HD HIS 27 4.150 -9.888 9.165 220 HD2 HIS 27 2HD HIS 27 2.123 -10.905 5.668 221 HE1 HIS 27 1HE HIS 27 2.670 -11.837 9.771 222 HE2 HIS 27 2HE HIS 27 1.345 -12.339 7.670 223 HB2 HIS 27 2HB HIS 27 4.385 -9.216 5.512 224 HB3 HIS 27 1HB HIS 27 5.079 -8.760 7.063 225 H ASP 28 H ASP 28 4.832 -6.886 8.412 226 HA ASP 28 HA ASP 28 2.964 -7.354 10.493 227 HB2 ASP 28 2HB ASP 28 5.639 -5.954 10.484 228 HB3 ASP 28 1HB ASP 28 4.702 -6.259 11.944 229 H LEU 29 H LEU 29 3.779 -4.569 8.582 230 HA LEU 29 HA LEU 29 2.568 -2.592 10.183 231 HG LEU 29 HG LEU 29 1.221 -0.980 7.813 232 HB2 LEU 29 2HB LEU 29 4.003 -2.069 8.269 233 HB3 LEU 29 1HB LEU 29 2.817 -2.758 7.179 234 HD11 LEU 29 1HD1 LEU 29 3.548 0.132 9.377 235 HD12 LEU 29 2HD1 LEU 29 2.047 -0.502 10.053 236 HD13 LEU 29 3HD1 LEU 29 2.023 0.962 9.068 237 HD21 LEU 29 1HD2 LEU 29 2.643 -0.725 5.850 238 HD22 LEU 29 2HD2 LEU 29 3.903 0.005 6.847 239 HD23 LEU 29 3HD2 LEU 29 2.359 0.832 6.631 240 H ALA 30 H ALA 30 1.288 -4.767 7.706 241 HA ALA 30 HA ALA 30 -1.389 -3.771 7.850 242 HB1 ALA 30 1HB ALA 30 -1.980 -5.731 6.518 243 HB2 ALA 30 2HB ALA 30 -0.379 -6.412 6.795 244 HB3 ALA 30 3HB ALA 30 -0.553 -4.926 5.860 245 H GLU 31 H GLU 31 0.448 -6.173 9.586 246 HA GLU 31 HA GLU 31 -1.760 -7.388 10.910 247 HB2 GLU 31 2HB GLU 31 1.206 -7.294 11.426 248 HB3 GLU 31 1HB GLU 31 0.105 -8.116 12.512 249 HG2 GLU 31 2HG GLU 31 0.345 -8.752 9.585 250 HG3 GLU 31 1HG GLU 31 1.243 -9.585 10.852 251 H ASP 32 H ASP 32 0.065 -4.492 11.346 252 HA ASP 32 HA ASP 32 -1.150 -4.066 13.999 253 HB2 ASP 32 2HB ASP 32 1.457 -4.086 13.587 254 HB3 ASP 32 1HB ASP 32 1.169 -2.448 13.008 255 H LEU 33 H LEU 33 -2.862 -3.619 12.098 256 HA LEU 33 HA LEU 33 -2.756 -1.168 10.749 257 HG LEU 33 HG LEU 33 -3.533 -3.317 9.211 258 HB2 LEU 33 2HB LEU 33 -4.819 -3.209 11.279 259 HB3 LEU 33 1HB LEU 33 -5.403 -1.608 10.857 260 HD11 LEU 33 1HD1 LEU 33 -6.377 -2.438 8.751 261 HD12 LEU 33 2HD1 LEU 33 -5.831 -4.074 9.126 262 HD13 LEU 33 3HD1 LEU 33 -5.377 -3.321 7.597 263 HD21 LEU 33 1HD2 LEU 33 -3.727 -1.529 7.519 264 HD22 LEU 33 2HD2 LEU 33 -2.917 -0.973 8.986 265 HD23 LEU 33 3HD2 LEU 33 -4.599 -0.541 8.690 266 HA PRO 34 HA PRO 34 -3.689 2.459 11.560 267 HB2 PRO 34 2HB PRO 34 -5.733 2.075 13.726 268 HB3 PRO 34 1HB PRO 34 -5.498 3.459 12.644 269 HG2 PRO 34 2HG PRO 34 -7.221 1.328 12.147 270 HG3 PRO 34 1HG PRO 34 -6.585 2.437 10.920 271 HD2 PRO 34 2HD PRO 34 -6.059 -0.339 11.111 272 HD3 PRO 34 1HD PRO 34 -5.199 0.829 10.083 273 H THR 35 H THR 35 -1.979 3.004 12.255 274 HA THR 35 HA THR 35 -1.377 3.959 14.770 275 HB THR 35 HB THR 35 -0.041 1.297 14.174 276 HG1 THR 35 1HG THR 35 -1.855 1.128 15.509 277 HG21 THR 35 1HG2 THR 35 1.523 1.772 15.992 278 HG22 THR 35 2HG2 THR 35 0.834 3.385 16.176 279 HG23 THR 35 3HG2 THR 35 1.691 2.957 14.696 280 H GLY 36 H GLY 36 0.221 2.252 12.105 281 HA2 GLY 36 2HA GLY 36 1.454 4.817 11.309 282 HA3 GLY 36 1HA GLY 36 2.221 3.253 11.073 283 H TRP 37 H TRP 37 -1.203 3.621 10.545 284 HA TRP 37 HA TRP 37 -1.200 2.572 7.987 285 HD1 TRP 37 HD TRP 37 -3.183 4.085 11.570 286 HE1 TRP 37 1HE TRP 37 -4.174 6.398 12.115 287 HE3 TRP 37 3HE TRP 37 -3.973 5.759 6.802 288 HZ2 TRP 37 2HZ TRP 37 -5.153 8.637 10.697 289 HZ3 TRP 37 3HZ TRP 37 -4.936 7.999 6.485 290 HH2 TRP 37 HH TRP 37 -5.513 9.407 8.391 291 HB2 TRP 37 2HB TRP 37 -3.517 3.446 7.808 292 HB3 TRP 37 1HB TRP 37 -3.209 2.603 9.323 293 H ASN 38 H ASN 38 -0.762 5.905 8.986 294 HA ASN 38 HA ASN 38 -1.207 7.090 6.449 295 HB2 ASN 38 2HB ASN 38 -1.215 8.416 8.520 296 HB3 ASN 38 1HB ASN 38 0.491 8.060 8.767 297 HD21 ASN 38 1HD2 ASN 38 -1.827 9.859 6.908 298 HD22 ASN 38 2HD2 ASN 38 -0.699 10.945 6.181 299 H ARG 39 H ARG 39 1.429 5.413 7.898 300 HA ARG 39 HA ARG 39 3.342 6.298 5.901 301 HE ARG 39 HE ARG 39 7.115 6.507 6.633 302 HB2 ARG 39 2HB ARG 39 4.189 6.186 8.128 303 HB3 ARG 39 1HB ARG 39 3.553 4.567 8.362 304 HG2 ARG 39 2HG ARG 39 5.295 3.582 7.305 305 HG3 ARG 39 1HG ARG 39 5.545 4.940 6.205 306 HD2 ARG 39 2HD ARG 39 6.081 5.326 9.110 307 HD3 ARG 39 1HD ARG 39 7.249 4.423 8.145 308 HH11 ARG 39 1HH1 ARG 39 6.825 6.593 10.126 309 HH12 ARG 39 2HH1 ARG 39 7.599 8.148 10.260 310 HH21 ARG 39 1HH2 ARG 39 8.100 8.530 6.812 311 HH22 ARG 39 2HH2 ARG 39 8.320 9.248 8.383 312 H ILE 40 H ILE 40 0.959 4.017 6.069 313 HA ILE 40 HA ILE 40 2.010 1.710 4.943 314 HB ILE 40 HB ILE 40 -0.668 3.041 4.648 315 HG12 ILE 40 2HG1 ILE 40 0.244 0.469 5.947 316 HG13 ILE 40 1HG1 ILE 40 -0.130 1.971 6.785 317 HG21 ILE 40 1HG2 ILE 40 -1.518 1.076 3.478 318 HG22 ILE 40 2HG2 ILE 40 0.117 0.417 3.384 319 HG23 ILE 40 3HG2 ILE 40 -0.289 1.907 2.527 320 HD11 ILE 40 1HD1 ILE 40 -2.461 1.779 6.055 321 HD12 ILE 40 2HD1 ILE 40 -1.941 0.385 7.001 322 HD13 ILE 40 3HD1 ILE 40 -2.073 0.259 5.247 323 H MET 41 H MET 41 0.964 4.697 3.348 324 HA MET 41 HA MET 41 1.388 3.885 0.694 325 HB2 MET 41 2HB MET 41 0.118 5.885 1.233 326 HB3 MET 41 1HB MET 41 1.537 6.632 1.953 327 HG2 MET 41 2HG MET 41 1.124 7.571 -0.222 328 HG3 MET 41 1HG MET 41 2.627 6.651 -0.242 329 HE1 MET 41 1HE MET 41 -1.105 5.349 -0.372 330 HE2 MET 41 2HE MET 41 -1.338 5.225 -2.116 331 HE3 MET 41 3HE MET 41 -1.108 6.805 -1.370 332 H GLU 42 H GLU 42 3.572 5.138 3.125 333 HA GLU 42 HA GLU 42 5.740 5.652 1.332 334 HB2 GLU 42 2HB GLU 42 5.380 6.705 3.614 335 HB3 GLU 42 1HB GLU 42 5.912 5.184 4.307 336 HG2 GLU 42 2HG GLU 42 8.048 5.436 3.056 337 HG3 GLU 42 1HG GLU 42 7.508 7.042 2.568 338 H VAL 43 H VAL 43 5.045 3.123 3.719 339 HA VAL 43 HA VAL 43 7.345 1.578 3.204 340 HB VAL 43 HB VAL 43 4.685 0.643 4.304 341 HG11 VAL 43 1HG1 VAL 43 6.050 -1.223 3.551 342 HG12 VAL 43 2HG1 VAL 43 5.992 -1.180 5.313 343 HG13 VAL 43 3HG1 VAL 43 7.428 -0.607 4.464 344 HG21 VAL 43 1HG2 VAL 43 5.717 0.945 6.502 345 HG22 VAL 43 2HG2 VAL 43 5.641 2.467 5.616 346 HG23 VAL 43 3HG2 VAL 43 7.166 1.591 5.734 347 H ALA 44 H ALA 44 4.008 1.265 1.988 348 HA ALA 44 HA ALA 44 4.448 -1.055 0.467 349 HB1 ALA 44 1HB ALA 44 2.222 -0.214 1.070 350 HB2 ALA 44 2HB ALA 44 2.374 -0.514 -0.661 351 HB3 ALA 44 3HB ALA 44 2.444 1.137 -0.045 352 H GLU 45 H GLU 45 4.874 2.349 -0.275 353 HA GLU 45 HA GLU 45 5.439 2.192 -2.999 354 HB2 GLU 45 2HB GLU 45 5.215 4.304 -1.720 355 HB3 GLU 45 1HB GLU 45 6.751 3.971 -0.933 356 HG2 GLU 45 2HG GLU 45 7.794 3.979 -3.223 357 HG3 GLU 45 1HG GLU 45 6.260 4.610 -3.825 358 H LYS 46 H LYS 46 7.641 1.952 -0.219 359 HA LYS 46 HA LYS 46 10.009 1.426 -1.604 360 HB2 LYS 46 2HB LYS 46 9.159 0.453 1.116 361 HB3 LYS 46 1HB LYS 46 10.796 0.385 0.491 362 HG2 LYS 46 2HG LYS 46 10.924 2.778 0.424 363 HG3 LYS 46 1HG LYS 46 9.231 2.914 0.916 364 HD2 LYS 46 2HD LYS 46 9.796 1.690 2.989 365 HD3 LYS 46 1HD LYS 46 11.492 1.723 2.514 366 HE2 LYS 46 2HE LYS 46 11.466 4.156 2.556 367 HE3 LYS 46 1HE LYS 46 9.755 4.142 2.988 368 HZ1 LYS 46 1HZ LYS 46 11.919 2.942 4.637 369 HZ2 LYS 46 2HZ LYS 46 10.283 3.080 5.060 370 HZ3 LYS 46 3HZ LYS 46 11.236 4.473 4.907 371 H THR 47 H THR 47 7.648 -0.800 -0.187 372 HA THR 47 HA THR 47 8.922 -3.196 -0.794 373 HB THR 47 HB THR 47 5.924 -2.798 -0.742 374 HG1 THR 47 1HG THR 47 7.335 -3.473 1.579 375 HG21 THR 47 1HG2 THR 47 6.683 -5.036 -1.385 376 HG22 THR 47 2HG2 THR 47 5.924 -5.059 0.207 377 HG23 THR 47 3HG2 THR 47 7.681 -5.119 0.068 378 H TYR 48 H TYR 48 6.483 -1.404 -2.695 379 HA TYR 48 HA TYR 48 6.441 -3.295 -4.814 380 HD1 TYR 48 2HD TYR 48 4.583 -3.746 -6.145 381 HD2 TYR 48 1HD TYR 48 5.284 0.343 -7.087 382 HE1 TYR 48 2HE TYR 48 3.895 -4.169 -8.462 383 HE2 TYR 48 1HE TYR 48 4.590 -0.070 -9.413 384 HH TYR 48 HH TYR 48 3.028 -2.967 -10.384 385 HB2 TYR 48 2HB TYR 48 4.602 -1.680 -4.375 386 HB3 TYR 48 1HB TYR 48 5.654 -0.378 -4.924 387 H GLU 49 H GLU 49 8.174 -0.238 -4.323 388 HA GLU 49 HA GLU 49 9.449 -0.084 -6.799 389 HB2 GLU 49 2HB GLU 49 9.944 1.001 -4.087 390 HB3 GLU 49 1HB GLU 49 11.315 0.987 -5.187 391 HG2 GLU 49 2HG GLU 49 8.645 2.207 -5.836 392 HG3 GLU 49 1HG GLU 49 10.018 3.105 -5.189 393 H ALA 50 H ALA 50 10.357 -1.822 -3.859 394 HA ALA 50 HA ALA 50 12.872 -2.730 -4.661 395 HB1 ALA 50 1HB ALA 50 10.863 -4.190 -2.948 396 HB2 ALA 50 2HB ALA 50 11.992 -2.964 -2.376 397 HB3 ALA 50 3HB ALA 50 12.597 -4.494 -3.011 398 H TYR 51 H TYR 51 9.709 -4.360 -5.021 399 HA TYR 51 HA TYR 51 10.725 -6.576 -6.416 400 HD1 TYR 51 2HD TYR 51 10.102 -7.981 -4.929 401 HD2 TYR 51 1HD TYR 51 6.558 -5.652 -4.694 402 HE1 TYR 51 2HE TYR 51 9.693 -8.845 -2.664 403 HE2 TYR 51 1HE TYR 51 6.144 -6.500 -2.426 404 HH TYR 51 HH TYR 51 6.711 -8.271 -0.994 405 HB2 TYR 51 2HB TYR 51 7.946 -5.386 -6.522 406 HB3 TYR 51 1HB TYR 51 8.395 -6.996 -7.066 407 H ARG 52 H ARG 52 9.524 -3.440 -7.480 408 HA ARG 52 HA ARG 52 9.574 -3.939 -10.251 409 HE ARG 52 HE ARG 52 9.481 -0.548 -13.324 410 HB2 ARG 52 2HB ARG 52 8.476 -1.970 -9.241 411 HB3 ARG 52 1HB ARG 52 10.053 -1.328 -8.801 412 HG2 ARG 52 2HG ARG 52 9.227 -0.242 -10.786 413 HG3 ARG 52 1HG ARG 52 10.654 -1.205 -11.171 414 HD2 ARG 52 2HD ARG 52 9.181 -3.013 -11.977 415 HD3 ARG 52 1HD ARG 52 7.781 -1.993 -11.654 416 HH11 ARG 52 1HH1 ARG 52 7.581 -3.494 -13.445 417 HH12 ARG 52 2HH1 ARG 52 7.357 -3.430 -15.167 418 HH21 ARG 52 1HH2 ARG 52 9.145 -0.447 -15.592 419 HH22 ARG 52 2HH2 ARG 52 8.223 -1.695 -16.385 420 H GLN 53 H GLN 53 11.991 -2.483 -8.101 421 HA GLN 53 HA GLN 53 14.080 -2.136 -9.875 422 HB2 GLN 53 2HB GLN 53 14.054 -2.851 -6.950 423 HB3 GLN 53 1HB GLN 53 15.556 -2.567 -7.819 424 HG2 GLN 53 2HG GLN 53 14.953 -0.322 -8.283 425 HG3 GLN 53 1HG GLN 53 13.308 -0.578 -7.705 426 HE21 GLN 53 1HE2 GLN 53 13.471 1.094 -6.230 427 HE22 GLN 53 2HE2 GLN 53 14.419 0.978 -4.787 428 H LEU 54 H LEU 54 13.338 -5.055 -7.956 429 HA LEU 54 HA LEU 54 15.418 -6.647 -8.926 430 HG LEU 54 HG LEU 54 15.575 -8.076 -7.039 431 HB2 LEU 54 2HB LEU 54 12.771 -7.186 -7.689 432 HB3 LEU 54 1HB LEU 54 13.558 -8.513 -8.508 433 HD11 LEU 54 1HD1 LEU 54 15.022 -5.814 -6.346 434 HD12 LEU 54 2HD1 LEU 54 15.180 -6.882 -4.951 435 HD13 LEU 54 3HD1 LEU 54 13.580 -6.406 -5.522 436 HD21 LEU 54 1HD2 LEU 54 12.989 -8.905 -5.732 437 HD22 LEU 54 2HD2 LEU 54 14.607 -9.268 -5.130 438 HD23 LEU 54 3HD2 LEU 54 14.064 -9.942 -6.667 439 H ASP 55 H ASP 55 12.100 -6.269 -10.129 440 HA ASP 55 HA ASP 55 12.314 -8.207 -12.171 441 HB2 ASP 55 2HB ASP 55 10.175 -7.300 -11.203 442 HB3 ASP 55 1HB ASP 55 10.448 -5.826 -12.128 443 H GLU 56 H GLU 56 12.678 -4.664 -12.231 444 HA GLU 56 HA GLU 56 13.150 -4.358 -14.944 445 HB2 GLU 56 2HB GLU 56 12.632 -2.597 -13.231 446 HB3 GLU 56 1HB GLU 56 14.287 -2.748 -12.654 447 HG2 GLU 56 2HG GLU 56 15.037 -2.206 -14.941 448 HG3 GLU 56 1HG GLU 56 13.364 -1.857 -15.346 449 H PHE 57 H PHE 57 15.309 -5.002 -12.227 450 HA PHE 57 HA PHE 57 17.739 -4.901 -13.657 451 HD1 PHE 57 2HD PHE 57 19.680 -4.347 -12.781 452 HD2 PHE 57 1HD PHE 57 18.882 -7.777 -10.389 453 HE1 PHE 57 2HE PHE 57 22.094 -4.782 -12.607 454 HE2 PHE 57 1HE PHE 57 21.296 -8.217 -10.211 455 HZ PHE 57 HZ PHE 57 22.904 -6.719 -11.318 456 HB2 PHE 57 2HB PHE 57 17.449 -4.845 -11.150 457 HB3 PHE 57 1HB PHE 57 17.126 -6.573 -11.211 458 H ARG 58 H ARG 58 15.464 -7.510 -12.957 459 HA ARG 58 HA ARG 58 16.946 -9.615 -14.094 460 HE ARG 58 HE ARG 58 17.289 -11.161 -13.607 461 HB2 ARG 58 2HB ARG 58 14.032 -9.195 -13.486 462 HB3 ARG 58 1HB ARG 58 14.595 -10.663 -14.258 463 HG2 ARG 58 2HG ARG 58 15.964 -9.813 -11.776 464 HG3 ARG 58 1HG ARG 58 14.325 -10.446 -11.635 465 HD2 ARG 58 2HD ARG 58 15.966 -12.219 -11.339 466 HD3 ARG 58 1HD ARG 58 15.008 -12.487 -12.790 467 HH11 ARG 58 1HH1 ARG 58 16.564 -14.140 -11.931 468 HH12 ARG 58 2HH1 ARG 58 17.885 -15.022 -12.646 469 HH21 ARG 58 1HH2 ARG 58 19.061 -12.306 -14.530 470 HH22 ARG 58 2HH2 ARG 58 19.316 -13.972 -14.115 471 H LYS 59 H LYS 59 14.463 -7.451 -15.434 472 HA LYS 59 HA LYS 59 14.232 -8.600 -17.972 473 HB2 LYS 59 2HB LYS 59 13.566 -6.036 -16.739 474 HB3 LYS 59 1HB LYS 59 13.978 -5.885 -18.439 475 HG2 LYS 59 2HG LYS 59 11.639 -6.151 -18.321 476 HG3 LYS 59 1HG LYS 59 12.289 -7.684 -18.903 477 HD2 LYS 59 2HD LYS 59 12.063 -8.650 -16.694 478 HD3 LYS 59 1HD LYS 59 11.523 -7.100 -16.043 479 HE2 LYS 59 2HE LYS 59 9.588 -7.186 -17.597 480 HE3 LYS 59 1HE LYS 59 10.106 -8.795 -18.093 481 HZ1 LYS 59 1HZ LYS 59 9.363 -8.012 -15.326 482 HZ2 LYS 59 2HZ LYS 59 9.812 -9.567 -15.839 483 HZ3 LYS 59 3HZ LYS 59 8.371 -8.872 -16.404 484 H SER 60 H SER 60 16.421 -6.043 -16.830 485 HA SER 60 HA SER 60 17.549 -5.588 -19.385 486 HG SER 60 HG SER 60 17.447 -4.563 -15.915 487 HB2 SER 60 2HB SER 60 19.343 -4.370 -17.990 488 HB3 SER 60 1HB SER 60 17.689 -3.763 -17.929 489 H THR 61 H THR 61 18.630 -7.481 -16.602 490 HA THR 61 HA THR 61 21.124 -8.163 -17.780 491 HB THR 61 HB THR 61 20.751 -8.250 -15.329 492 HG1 THR 61 1HG THR 61 21.626 -10.637 -15.284 493 HG21 THR 61 1HG2 THR 61 18.520 -9.237 -15.283 494 HG22 THR 61 2HG2 THR 61 19.650 -10.219 -14.352 495 HG23 THR 61 3HG2 THR 61 19.156 -10.734 -15.964 496 H ALA 62 H ALA 62 17.923 -9.671 -17.834 497 HA ALA 62 HA ALA 62 18.737 -12.165 -18.895 498 HB1 ALA 62 1HB ALA 62 16.535 -11.799 -17.877 499 HB2 ALA 62 2HB ALA 62 16.403 -12.487 -19.495 500 HB3 ALA 62 3HB ALA 62 16.082 -10.771 -19.236 501 H SER 63 H SER 63 17.841 -9.116 -20.384 502 HA SER 63 HA SER 63 17.896 -10.068 -23.059 503 HG SER 63 HG SER 63 16.327 -7.891 -21.288 504 HB2 SER 63 2HB SER 63 18.287 -7.239 -22.051 505 HB3 SER 63 1HB SER 63 17.822 -7.717 -23.684 506 H LEU 64 H LEU 64 20.300 -8.774 -20.864 507 HA LEU 64 HA LEU 64 22.305 -8.370 -22.855 508 HG LEU 64 HG LEU 64 23.533 -6.122 -20.280 509 HB2 LEU 64 2HB LEU 64 22.029 -7.997 -19.984 510 HB3 LEU 64 1HB LEU 64 23.622 -8.572 -20.436 511 HD11 LEU 64 1HD1 LEU 64 23.921 -7.125 -23.098 512 HD12 LEU 64 2HD1 LEU 64 25.119 -7.181 -21.806 513 HD13 LEU 64 3HD1 LEU 64 24.568 -5.627 -22.427 514 HD21 LEU 64 1HD2 LEU 64 21.212 -5.765 -20.909 515 HD22 LEU 64 2HD2 LEU 64 21.554 -6.319 -22.548 516 HD23 LEU 64 3HD2 LEU 64 22.289 -4.831 -21.951 517 H GLU 65 H GLU 65 21.705 -10.886 -20.426 518 HA GLU 65 HA GLU 65 24.119 -12.256 -20.907 519 HB2 GLU 65 2HB GLU 65 21.580 -13.004 -19.496 520 HB3 GLU 65 1HB GLU 65 22.930 -14.104 -19.633 521 HG2 GLU 65 2HG GLU 65 24.353 -12.340 -18.543 522 HG3 GLU 65 1HG GLU 65 22.856 -11.463 -18.224 523 H HIS 66 H HIS 66 21.239 -12.203 -22.649 524 HA HIS 66 HA HIS 66 21.586 -14.870 -23.753 525 HD1 HIS 66 1HD HIS 66 18.033 -13.934 -26.426 526 HD2 HIS 66 2HD HIS 66 20.134 -16.683 -24.109 527 HE1 HIS 66 1HE HIS 66 17.405 -16.206 -27.317 528 HE2 HIS 66 2HE HIS 66 18.536 -17.850 -25.774 529 HB2 HIS 66 2HB HIS 66 19.320 -13.641 -23.337 530 HB3 HIS 66 1HB HIS 66 19.670 -12.835 -24.864 531 H HIS 67 H HIS 67 22.406 -11.607 -24.429 532 HA HIS 67 HA HIS 67 23.823 -10.640 -25.885 533 HD1 HIS 67 1HD HIS 67 26.261 -10.025 -25.888 534 HD2 HIS 67 2HD HIS 67 26.517 -13.169 -28.605 535 HE1 HIS 67 1HE HIS 67 28.101 -9.397 -27.488 536 HE2 HIS 67 2HE HIS 67 28.159 -11.253 -29.195 537 HB2 HIS 67 2HB HIS 67 25.227 -12.604 -25.186 538 HB3 HIS 67 1HB HIS 67 24.690 -13.431 -26.643 539 H HIS 68 H HIS 68 21.125 -11.941 -26.856 540 HA HIS 68 HA HIS 68 21.678 -11.650 -29.721 541 HD1 HIS 68 1HD HIS 68 17.593 -11.202 -30.082 542 HD2 HIS 68 2HD HIS 68 20.335 -13.799 -31.825 543 HE1 HIS 68 1HE HIS 68 16.916 -11.388 -32.494 544 HE2 HIS 68 2HE HIS 68 18.428 -13.161 -33.453 545 HB2 HIS 68 2HB HIS 68 20.294 -13.598 -29.043 546 HB3 HIS 68 1HB HIS 68 19.095 -12.493 -28.378 547 H HIS 69 H HIS 69 21.773 -9.577 -30.253 548 HA HIS 69 HA HIS 69 19.466 -7.907 -29.851 549 HD1 HIS 69 1HD HIS 69 22.459 -4.711 -28.719 550 HD2 HIS 69 2HD HIS 69 18.417 -5.663 -28.406 551 HE1 HIS 69 1HE HIS 69 21.245 -2.510 -28.627 552 HE2 HIS 69 2HE HIS 69 18.825 -3.107 -28.236 553 HB2 HIS 69 2HB HIS 69 20.621 -7.603 -27.706 554 HB3 HIS 69 1HB HIS 69 22.097 -7.154 -28.552 555 H HIS 70 H HIS 70 19.249 -7.330 -31.924 556 HA HIS 70 HA HIS 70 21.565 -5.981 -33.151 557 HD1 HIS 70 1HD HIS 70 22.318 -5.290 -35.343 558 HD2 HIS 70 2HD HIS 70 18.966 -6.992 -37.121 559 HE1 HIS 70 1HE HIS 70 22.197 -4.306 -37.653 560 HE2 HIS 70 2HE HIS 70 20.302 -5.522 -38.777 561 HB2 HIS 70 2HB HIS 70 21.076 -7.958 -34.449 562 HB3 HIS 70 1HB HIS 70 19.362 -7.556 -34.499 563 H HIS 71 H HIS 71 21.313 -3.904 -33.613 564 HA HIS 71 HA HIS 71 18.717 -2.802 -34.224 565 HD1 HIS 71 1HD HIS 71 19.539 0.719 -32.000 566 HD2 HIS 71 2HD HIS 71 16.346 -1.862 -32.664 567 HE1 HIS 71 1HE HIS 71 17.494 2.183 -32.115 568 HE2 HIS 71 2HE HIS 71 15.557 0.580 -32.353 569 HB2 HIS 71 2HB HIS 71 18.894 -2.853 -31.677 570 HB3 HIS 71 1HB HIS 71 20.200 -1.683 -31.838 571 HA MET 1 HA MET 1 -22.006 23.498 5.361 572 H1 MET 1 1H MET 1 -22.427 25.516 4.098 573 H2 MET 1 2H MET 1 -23.426 26.090 5.342 574 H3 MET 1 3H MET 1 -23.857 24.690 4.491 575 HB2 MET 1 2HB MET 1 -21.369 26.120 6.717 576 HB3 MET 1 1HB MET 1 -20.676 24.584 7.221 577 HG2 MET 1 2HG MET 1 -20.355 25.900 4.535 578 HG3 MET 1 1HG MET 1 -19.133 25.780 5.801 579 HE1 MET 1 1HE MET 1 -17.396 24.766 4.066 580 HE2 MET 1 2HE MET 1 -18.605 24.906 2.790 581 HE3 MET 1 3HE MET 1 -17.747 23.385 3.028 582 H SER 2 H SER 2 -23.424 22.183 6.286 583 HA SER 2 HA SER 2 -24.202 22.713 9.017 584 HG SER 2 HG SER 2 -25.276 24.492 7.867 585 HB2 SER 2 2HB SER 2 -26.312 22.260 6.885 586 HB3 SER 2 1HB SER 2 -26.608 22.259 8.623 587 H GLU 3 H GLU 3 -25.560 20.677 9.773 588 HA GLU 3 HA GLU 3 -24.323 18.324 8.538 589 HB2 GLU 3 2HB GLU 3 -23.187 19.019 10.658 590 HB3 GLU 3 1HB GLU 3 -24.706 18.767 11.506 591 HG2 GLU 3 2HG GLU 3 -23.145 16.885 11.742 592 HG3 GLU 3 1HG GLU 3 -24.667 16.421 10.975 593 H GLY 4 H GLY 4 -25.504 16.480 8.531 594 HA2 GLY 4 2HA GLY 4 -28.261 16.631 9.575 595 HA3 GLY 4 1HA GLY 4 -27.943 16.036 7.953 596 H ALA 5 H ALA 5 -28.553 15.101 11.009 597 HA ALA 5 HA ALA 5 -26.581 13.240 11.677 598 HB1 ALA 5 1HB ALA 5 -28.169 12.350 13.272 599 HB2 ALA 5 2HB ALA 5 -29.493 13.166 12.441 600 HB3 ALA 5 3HB ALA 5 -28.244 14.111 13.249 601 H GLU 6 H GLU 6 -29.439 12.861 9.664 602 HA GLU 6 HA GLU 6 -29.327 10.002 9.592 603 HB2 GLU 6 2HB GLU 6 -30.739 11.970 7.783 604 HB3 GLU 6 1HB GLU 6 -31.009 10.230 7.796 605 HG2 GLU 6 2HG GLU 6 -31.802 10.344 10.067 606 HG3 GLU 6 1HG GLU 6 -31.474 12.070 10.127 607 H GLU 7 H GLU 7 -28.569 12.533 7.245 608 HA GLU 7 HA GLU 7 -27.420 10.916 5.287 609 HB2 GLU 7 2HB GLU 7 -26.930 13.796 6.045 610 HB3 GLU 7 1HB GLU 7 -26.292 13.043 4.600 611 HG2 GLU 7 2HG GLU 7 -28.573 12.583 3.835 612 HG3 GLU 7 1HG GLU 7 -29.199 13.386 5.276 613 H LEU 8 H LEU 8 -26.064 12.494 8.124 614 HA LEU 8 HA LEU 8 -23.365 12.014 7.798 615 HG LEU 8 HG LEU 8 -22.397 13.419 9.649 616 HB2 LEU 8 2HB LEU 8 -24.835 13.168 9.680 617 HB3 LEU 8 1HB LEU 8 -24.667 11.611 10.459 618 HD11 LEU 8 1HD1 LEU 8 -23.573 12.800 12.352 619 HD12 LEU 8 2HD1 LEU 8 -23.682 14.333 11.487 620 HD13 LEU 8 3HD1 LEU 8 -22.118 13.753 12.060 621 HD21 LEU 8 1HD2 LEU 8 -22.367 10.850 11.230 622 HD22 LEU 8 2HD2 LEU 8 -20.982 11.904 10.943 623 HD23 LEU 8 3HD2 LEU 8 -21.747 11.065 9.594 624 H LYS 9 H LYS 9 -25.827 9.962 9.322 625 HA LYS 9 HA LYS 9 -24.034 7.898 10.035 626 HB2 LYS 9 2HB LYS 9 -26.416 8.446 10.934 627 HB3 LYS 9 1HB LYS 9 -26.970 7.445 9.602 628 HG2 LYS 9 2HG LYS 9 -26.829 6.173 11.668 629 HG3 LYS 9 1HG LYS 9 -25.684 5.562 10.470 630 HD2 LYS 9 2HD LYS 9 -23.861 6.696 11.555 631 HD3 LYS 9 1HD LYS 9 -24.969 7.513 12.657 632 HE2 LYS 9 2HE LYS 9 -24.488 4.539 12.530 633 HE3 LYS 9 1HE LYS 9 -23.819 5.638 13.736 634 HZ1 LYS 9 1HZ LYS 9 -26.223 6.226 14.230 635 HZ2 LYS 9 2HZ LYS 9 -25.681 4.703 14.744 636 HZ3 LYS 9 3HZ LYS 9 -26.638 4.833 13.350 637 H ALA 10 H ALA 10 -26.211 8.354 7.294 638 HA ALA 10 HA ALA 10 -25.785 5.817 6.124 639 HB1 ALA 10 1HB ALA 10 -27.696 7.242 5.561 640 HB2 ALA 10 2HB ALA 10 -26.789 6.768 4.124 641 HB3 ALA 10 3HB ALA 10 -26.605 8.392 4.787 642 H LYS 11 H LYS 11 -24.163 8.931 5.719 643 HA LYS 11 HA LYS 11 -22.505 8.059 3.556 644 HB2 LYS 11 2HB LYS 11 -23.150 10.471 4.157 645 HB3 LYS 11 1HB LYS 11 -21.910 10.375 5.397 646 HG2 LYS 11 2HG LYS 11 -21.028 11.455 3.427 647 HG3 LYS 11 1HG LYS 11 -20.235 9.895 3.659 648 HD2 LYS 11 2HD LYS 11 -21.645 8.890 1.967 649 HD3 LYS 11 1HD LYS 11 -22.542 10.397 1.779 650 HE2 LYS 11 2HE LYS 11 -19.598 10.053 1.221 651 HE3 LYS 11 1HE LYS 11 -20.863 10.013 -0.003 652 HZ1 LYS 11 1HZ LYS 11 -21.466 12.306 0.718 653 HZ2 LYS 11 2HZ LYS 11 -19.927 12.181 0.017 654 HZ3 LYS 11 3HZ LYS 11 -20.081 12.319 1.699 655 H LEU 12 H LEU 12 -22.033 8.520 7.037 656 HA LEU 12 HA LEU 12 -19.349 7.731 7.188 657 HG LEU 12 HG LEU 12 -19.569 6.056 9.840 658 HB2 LEU 12 2HB LEU 12 -20.538 8.803 9.040 659 HB3 LEU 12 1HB LEU 12 -21.564 7.393 9.214 660 HD11 LEU 12 1HD1 LEU 12 -18.164 8.723 9.826 661 HD12 LEU 12 2HD1 LEU 12 -17.874 7.396 8.702 662 HD13 LEU 12 3HD1 LEU 12 -17.496 7.201 10.415 663 HD21 LEU 12 1HD2 LEU 12 -21.007 7.032 11.554 664 HD22 LEU 12 2HD2 LEU 12 -20.050 8.512 11.524 665 HD23 LEU 12 3HD2 LEU 12 -19.322 7.004 12.077 666 H LYS 13 H LYS 13 -22.345 5.867 7.344 667 HA LYS 13 HA LYS 13 -21.293 3.344 7.878 668 HB2 LYS 13 2HB LYS 13 -23.689 3.916 7.893 669 HB3 LYS 13 1HB LYS 13 -23.663 4.069 6.148 670 HG2 LYS 13 2HG LYS 13 -23.279 1.737 5.867 671 HG3 LYS 13 1HG LYS 13 -23.008 1.516 7.599 672 HD2 LYS 13 2HD LYS 13 -25.299 2.027 8.084 673 HD3 LYS 13 1HD LYS 13 -25.598 2.505 6.414 674 HE2 LYS 13 2HE LYS 13 -24.840 -0.270 7.309 675 HE3 LYS 13 1HE LYS 13 -26.485 0.263 6.966 676 HZ1 LYS 13 1HZ LYS 13 -25.627 0.863 4.689 677 HZ2 LYS 13 2HZ LYS 13 -25.730 -0.791 5.034 678 HZ3 LYS 13 3HZ LYS 13 -24.226 -0.013 5.071 679 H LYS 14 H LYS 14 -22.004 4.844 4.736 680 HA LYS 14 HA LYS 14 -21.083 2.802 3.100 681 HB2 LYS 14 2HB LYS 14 -22.412 4.851 2.453 682 HB3 LYS 14 1HB LYS 14 -20.903 5.751 2.494 683 HG2 LYS 14 2HG LYS 14 -21.075 5.266 0.270 684 HG3 LYS 14 1HG LYS 14 -20.087 3.921 0.834 685 HD2 LYS 14 2HD LYS 14 -23.085 3.763 0.584 686 HD3 LYS 14 1HD LYS 14 -21.991 3.340 -0.722 687 HE2 LYS 14 2HE LYS 14 -20.921 1.683 0.818 688 HE3 LYS 14 1HE LYS 14 -22.202 2.033 1.977 689 HZ1 LYS 14 1HZ LYS 14 -22.596 0.956 -0.762 690 HZ2 LYS 14 2HZ LYS 14 -23.832 1.303 0.347 691 HZ3 LYS 14 3HZ LYS 14 -22.713 0.072 0.679 692 H LEU 15 H LEU 15 -19.317 5.617 4.372 693 HA LEU 15 HA LEU 15 -16.876 4.975 3.071 694 HG LEU 15 HG LEU 15 -16.465 8.523 3.880 695 HB2 LEU 15 2HB LEU 15 -17.709 6.870 5.200 696 HB3 LEU 15 1HB LEU 15 -16.004 6.482 5.096 697 HD11 LEU 15 1HD1 LEU 15 -14.721 7.059 3.015 698 HD12 LEU 15 2HD1 LEU 15 -15.529 7.922 1.708 699 HD13 LEU 15 3HD1 LEU 15 -15.906 6.226 2.010 700 HD21 LEU 15 1HD2 LEU 15 -18.366 6.877 2.215 701 HD22 LEU 15 2HD2 LEU 15 -17.908 8.552 1.912 702 HD23 LEU 15 3HD2 LEU 15 -18.819 8.135 3.365 703 H ASN 16 H ASN 16 -18.173 4.268 6.272 704 HA ASN 16 HA ASN 16 -15.826 3.121 7.337 705 HB2 ASN 16 2HB ASN 16 -17.832 3.843 8.665 706 HB3 ASN 16 1HB ASN 16 -18.674 2.416 8.069 707 HD21 ASN 16 1HD2 ASN 16 -16.162 3.604 10.143 708 HD22 ASN 16 2HD2 ASN 16 -15.908 2.137 11.024 709 H ALA 17 H ALA 17 -18.622 1.694 5.677 710 HA ALA 17 HA ALA 17 -17.780 -0.981 5.788 711 HB1 ALA 17 1HB ALA 17 -20.047 -0.340 5.164 712 HB2 ALA 17 2HB ALA 17 -19.321 -1.357 3.917 713 HB3 ALA 17 3HB ALA 17 -19.445 0.386 3.675 714 H GLN 18 H GLN 18 -17.079 1.609 3.502 715 HA GLN 18 HA GLN 18 -15.616 0.112 1.630 716 HB2 GLN 18 2HB GLN 18 -16.352 2.400 1.184 717 HB3 GLN 18 1HB GLN 18 -15.305 3.003 2.460 718 HG2 GLN 18 2HG GLN 18 -13.346 2.217 1.192 719 HG3 GLN 18 1HG GLN 18 -14.422 1.694 -0.102 720 HE21 GLN 18 1HE2 GLN 18 -16.204 3.979 0.245 721 HE22 GLN 18 2HE2 GLN 18 -15.378 5.339 -0.431 722 H ALA 19 H ALA 19 -14.427 2.110 4.344 723 HA ALA 19 HA ALA 19 -11.724 1.438 4.116 724 HB1 ALA 19 1HB ALA 19 -12.536 3.318 5.460 725 HB2 ALA 19 2HB ALA 19 -11.483 2.262 6.401 726 HB3 ALA 19 3HB ALA 19 -13.230 2.186 6.623 727 H THR 20 H THR 20 -14.337 -0.195 5.804 728 HA THR 20 HA THR 20 -12.752 -2.075 7.201 729 HB THR 20 HB THR 20 -15.630 -2.273 6.280 730 HG1 THR 20 1HG THR 20 -15.537 -0.598 7.678 731 HG21 THR 20 1HG2 THR 20 -14.173 -3.839 8.417 732 HG22 THR 20 2HG2 THR 20 -14.716 -4.476 6.865 733 HG23 THR 20 3HG2 THR 20 -15.897 -3.935 8.056 734 H ALA 21 H ALA 21 -14.050 -1.987 3.941 735 HA ALA 21 HA ALA 21 -13.607 -4.727 3.335 736 HB1 ALA 21 1HB ALA 21 -13.860 -2.372 1.470 737 HB2 ALA 21 2HB ALA 21 -15.190 -3.361 2.076 738 HB3 ALA 21 3HB ALA 21 -13.973 -4.071 1.013 739 H LEU 22 H LEU 22 -11.681 -1.784 2.891 740 HA LEU 22 HA LEU 22 -9.636 -3.007 1.373 741 HG LEU 22 HG LEU 22 -9.024 0.428 0.628 742 HB2 LEU 22 2HB LEU 22 -9.720 -0.470 2.973 743 HB3 LEU 22 1HB LEU 22 -8.236 -1.017 2.219 744 HD11 LEU 22 1HD1 LEU 22 -9.962 -0.847 -1.229 745 HD12 LEU 22 2HD1 LEU 22 -10.357 -2.164 -0.126 746 HD13 LEU 22 3HD1 LEU 22 -8.671 -1.735 -0.417 747 HD21 LEU 22 1HD2 LEU 22 -11.834 -0.506 1.187 748 HD22 LEU 22 2HD2 LEU 22 -11.368 0.730 0.018 749 HD23 LEU 22 3HD2 LEU 22 -11.106 1.003 1.740 750 H LYS 23 H LYS 23 -10.244 -2.885 4.790 751 HA LYS 23 HA LYS 23 -7.721 -3.557 5.764 752 HB2 LYS 23 2HB LYS 23 -9.584 -2.989 7.236 753 HB3 LYS 23 1HB LYS 23 -10.442 -4.439 6.749 754 HG2 LYS 23 2HG LYS 23 -7.748 -4.706 8.003 755 HG3 LYS 23 1HG LYS 23 -9.143 -4.342 9.018 756 HD2 LYS 23 2HD LYS 23 -10.282 -6.331 8.190 757 HD3 LYS 23 1HD LYS 23 -8.919 -6.690 7.132 758 HE2 LYS 23 2HE LYS 23 -8.882 -8.062 9.156 759 HE3 LYS 23 1HE LYS 23 -7.479 -7.001 9.070 760 HZ1 LYS 23 1HZ LYS 23 -8.816 -7.229 11.268 761 HZ2 LYS 23 2HZ LYS 23 -9.858 -6.099 10.545 762 HZ3 LYS 23 3HZ LYS 23 -8.224 -5.717 10.787 763 H MET 24 H MET 24 -10.318 -5.649 4.531 764 HA MET 24 HA MET 24 -8.813 -8.058 4.782 765 HB2 MET 24 2HB MET 24 -11.304 -7.327 3.261 766 HB3 MET 24 1HB MET 24 -10.557 -8.905 3.081 767 HG2 MET 24 2HG MET 24 -12.333 -9.072 4.655 768 HG3 MET 24 1HG MET 24 -10.807 -9.250 5.515 769 HE1 MET 24 1HE MET 24 -12.136 -8.889 7.793 770 HE2 MET 24 2HE MET 24 -13.643 -8.662 6.909 771 HE3 MET 24 3HE MET 24 -13.148 -7.486 8.128 772 H ASP 25 H ASP 25 -9.404 -5.762 2.167 773 HA ASP 25 HA ASP 25 -8.308 -7.201 0.043 774 HB2 ASP 25 2HB ASP 25 -9.614 -4.973 0.034 775 HB3 ASP 25 1HB ASP 25 -8.052 -4.209 0.295 776 H LEU 26 H LEU 26 -6.753 -4.962 2.309 777 HA LEU 26 HA LEU 26 -4.157 -5.262 1.123 778 HG LEU 26 HG LEU 26 -2.600 -4.624 3.793 779 HB2 LEU 26 2HB LEU 26 -4.784 -3.207 2.258 780 HB3 LEU 26 1HB LEU 26 -5.024 -4.080 3.757 781 HD11 LEU 26 1HD1 LEU 26 -1.089 -3.398 2.316 782 HD12 LEU 26 2HD1 LEU 26 -2.473 -2.745 1.440 783 HD13 LEU 26 3HD1 LEU 26 -2.147 -4.478 1.407 784 HD21 LEU 26 1HD2 LEU 26 -3.467 -2.727 5.049 785 HD22 LEU 26 2HD2 LEU 26 -3.277 -1.690 3.637 786 HD23 LEU 26 3HD2 LEU 26 -1.855 -2.378 4.420 787 H HIS 27 H HIS 27 -5.718 -6.489 4.080 788 HA HIS 27 HA HIS 27 -3.413 -7.674 5.162 789 HD1 HIS 27 1HD HIS 27 -6.377 -10.520 7.123 790 HD2 HIS 27 2HD HIS 27 -2.869 -8.335 7.612 791 HE1 HIS 27 1HE HIS 27 -5.046 -11.746 8.871 792 HE2 HIS 27 2HE HIS 27 -3.029 -10.283 9.301 793 HB2 HIS 27 2HB HIS 27 -5.509 -7.217 6.429 794 HB3 HIS 27 1HB HIS 27 -6.266 -8.569 5.595 795 H ASP 28 H ASP 28 -5.873 -8.942 2.983 796 HA ASP 28 HA ASP 28 -5.038 -11.638 3.021 797 HB2 ASP 28 2HB ASP 28 -7.215 -10.892 2.133 798 HB3 ASP 28 1HB ASP 28 -6.392 -10.088 0.800 799 H LEU 29 H LEU 29 -4.080 -8.872 1.069 800 HA LEU 29 HA LEU 29 -2.396 -10.332 -0.704 801 HG LEU 29 HG LEU 29 -0.385 -8.083 -1.335 802 HB2 LEU 29 2HB LEU 29 -3.403 -8.129 -1.237 803 HB3 LEU 29 1HB LEU 29 -2.373 -7.388 -0.027 804 HD11 LEU 29 1HD1 LEU 29 -0.715 -8.837 -3.651 805 HD12 LEU 29 2HD1 LEU 29 -2.447 -8.975 -3.344 806 HD13 LEU 29 3HD1 LEU 29 -1.311 -10.007 -2.473 807 HD21 LEU 29 1HD2 LEU 29 -0.665 -6.434 -3.112 808 HD22 LEU 29 2HD2 LEU 29 -1.336 -5.848 -1.590 809 HD23 LEU 29 3HD2 LEU 29 -2.409 -6.444 -2.855 810 H ALA 30 H ALA 30 -1.902 -8.607 2.324 811 HA ALA 30 HA ALA 30 0.914 -8.592 2.319 812 HB1 ALA 30 1HB ALA 30 -0.426 -7.172 3.792 813 HB2 ALA 30 2HB ALA 30 0.740 -8.129 4.707 814 HB3 ALA 30 3HB ALA 30 -0.961 -8.597 4.683 815 H GLU 31 H GLU 31 -1.405 -11.041 3.250 816 HA GLU 31 HA GLU 31 0.502 -12.722 4.562 817 HB2 GLU 31 2HB GLU 31 -2.311 -13.169 3.567 818 HB3 GLU 31 1HB GLU 31 -1.376 -14.396 4.401 819 HG2 GLU 31 2HG GLU 31 -1.895 -11.702 5.603 820 HG3 GLU 31 1HG GLU 31 -3.021 -13.048 5.782 821 H ASP 32 H ASP 32 -0.797 -12.400 1.324 822 HA ASP 32 HA ASP 32 0.661 -14.807 0.483 823 HB2 ASP 32 2HB ASP 32 -1.805 -14.646 -0.006 824 HB3 ASP 32 1HB ASP 32 -1.432 -13.320 -1.106 825 H LEU 33 H LEU 33 1.739 -12.125 1.006 826 HA LEU 33 HA LEU 33 2.552 -10.665 -1.110 827 HG LEU 33 HG LEU 33 2.253 -9.477 1.331 828 HB2 LEU 33 2HB LEU 33 3.795 -11.375 1.467 829 HB3 LEU 33 1HB LEU 33 4.837 -10.626 0.268 830 HD11 LEU 33 1HD1 LEU 33 5.110 -8.613 1.733 831 HD12 LEU 33 2HD1 LEU 33 4.072 -9.362 2.944 832 HD13 LEU 33 3HD1 LEU 33 3.679 -7.762 2.317 833 HD21 LEU 33 1HD2 LEU 33 4.219 -8.350 -0.663 834 HD22 LEU 33 2HD2 LEU 33 2.837 -7.491 0.017 835 HD23 LEU 33 3HD2 LEU 33 2.580 -8.898 -1.018 836 HA PRO 34 HA PRO 34 5.576 -10.898 -4.005 837 HB2 PRO 34 2HB PRO 34 6.538 -13.495 -2.845 838 HB3 PRO 34 1HB PRO 34 7.346 -12.452 -4.036 839 HG2 PRO 34 2HG PRO 34 7.582 -12.157 -1.258 840 HG3 PRO 34 1HG PRO 34 7.938 -10.895 -2.450 841 HD2 PRO 34 2HD PRO 34 5.903 -10.752 -0.509 842 HD3 PRO 34 1HD PRO 34 5.963 -9.765 -1.995 843 H THR 35 H THR 35 2.872 -12.456 -3.238 844 HA THR 35 HA THR 35 2.610 -12.984 -6.119 845 HB THR 35 HB THR 35 0.431 -14.187 -4.715 846 HG1 THR 35 1HG THR 35 1.749 -14.517 -2.945 847 HG21 THR 35 1HG2 THR 35 2.698 -15.397 -6.298 848 HG22 THR 35 2HG2 THR 35 1.180 -14.787 -6.957 849 HG23 THR 35 3HG2 THR 35 1.179 -16.198 -5.900 850 H GLY 36 H GLY 36 0.997 -11.832 -7.123 851 HA2 GLY 36 2HA GLY 36 -0.596 -10.187 -7.384 852 HA3 GLY 36 1HA GLY 36 -1.073 -10.460 -5.714 853 H TRP 37 H TRP 37 2.218 -9.845 -5.962 854 HA TRP 37 HA TRP 37 2.175 -7.549 -4.412 855 HD1 TRP 37 HD TRP 37 4.338 -10.887 -6.307 856 HE1 TRP 37 1HE TRP 37 5.492 -11.011 -8.607 857 HE3 TRP 37 3HE TRP 37 5.129 -5.893 -7.090 858 HZ2 TRP 37 2HZ TRP 37 6.593 -9.222 -10.497 859 HZ3 TRP 37 3HZ TRP 37 6.239 -5.184 -9.170 860 HH2 TRP 37 HH TRP 37 6.955 -6.816 -10.839 861 HB2 TRP 37 2HB TRP 37 4.577 -7.331 -4.987 862 HB3 TRP 37 1HB TRP 37 4.129 -8.961 -4.499 863 H ASN 38 H ASN 38 1.789 -7.856 -7.829 864 HA ASN 38 HA ASN 38 2.619 -5.303 -8.649 865 HB2 ASN 38 2HB ASN 38 2.044 -7.176 -10.186 866 HB3 ASN 38 1HB ASN 38 0.346 -6.941 -9.789 867 HD21 ASN 38 1HD2 ASN 38 -0.283 -6.407 -11.846 868 HD22 ASN 38 2HD2 ASN 38 0.185 -4.935 -12.624 869 H ARG 39 H ARG 39 -0.139 -6.362 -6.861 870 HA ARG 39 HA ARG 39 -1.647 -3.947 -7.441 871 HE ARG 39 HE ARG 39 -5.391 -5.268 -7.906 872 HB2 ARG 39 2HB ARG 39 -2.339 -6.323 -5.723 873 HB3 ARG 39 1HB ARG 39 -3.421 -5.016 -6.150 874 HG2 ARG 39 2HG ARG 39 -3.092 -5.663 -8.557 875 HG3 ARG 39 1HG ARG 39 -2.257 -7.100 -7.963 876 HD2 ARG 39 2HD ARG 39 -4.541 -7.678 -8.396 877 HD3 ARG 39 1HD ARG 39 -4.285 -7.670 -6.650 878 HH11 ARG 39 1HH1 ARG 39 -5.830 -8.061 -5.843 879 HH12 ARG 39 2HH1 ARG 39 -7.358 -7.517 -5.215 880 HH21 ARG 39 1HH2 ARG 39 -7.399 -4.551 -7.108 881 HH22 ARG 39 2HH2 ARG 39 -8.271 -5.529 -5.956 882 H ILE 40 H ILE 40 0.801 -4.639 -5.383 883 HA ILE 40 HA ILE 40 -0.091 -3.986 -2.830 884 HB ILE 40 HB ILE 40 2.604 -3.579 -4.109 885 HG12 ILE 40 2HG1 ILE 40 1.571 -5.539 -2.044 886 HG13 ILE 40 1HG1 ILE 40 1.889 -5.898 -3.735 887 HG21 ILE 40 1HG2 ILE 40 2.364 -1.897 -2.359 888 HG22 ILE 40 2HG2 ILE 40 3.509 -3.145 -1.876 889 HG23 ILE 40 3HG2 ILE 40 1.876 -3.144 -1.208 890 HD11 ILE 40 1HD1 ILE 40 4.262 -5.421 -3.389 891 HD12 ILE 40 2HD1 ILE 40 3.680 -6.717 -2.343 892 HD13 ILE 40 3HD1 ILE 40 3.935 -5.102 -1.686 893 H MET 41 H MET 41 1.167 -1.795 -5.338 894 HA MET 41 HA MET 41 0.919 0.517 -3.701 895 HB2 MET 41 2HB MET 41 2.458 0.434 -5.609 896 HB3 MET 41 1HB MET 41 1.094 0.324 -6.712 897 HG2 MET 41 2HG MET 41 0.427 2.528 -6.289 898 HG3 MET 41 1HG MET 41 1.431 2.645 -4.843 899 HE1 MET 41 1HE MET 41 4.047 2.930 -4.866 900 HE2 MET 41 2HE MET 41 5.034 2.814 -6.324 901 HE3 MET 41 3HE MET 41 4.159 1.400 -5.736 902 H GLU 42 H GLU 42 -1.201 -1.057 -6.003 903 HA GLU 42 HA GLU 42 -3.201 0.922 -6.178 904 HB2 GLU 42 2HB GLU 42 -3.036 -1.105 -7.633 905 HB3 GLU 42 1HB GLU 42 -3.550 -2.083 -6.270 906 HG2 GLU 42 2HG GLU 42 -5.633 -0.631 -6.211 907 HG3 GLU 42 1HG GLU 42 -5.130 -0.041 -7.792 908 H VAL 43 H VAL 43 -2.979 -1.955 -4.112 909 HA VAL 43 HA VAL 43 -5.296 -1.407 -2.601 910 HB VAL 43 HB VAL 43 -2.888 -3.028 -1.760 911 HG11 VAL 43 1HG1 VAL 43 -4.319 -2.455 0.111 912 HG12 VAL 43 2HG1 VAL 43 -4.460 -4.171 -0.273 913 HG13 VAL 43 3HG1 VAL 43 -5.729 -3.050 -0.765 914 HG21 VAL 43 1HG2 VAL 43 -5.407 -3.859 -3.199 915 HG22 VAL 43 2HG2 VAL 43 -4.190 -4.965 -2.562 916 HG23 VAL 43 3HG2 VAL 43 -3.772 -3.846 -3.860 917 H ALA 44 H ALA 44 -1.893 -0.550 -2.102 918 HA ALA 44 HA ALA 44 -2.157 0.601 0.441 919 HB1 ALA 44 1HB ALA 44 -0.115 1.819 -0.069 920 HB2 ALA 44 2HB ALA 44 -0.293 1.428 -1.781 921 HB3 ALA 44 3HB ALA 44 0.010 0.145 -0.607 922 H GLU 45 H GLU 45 -2.588 1.971 -2.797 923 HA GLU 45 HA GLU 45 -3.165 4.600 -2.068 924 HB2 GLU 45 2HB GLU 45 -3.705 2.863 -4.414 925 HB3 GLU 45 1HB GLU 45 -4.640 4.340 -4.285 926 HG2 GLU 45 2HG GLU 45 -2.593 5.651 -4.178 927 HG3 GLU 45 1HG GLU 45 -1.637 4.173 -4.253 928 H LYS 46 H LYS 46 -5.360 1.824 -2.516 929 HA LYS 46 HA LYS 46 -7.768 3.141 -1.922 930 HB2 LYS 46 2HB LYS 46 -7.119 0.305 -1.155 931 HB3 LYS 46 1HB LYS 46 -8.702 0.990 -1.481 932 HG2 LYS 46 2HG LYS 46 -8.216 1.170 -3.808 933 HG3 LYS 46 1HG LYS 46 -6.532 0.696 -3.538 934 HD2 LYS 46 2HD LYS 46 -7.541 -1.413 -2.465 935 HD3 LYS 46 1HD LYS 46 -9.020 -0.956 -3.309 936 HE2 LYS 46 2HE LYS 46 -7.935 -1.084 -5.426 937 HE3 LYS 46 1HE LYS 46 -6.357 -1.288 -4.670 938 HZ1 LYS 46 1HZ LYS 46 -7.054 -3.407 -5.389 939 HZ2 LYS 46 2HZ LYS 46 -8.599 -3.229 -4.718 940 HZ3 LYS 46 3HZ LYS 46 -7.256 -3.405 -3.701 941 H THR 47 H THR 47 -5.550 1.337 0.163 942 HA THR 47 HA THR 47 -7.026 1.502 2.532 943 HB THR 47 HB THR 47 -4.019 1.287 2.259 944 HG1 THR 47 1HG THR 47 -4.952 -0.373 1.087 945 HG21 THR 47 1HG2 THR 47 -4.161 0.090 4.406 946 HG22 THR 47 2HG2 THR 47 -5.893 0.421 4.467 947 HG23 THR 47 3HG2 THR 47 -4.738 1.751 4.548 948 H TYR 48 H TYR 48 -4.319 3.506 1.383 949 HA TYR 48 HA TYR 48 -4.229 5.245 3.577 950 HD1 TYR 48 1HD TYR 48 -1.735 6.745 3.783 951 HD2 TYR 48 2HD TYR 48 -3.978 8.037 0.404 952 HE1 TYR 48 1HE TYR 48 -1.172 9.082 4.305 953 HE2 TYR 48 2HE TYR 48 -3.413 10.373 0.913 954 HH TYR 48 HH TYR 48 -0.995 11.296 2.929 955 HB2 TYR 48 2HB TYR 48 -2.409 5.172 1.966 956 HB3 TYR 48 1HB TYR 48 -3.478 5.727 0.683 957 H GLU 49 H GLU 49 -5.919 5.524 0.468 958 HA GLU 49 HA GLU 49 -7.067 8.036 0.902 959 HB2 GLU 49 2HB GLU 49 -7.592 5.735 -0.910 960 HB3 GLU 49 1HB GLU 49 -8.819 6.980 -0.793 961 HG2 GLU 49 2HG GLU 49 -5.935 7.455 -1.504 962 HG3 GLU 49 1HG GLU 49 -7.262 7.335 -2.659 963 H ALA 50 H ALA 50 -8.354 4.786 1.541 964 HA ALA 50 HA ALA 50 -10.946 5.590 2.253 965 HB1 ALA 50 1HB ALA 50 -10.329 3.273 1.699 966 HB2 ALA 50 2HB ALA 50 -11.190 3.386 3.235 967 HB3 ALA 50 3HB ALA 50 -9.440 3.162 3.220 968 H TYR 51 H TYR 51 -8.148 4.856 4.352 969 HA TYR 51 HA TYR 51 -9.558 5.470 6.733 970 HD1 TYR 51 1HD TYR 51 -8.990 3.989 8.794 971 HD2 TYR 51 2HD TYR 51 -6.568 2.822 5.501 972 HE1 TYR 51 1HE TYR 51 -9.443 1.628 9.307 973 HE2 TYR 51 2HE TYR 51 -7.017 0.456 6.001 974 HH TYR 51 HH TYR 51 -7.720 -0.948 7.810 975 HB2 TYR 51 2HB TYR 51 -6.641 5.067 6.114 976 HB3 TYR 51 1HB TYR 51 -7.193 5.514 7.722 977 H ARG 52 H ARG 52 -7.419 7.342 4.626 978 HA ARG 52 HA ARG 52 -7.231 9.598 6.314 979 HE ARG 52 HE ARG 52 -6.587 13.586 2.828 980 HB2 ARG 52 2HB ARG 52 -5.689 9.407 4.481 981 HB3 ARG 52 1HB ARG 52 -7.004 9.369 3.308 982 HG2 ARG 52 2HG ARG 52 -7.584 11.658 3.841 983 HG3 ARG 52 1HG ARG 52 -6.347 11.702 5.093 984 HD2 ARG 52 2HD ARG 52 -4.606 11.497 3.453 985 HD3 ARG 52 1HD ARG 52 -5.787 11.243 2.167 986 HH11 ARG 52 1HH1 ARG 52 -3.231 12.521 2.988 987 HH12 ARG 52 2HH1 ARG 52 -2.595 14.124 2.781 988 HH21 ARG 52 1HH2 ARG 52 -5.707 15.690 2.555 989 HH22 ARG 52 2HH2 ARG 52 -3.980 15.908 2.556 990 H GLN 53 H GLN 53 -9.397 8.895 3.581 991 HA GLN 53 HA GLN 53 -10.931 11.238 3.709 992 HB2 GLN 53 2HB GLN 53 -11.026 9.696 1.806 993 HB3 GLN 53 1HB GLN 53 -11.749 8.460 2.824 994 HG2 GLN 53 2HG GLN 53 -13.429 9.506 1.445 995 HG3 GLN 53 1HG GLN 53 -13.716 9.873 3.145 996 HE21 GLN 53 1HE2 GLN 53 -14.920 11.701 2.681 997 HE22 GLN 53 2HE2 GLN 53 -14.207 13.155 2.056 998 H LEU 54 H LEU 54 -11.285 8.141 5.381 999 HA LEU 54 HA LEU 54 -13.750 8.617 6.613 1000 HG LEU 54 HG LEU 54 -13.262 7.360 9.374 1001 HB2 LEU 54 2HB LEU 54 -12.531 6.443 6.589 1002 HB3 LEU 54 1HB LEU 54 -11.402 7.098 7.759 1003 HD11 LEU 54 1HD1 LEU 54 -14.870 5.921 7.266 1004 HD12 LEU 54 2HD1 LEU 54 -15.101 7.588 7.797 1005 HD13 LEU 54 3HD1 LEU 54 -15.398 6.256 8.914 1006 HD21 LEU 54 1HD2 LEU 54 -13.515 4.981 9.868 1007 HD22 LEU 54 2HD2 LEU 54 -11.856 5.367 9.413 1008 HD23 LEU 54 3HD2 LEU 54 -12.929 4.579 8.256 1009 H ASP 55 H ASP 55 -10.457 9.267 7.794 1010 HA ASP 55 HA ASP 55 -11.252 10.526 10.201 1011 HB2 ASP 55 2HB ASP 55 -8.997 9.677 9.947 1012 HB3 ASP 55 1HB ASP 55 -8.697 10.760 8.593 1013 H GLU 56 H GLU 56 -10.531 11.785 6.972 1014 HA GLU 56 HA GLU 56 -10.723 14.518 7.607 1015 HB2 GLU 56 2HB GLU 56 -11.070 12.972 5.055 1016 HB3 GLU 56 1HB GLU 56 -11.339 14.707 5.100 1017 HG2 GLU 56 2HG GLU 56 -9.010 14.882 6.106 1018 HG3 GLU 56 1HG GLU 56 -8.801 13.196 5.630 1019 H PHE 57 H PHE 57 -13.173 12.189 6.531 1020 HA PHE 57 HA PHE 57 -15.356 13.948 6.483 1021 HD1 PHE 57 2HD PHE 57 -17.581 13.099 5.155 1022 HD2 PHE 57 1HD PHE 57 -17.085 10.524 8.508 1023 HE1 PHE 57 2HE PHE 57 -20.018 13.075 5.495 1024 HE2 PHE 57 1HE PHE 57 -19.520 10.491 8.848 1025 HZ PHE 57 HZ PHE 57 -20.990 11.770 7.344 1026 HB2 PHE 57 2HB PHE 57 -15.489 11.701 5.551 1027 HB3 PHE 57 1HB PHE 57 -15.258 10.995 7.144 1028 H ARG 58 H ARG 58 -13.943 12.044 9.112 1029 HA ARG 58 HA ARG 58 -15.848 12.680 11.075 1030 HE ARG 58 HE ARG 58 -15.139 9.588 13.688 1031 HB2 ARG 58 2HB ARG 58 -12.943 11.895 11.321 1032 HB3 ARG 58 1HB ARG 58 -14.067 11.961 12.659 1033 HG2 ARG 58 2HG ARG 58 -15.473 10.277 11.494 1034 HG3 ARG 58 1HG ARG 58 -14.204 10.146 10.276 1035 HD2 ARG 58 2HD ARG 58 -13.795 8.380 11.763 1036 HD3 ARG 58 1HD ARG 58 -12.629 9.627 12.203 1037 HH11 ARG 58 1HH1 ARG 58 -11.702 8.863 13.611 1038 HH12 ARG 58 2HH1 ARG 58 -11.616 8.524 15.315 1039 HH21 ARG 58 1HH2 ARG 58 -15.011 9.124 15.925 1040 HH22 ARG 58 2HH2 ARG 58 -13.481 8.683 16.627 1041 H LYS 59 H LYS 59 -12.842 14.253 10.097 1042 HA LYS 59 HA LYS 59 -12.829 16.217 12.155 1043 HB2 LYS 59 2HB LYS 59 -11.021 15.415 10.318 1044 HB3 LYS 59 1HB LYS 59 -11.631 16.845 9.504 1045 HG2 LYS 59 2HG LYS 59 -10.529 16.835 12.304 1046 HG3 LYS 59 1HG LYS 59 -9.590 17.225 10.865 1047 HD2 LYS 59 2HD LYS 59 -11.174 19.069 10.388 1048 HD3 LYS 59 1HD LYS 59 -12.001 18.706 11.906 1049 HE2 LYS 59 2HE LYS 59 -9.923 19.145 13.130 1050 HE3 LYS 59 1HE LYS 59 -9.111 19.519 11.611 1051 HZ1 LYS 59 1HZ LYS 59 -10.792 21.315 11.306 1052 HZ2 LYS 59 2HZ LYS 59 -9.729 21.553 12.604 1053 HZ3 LYS 59 3HZ LYS 59 -11.318 21.028 12.896 1054 H SER 60 H SER 60 -14.139 16.075 8.893 1055 HA SER 60 HA SER 60 -15.051 18.722 8.732 1056 HG SER 60 HG SER 60 -17.081 18.717 7.378 1057 HB2 SER 60 2HB SER 60 -14.881 17.214 6.782 1058 HB3 SER 60 1HB SER 60 -16.208 16.249 7.424 1059 H THR 61 H THR 61 -16.776 15.756 9.647 1060 HA THR 61 HA THR 61 -19.209 17.078 10.202 1061 HB THR 61 HB THR 61 -19.138 14.682 9.684 1062 HG1 THR 61 1HG THR 61 -20.928 15.472 10.847 1063 HG21 THR 61 1HG2 THR 61 -17.104 14.051 10.874 1064 HG22 THR 61 2HG2 THR 61 -18.464 13.049 11.385 1065 HG23 THR 61 3HG2 THR 61 -17.898 14.364 12.417 1066 H ALA 62 H ALA 62 -16.443 16.263 12.262 1067 HA ALA 62 HA ALA 62 -17.627 16.789 14.750 1068 HB1 ALA 62 1HB ALA 62 -15.436 15.717 14.520 1069 HB2 ALA 62 2HB ALA 62 -15.360 17.119 15.588 1070 HB3 ALA 62 3HB ALA 62 -14.756 17.236 13.935 1071 H SER 63 H SER 63 -16.384 18.918 12.288 1072 HA SER 63 HA SER 63 -16.392 21.275 13.892 1073 HG SER 63 HG SER 63 -14.674 20.040 11.386 1074 HB2 SER 63 2HB SER 63 -16.537 21.033 10.876 1075 HB3 SER 63 1HB SER 63 -16.050 22.459 11.797 1076 H LEU 64 H LEU 64 -18.771 19.690 11.828 1077 HA LEU 64 HA LEU 64 -20.608 21.925 12.017 1078 HG LEU 64 HG LEU 64 -21.307 20.721 8.642 1079 HB2 LEU 64 2HB LEU 64 -20.642 19.299 10.588 1080 HB3 LEU 64 1HB LEU 64 -22.134 20.189 10.802 1081 HD11 LEU 64 1HD1 LEU 64 -20.642 22.989 10.509 1082 HD12 LEU 64 2HD1 LEU 64 -22.240 22.596 9.874 1083 HD13 LEU 64 3HD1 LEU 64 -20.963 23.128 8.781 1084 HD21 LEU 64 1HD2 LEU 64 -18.680 21.423 9.947 1085 HD22 LEU 64 2HD2 LEU 64 -19.078 21.640 8.243 1086 HD23 LEU 64 3HD2 LEU 64 -18.995 20.018 8.929 1087 H GLU 65 H GLU 65 -20.193 18.754 13.424 1088 HA GLU 65 HA GLU 65 -22.673 18.698 14.799 1089 HB2 GLU 65 2HB GLU 65 -20.107 17.177 14.937 1090 HB3 GLU 65 1HB GLU 65 -21.290 16.990 16.212 1091 HG2 GLU 65 2HG GLU 65 -21.994 16.630 13.328 1092 HG3 GLU 65 1HG GLU 65 -21.351 15.315 14.312 1093 H HIS 66 H HIS 66 -19.996 20.580 15.161 1094 HA HIS 66 HA HIS 66 -20.165 20.891 18.040 1095 HD1 HIS 66 1HD HIS 66 -16.161 21.567 18.168 1096 HD2 HIS 66 2HD HIS 66 -19.520 23.860 19.057 1097 HE1 HIS 66 1HE HIS 66 -15.607 22.788 20.295 1098 HE2 HIS 66 2HE HIS 66 -17.698 24.061 20.891 1099 HB2 HIS 66 2HB HIS 66 -18.024 21.125 16.602 1100 HB3 HIS 66 1HB HIS 66 -18.650 22.712 16.177 1101 H HIS 67 H HIS 67 -20.832 22.847 15.129 1102 HA HIS 67 HA HIS 67 -22.882 24.227 16.702 1103 HD1 HIS 67 1HD HIS 67 -18.876 25.237 15.041 1104 HD2 HIS 67 2HD HIS 67 -22.183 26.685 12.972 1105 HE1 HIS 67 1HE HIS 67 -18.035 25.830 12.746 1106 HE2 HIS 67 2HE HIS 67 -19.996 26.944 11.612 1107 HB2 HIS 67 2HB HIS 67 -22.344 26.386 15.759 1108 HB3 HIS 67 1HB HIS 67 -20.913 25.727 16.534 1109 H HIS 68 H HIS 68 -24.795 24.049 15.819 1110 HA HIS 68 HA HIS 68 -24.973 23.273 12.988 1111 HD1 HIS 68 1HD HIS 68 -25.399 21.666 16.757 1112 HD2 HIS 68 2HD HIS 68 -25.891 19.983 12.983 1113 HE1 HIS 68 1HE HIS 68 -24.502 19.322 16.935 1114 HE2 HIS 68 2HE HIS 68 -24.742 18.333 14.628 1115 HB2 HIS 68 2HB HIS 68 -27.018 22.966 15.197 1116 HB3 HIS 68 1HB HIS 68 -27.197 22.387 13.546 1117 H HIS 69 H HIS 69 -25.354 24.942 11.708 1118 HA HIS 69 HA HIS 69 -26.187 26.862 10.827 1119 HD1 HIS 69 1HD HIS 69 -28.610 26.632 8.850 1120 HD2 HIS 69 2HD HIS 69 -28.776 23.548 11.633 1121 HE1 HIS 69 1HE HIS 69 -29.353 24.596 7.564 1122 HE2 HIS 69 2HE HIS 69 -29.681 22.814 9.327 1123 HB2 HIS 69 2HB HIS 69 -28.571 26.154 12.554 1124 HB3 HIS 69 1HB HIS 69 -28.576 27.406 11.321 1125 H HIS 70 H HIS 70 -28.138 27.484 13.582 1126 HA HIS 70 HA HIS 70 -26.566 28.877 15.321 1127 HD1 HIS 70 1HD HIS 70 -28.842 32.577 14.139 1128 HD2 HIS 70 2HD HIS 70 -27.700 29.939 11.130 1129 HE1 HIS 70 1HE HIS 70 -30.289 33.135 12.154 1130 HE2 HIS 70 2HE HIS 70 -29.464 31.639 10.297 1131 HB2 HIS 70 2HB HIS 70 -26.836 31.235 14.756 1132 HB3 HIS 70 1HB HIS 70 -25.993 30.410 13.454 1133 H HIS 71 H HIS 71 -29.488 28.203 13.769 1134 HA HIS 71 HA HIS 71 -30.936 28.612 16.268 1135 HD1 HIS 71 1HD HIS 71 -34.120 30.479 16.123 1136 HD2 HIS 71 2HD HIS 71 -30.246 31.834 15.458 1137 HE1 HIS 71 1HE HIS 71 -33.930 32.643 17.388 1138 HE2 HIS 71 2HE HIS 71 -31.656 33.545 16.783 1139 HB2 HIS 71 2HB HIS 71 -31.561 29.864 13.661 1140 HB3 HIS 71 1HB HIS 71 -32.919 29.084 14.465 Start of MODEL 15 1 HA MET 1 HA MET 1 33.650 -7.864 -20.447 2 H1 MET 1 1H MET 1 31.778 -9.156 -20.004 3 H2 MET 1 2H MET 1 32.207 -9.544 -21.601 4 H3 MET 1 3H MET 1 30.900 -8.509 -21.301 5 HB2 MET 1 2HB MET 1 33.602 -8.220 -22.892 6 HB3 MET 1 1HB MET 1 32.299 -7.048 -23.027 7 HG2 MET 1 2HG MET 1 33.756 -5.284 -22.249 8 HG3 MET 1 1HG MET 1 35.058 -6.442 -21.988 9 HE1 MET 1 1HE MET 1 36.342 -4.358 -25.043 10 HE2 MET 1 2HE MET 1 36.717 -4.950 -23.424 11 HE3 MET 1 3HE MET 1 35.423 -3.774 -23.655 12 H SER 2 H SER 2 30.839 -6.241 -21.938 13 HA SER 2 HA SER 2 31.127 -4.025 -20.105 14 HG SER 2 HG SER 2 30.638 -2.465 -22.898 15 HB2 SER 2 2HB SER 2 29.228 -4.552 -22.390 16 HB3 SER 2 1HB SER 2 29.240 -3.072 -21.439 17 H GLU 3 H GLU 3 29.547 -6.909 -20.127 18 HA GLU 3 HA GLU 3 27.682 -5.989 -18.059 19 HB2 GLU 3 2HB GLU 3 26.447 -8.115 -18.448 20 HB3 GLU 3 1HB GLU 3 26.444 -7.017 -19.812 21 HG2 GLU 3 2HG GLU 3 28.332 -9.344 -19.589 22 HG3 GLU 3 1HG GLU 3 26.743 -9.460 -20.333 23 H GLY 4 H GLY 4 28.523 -6.239 -16.151 24 HA2 GLY 4 2HA GLY 4 30.444 -8.419 -15.707 25 HA3 GLY 4 1HA GLY 4 30.328 -6.951 -14.752 26 H ALA 5 H ALA 5 29.868 -10.132 -14.612 27 HA ALA 5 HA ALA 5 27.311 -10.365 -13.389 28 HB1 ALA 5 1HB ALA 5 28.016 -12.606 -12.759 29 HB2 ALA 5 2HB ALA 5 29.687 -12.217 -13.167 30 HB3 ALA 5 3HB ALA 5 28.461 -12.275 -14.434 31 H GLU 6 H GLU 6 30.381 -9.310 -12.310 32 HA GLU 6 HA GLU 6 30.094 -9.776 -9.536 33 HB2 GLU 6 2HB GLU 6 31.567 -7.443 -10.750 34 HB3 GLU 6 1HB GLU 6 31.915 -8.276 -9.243 35 HG2 GLU 6 2HG GLU 6 32.289 -9.366 -12.021 36 HG3 GLU 6 1HG GLU 6 33.555 -8.836 -10.916 37 H GLU 7 H GLU 7 29.376 -7.015 -11.590 38 HA GLU 7 HA GLU 7 28.310 -5.334 -9.574 39 HB2 GLU 7 2HB GLU 7 29.161 -4.665 -11.855 40 HB3 GLU 7 1HB GLU 7 27.690 -5.337 -12.532 41 HG2 GLU 7 2HG GLU 7 26.346 -3.712 -11.425 42 HG3 GLU 7 1HG GLU 7 27.728 -3.123 -10.500 43 H LEU 8 H LEU 8 26.953 -7.675 -11.790 44 HA LEU 8 HA LEU 8 24.238 -7.225 -11.152 45 HG LEU 8 HG LEU 8 23.213 -7.914 -13.267 46 HB2 LEU 8 2HB LEU 8 25.826 -9.267 -12.590 47 HB3 LEU 8 1HB LEU 8 24.259 -9.772 -12.010 48 HD11 LEU 8 1HD1 LEU 8 24.515 -6.686 -14.922 49 HD12 LEU 8 2HD1 LEU 8 25.989 -7.466 -14.347 50 HD13 LEU 8 3HD1 LEU 8 25.099 -6.371 -13.288 51 HD21 LEU 8 1HD2 LEU 8 23.352 -10.115 -14.273 52 HD22 LEU 8 2HD2 LEU 8 24.956 -9.744 -14.903 53 HD23 LEU 8 3HD2 LEU 8 23.550 -8.864 -15.501 54 H LYS 9 H LYS 9 26.728 -9.351 -9.855 55 HA LYS 9 HA LYS 9 25.093 -10.839 -8.110 56 HB2 LYS 9 2HB LYS 9 27.416 -11.451 -8.719 57 HB3 LYS 9 1HB LYS 9 28.000 -10.090 -7.779 58 HG2 LYS 9 2HG LYS 9 28.270 -12.053 -6.467 59 HG3 LYS 9 1HG LYS 9 26.953 -11.114 -5.765 60 HD2 LYS 9 2HD LYS 9 25.329 -12.558 -6.923 61 HD3 LYS 9 1HD LYS 9 26.665 -13.514 -7.568 62 HE2 LYS 9 2HE LYS 9 27.369 -13.972 -5.214 63 HE3 LYS 9 1HE LYS 9 25.891 -13.174 -4.676 64 HZ1 LYS 9 1HZ LYS 9 26.054 -15.613 -6.366 65 HZ2 LYS 9 2HZ LYS 9 24.614 -14.830 -5.929 66 HZ3 LYS 9 3HZ LYS 9 25.582 -15.549 -4.738 67 H ALA 10 H ALA 10 27.117 -7.977 -7.522 68 HA ALA 10 HA ALA 10 26.404 -7.591 -4.848 69 HB1 ALA 10 1HB ALA 10 28.281 -6.449 -5.932 70 HB2 ALA 10 2HB ALA 10 27.201 -5.314 -5.122 71 HB3 ALA 10 3HB ALA 10 27.141 -5.486 -6.875 72 H LYS 11 H LYS 11 24.908 -6.419 -7.822 73 HA LYS 11 HA LYS 11 22.932 -4.798 -6.634 74 HB2 LYS 11 2HB LYS 11 23.528 -4.809 -9.055 75 HB3 LYS 11 1HB LYS 11 22.732 -6.364 -9.215 76 HG2 LYS 11 2HG LYS 11 21.167 -4.837 -10.003 77 HG3 LYS 11 1HG LYS 11 20.635 -5.182 -8.359 78 HD2 LYS 11 2HD LYS 11 22.413 -2.840 -8.947 79 HD3 LYS 11 1HD LYS 11 20.669 -2.731 -9.173 80 HE2 LYS 11 2HE LYS 11 20.327 -3.338 -6.829 81 HE3 LYS 11 1HE LYS 11 22.071 -3.466 -6.603 82 HZ1 LYS 11 1HZ LYS 11 20.740 -0.968 -7.493 83 HZ2 LYS 11 2HZ LYS 11 22.331 -1.154 -6.931 84 HZ3 LYS 11 3HZ LYS 11 21.022 -1.326 -5.861 85 H LEU 12 H LEU 12 22.731 -8.168 -7.790 86 HA LEU 12 HA LEU 12 20.081 -8.599 -6.906 87 HG LEU 12 HG LEU 12 20.374 -11.633 -6.179 88 HB2 LEU 12 2HB LEU 12 21.196 -9.999 -8.588 89 HB3 LEU 12 1HB LEU 12 22.294 -10.603 -7.362 90 HD11 LEU 12 1HD1 LEU 12 18.216 -11.792 -7.303 91 HD12 LEU 12 2HD1 LEU 12 18.800 -10.745 -8.597 92 HD13 LEU 12 3HD1 LEU 12 18.629 -10.112 -6.960 93 HD21 LEU 12 1HD2 LEU 12 20.647 -12.425 -9.082 94 HD22 LEU 12 2HD2 LEU 12 20.033 -13.443 -7.778 95 HD23 LEU 12 3HD2 LEU 12 21.717 -12.921 -7.771 96 H LYS 13 H LYS 13 23.200 -9.014 -5.367 97 HA LYS 13 HA LYS 13 22.390 -10.371 -3.045 98 HB2 LYS 13 2HB LYS 13 24.748 -9.960 -3.804 99 HB3 LYS 13 1HB LYS 13 24.571 -8.289 -3.300 100 HG2 LYS 13 2HG LYS 13 24.300 -8.964 -1.003 101 HG3 LYS 13 1HG LYS 13 24.347 -10.668 -1.470 102 HD2 LYS 13 2HD LYS 13 26.625 -10.388 -2.295 103 HD3 LYS 13 1HD LYS 13 26.577 -8.676 -1.874 104 HE2 LYS 13 2HE LYS 13 26.314 -9.254 0.480 105 HE3 LYS 13 1HE LYS 13 26.323 -10.970 0.068 106 HZ1 LYS 13 1HZ LYS 13 28.572 -9.116 -0.496 107 HZ2 LYS 13 2HZ LYS 13 28.570 -10.802 -0.672 108 HZ3 LYS 13 3HZ LYS 13 28.482 -10.109 0.872 109 H LYS 14 H LYS 14 22.706 -6.920 -3.738 110 HA LYS 14 HA LYS 14 21.804 -5.972 -1.238 111 HB2 LYS 14 2HB LYS 14 23.018 -4.712 -3.131 112 HB3 LYS 14 1HB LYS 14 21.431 -4.532 -3.857 113 HG2 LYS 14 2HG LYS 14 20.636 -3.301 -1.949 114 HG3 LYS 14 1HG LYS 14 22.170 -3.557 -1.109 115 HD2 LYS 14 2HD LYS 14 23.307 -2.357 -2.977 116 HD3 LYS 14 1HD LYS 14 21.715 -1.979 -3.641 117 HE2 LYS 14 2HE LYS 14 21.137 -0.802 -1.568 118 HE3 LYS 14 1HE LYS 14 22.732 -1.177 -0.915 119 HZ1 LYS 14 1HZ LYS 14 22.122 0.543 -3.258 120 HZ2 LYS 14 2HZ LYS 14 23.688 0.082 -2.805 121 HZ3 LYS 14 3HZ LYS 14 22.753 1.038 -1.762 122 H LEU 15 H LEU 15 20.135 -6.462 -4.325 123 HA LEU 15 HA LEU 15 17.585 -5.593 -3.548 124 HG LEU 15 HG LEU 15 19.158 -5.271 -6.100 125 HB2 LEU 15 2HB LEU 15 18.455 -7.597 -5.627 126 HB3 LEU 15 1HB LEU 15 16.801 -7.046 -5.453 127 HD11 LEU 15 1HD1 LEU 15 18.163 -5.135 -8.331 128 HD12 LEU 15 2HD1 LEU 15 16.939 -6.315 -7.856 129 HD13 LEU 15 3HD1 LEU 15 18.638 -6.786 -7.934 130 HD21 LEU 15 1HD2 LEU 15 17.374 -4.131 -4.866 131 HD22 LEU 15 2HD2 LEU 15 16.199 -4.691 -6.055 132 HD23 LEU 15 3HD2 LEU 15 17.474 -3.569 -6.533 133 H ASN 16 H ASN 16 19.141 -8.739 -3.223 134 HA ASN 16 HA ASN 16 16.865 -10.244 -2.559 135 HB2 ASN 16 2HB ASN 16 19.154 -11.148 -3.106 136 HB3 ASN 16 1HB ASN 16 19.658 -10.681 -1.488 137 HD21 ASN 16 1HD2 ASN 16 17.785 -12.883 -3.380 138 HD22 ASN 16 2HD2 ASN 16 17.433 -14.005 -2.113 139 H ALA 17 H ALA 17 19.124 -8.406 -0.544 140 HA ALA 17 HA ALA 17 17.880 -9.031 1.930 141 HB1 ALA 17 1HB ALA 17 19.601 -6.652 1.222 142 HB2 ALA 17 2HB ALA 17 20.190 -8.219 1.779 143 HB3 ALA 17 3HB ALA 17 19.217 -7.212 2.850 144 H GLN 18 H GLN 18 17.622 -6.331 -0.321 145 HA GLN 18 HA GLN 18 15.866 -4.725 1.122 146 HB2 GLN 18 2HB GLN 18 16.269 -5.077 -1.842 147 HB3 GLN 18 1HB GLN 18 15.212 -3.848 -1.174 148 HG2 GLN 18 2HG GLN 18 17.073 -2.826 -0.019 149 HG3 GLN 18 1HG GLN 18 18.149 -4.105 -0.582 150 HE21 GLN 18 1HE2 GLN 18 16.356 -1.255 -1.495 151 HE22 GLN 18 2HE2 GLN 18 17.139 -1.017 -3.019 152 H ALA 19 H ALA 19 15.105 -7.178 -1.341 153 HA ALA 19 HA ALA 19 12.309 -6.885 -1.241 154 HB1 ALA 19 1HB ALA 19 13.533 -7.993 -3.064 155 HB2 ALA 19 2HB ALA 19 12.217 -8.984 -2.438 156 HB3 ALA 19 3HB ALA 19 13.883 -9.345 -1.985 157 H THR 20 H THR 20 14.522 -8.805 0.685 158 HA THR 20 HA THR 20 12.490 -10.383 1.938 159 HB THR 20 HB THR 20 15.342 -9.888 2.828 160 HG1 THR 20 1HG THR 20 15.549 -10.932 0.929 161 HG21 THR 20 1HG2 THR 20 13.914 -10.756 4.626 162 HG22 THR 20 2HG2 THR 20 15.075 -11.972 4.092 163 HG23 THR 20 3HG2 THR 20 13.392 -12.074 3.576 164 H ALA 21 H ALA 21 14.404 -7.555 2.913 165 HA ALA 21 HA ALA 21 13.422 -7.331 5.528 166 HB1 ALA 21 1HB ALA 21 15.425 -6.169 4.747 167 HB2 ALA 21 2HB ALA 21 14.275 -5.049 5.476 168 HB3 ALA 21 3HB ALA 21 14.427 -5.134 3.721 169 H LEU 22 H LEU 22 12.323 -5.793 2.510 170 HA LEU 22 HA LEU 22 10.233 -4.311 3.708 171 HG LEU 22 HG LEU 22 10.641 -2.703 0.445 172 HB2 LEU 22 2HB LEU 22 10.930 -5.095 0.923 173 HB3 LEU 22 1HB LEU 22 9.295 -4.545 1.227 174 HD11 LEU 22 1HD1 LEU 22 10.051 -2.458 3.390 175 HD12 LEU 22 2HD1 LEU 22 8.914 -2.193 2.068 176 HD13 LEU 22 3HD1 LEU 22 10.296 -1.117 2.270 177 HD21 LEU 22 1HD2 LEU 22 12.434 -3.221 2.813 178 HD22 LEU 22 2HD2 LEU 22 12.564 -1.873 1.683 179 HD23 LEU 22 3HD2 LEU 22 12.838 -3.523 1.123 180 H LYS 23 H LYS 23 10.353 -7.550 2.318 181 HA LYS 23 HA LYS 23 7.619 -8.135 2.360 182 HB2 LYS 23 2HB LYS 23 9.330 -9.558 1.282 183 HB3 LYS 23 1HB LYS 23 9.934 -10.016 2.868 184 HG2 LYS 23 2HG LYS 23 7.710 -10.987 3.375 185 HG3 LYS 23 1HG LYS 23 7.228 -10.645 1.712 186 HD2 LYS 23 2HD LYS 23 9.121 -12.047 0.933 187 HD3 LYS 23 1HD LYS 23 9.469 -12.449 2.615 188 HE2 LYS 23 2HE LYS 23 7.164 -13.364 2.810 189 HE3 LYS 23 1HE LYS 23 6.954 -13.086 1.080 190 HZ1 LYS 23 1HZ LYS 23 8.949 -14.877 2.355 191 HZ2 LYS 23 2HZ LYS 23 8.869 -14.559 0.690 192 HZ3 LYS 23 3HZ LYS 23 7.588 -15.356 1.465 193 H MET 24 H MET 24 10.105 -8.530 4.849 194 HA MET 24 HA MET 24 8.417 -9.736 6.776 195 HB2 MET 24 2HB MET 24 10.987 -8.180 7.130 196 HB3 MET 24 1HB MET 24 10.201 -9.109 8.397 197 HG2 MET 24 2HG MET 24 10.507 -11.150 7.099 198 HG3 MET 24 1HG MET 24 11.291 -10.222 5.822 199 HE1 MET 24 1HE MET 24 11.607 -9.774 9.716 200 HE2 MET 24 2HE MET 24 13.042 -10.739 10.061 201 HE3 MET 24 3HE MET 24 11.558 -11.527 9.525 202 H ASP 25 H ASP 25 9.477 -6.381 6.293 203 HA ASP 25 HA ASP 25 8.202 -5.345 8.591 204 HB2 ASP 25 2HB ASP 25 10.044 -4.226 7.306 205 HB3 ASP 25 1HB ASP 25 8.867 -3.836 6.058 206 H LEU 26 H LEU 26 7.188 -5.520 5.188 207 HA LEU 26 HA LEU 26 4.746 -4.168 5.467 208 HG LEU 26 HG LEU 26 3.079 -6.132 3.575 209 HB2 LEU 26 2HB LEU 26 5.688 -4.635 3.287 210 HB3 LEU 26 1HB LEU 26 5.548 -6.362 3.553 211 HD11 LEU 26 1HD1 LEU 26 2.076 -4.050 2.761 212 HD12 LEU 26 2HD1 LEU 26 3.662 -3.277 2.808 213 HD13 LEU 26 3HD1 LEU 26 2.904 -3.828 4.302 214 HD21 LEU 26 1HD2 LEU 26 4.235 -6.753 1.530 215 HD22 LEU 26 2HD2 LEU 26 4.457 -5.051 1.120 216 HD23 LEU 26 3HD2 LEU 26 2.834 -5.744 1.172 217 H HIS 27 H HIS 27 5.479 -7.647 5.670 218 HA HIS 27 HA HIS 27 2.834 -8.483 6.148 219 HD1 HIS 27 1HD HIS 27 3.564 -11.996 4.973 220 HD2 HIS 27 2HD HIS 27 2.953 -10.811 8.918 221 HE1 HIS 27 1HE HIS 27 2.041 -13.727 5.976 222 HE2 HIS 27 2HE HIS 27 1.537 -12.890 8.298 223 HB2 HIS 27 2HB HIS 27 4.822 -9.939 5.515 224 HB3 HIS 27 1HB HIS 27 5.305 -9.863 7.202 225 H ASP 28 H ASP 28 5.454 -7.577 8.343 226 HA ASP 28 HA ASP 28 4.111 -8.193 10.744 227 HB2 ASP 28 2HB ASP 28 6.528 -7.877 10.672 228 HB3 ASP 28 1HB ASP 28 6.314 -6.189 10.217 229 H LEU 29 H LEU 29 4.391 -5.164 8.907 230 HA LEU 29 HA LEU 29 2.886 -3.570 10.685 231 HG LEU 29 HG LEU 29 1.427 -1.849 8.527 232 HB2 LEU 29 2HB LEU 29 4.317 -2.618 8.953 233 HB3 LEU 29 1HB LEU 29 3.290 -3.297 7.707 234 HD11 LEU 29 1HD1 LEU 29 1.956 0.023 9.991 235 HD12 LEU 29 2HD1 LEU 29 3.594 -0.596 10.205 236 HD13 LEU 29 3HD1 LEU 29 2.217 -1.517 10.808 237 HD21 LEU 29 1HD2 LEU 29 2.292 0.207 7.546 238 HD22 LEU 29 2HD2 LEU 29 2.788 -1.204 6.611 239 HD23 LEU 29 3HD2 LEU 29 3.939 -0.410 7.686 240 H ALA 30 H ALA 30 1.978 -5.618 7.975 241 HA ALA 30 HA ALA 30 -0.733 -4.844 7.834 242 HB1 ALA 30 1HB ALA 30 0.511 -7.477 7.049 243 HB2 ALA 30 2HB ALA 30 0.402 -6.045 6.025 244 HB3 ALA 30 3HB ALA 30 -1.066 -6.877 6.539 245 H GLU 31 H GLU 31 0.995 -7.032 9.921 246 HA GLU 31 HA GLU 31 -1.253 -8.410 10.973 247 HB2 GLU 31 2HB GLU 31 1.491 -7.893 12.131 248 HB3 GLU 31 1HB GLU 31 0.311 -8.985 12.823 249 HG2 GLU 31 2HG GLU 31 1.511 -9.271 10.085 250 HG3 GLU 31 1HG GLU 31 2.061 -10.123 11.526 251 H ASP 32 H ASP 32 0.400 -5.410 11.726 252 HA ASP 32 HA ASP 32 -1.473 -4.959 13.952 253 HB2 ASP 32 2HB ASP 32 1.050 -5.046 14.426 254 HB3 ASP 32 1HB ASP 32 1.137 -3.495 13.595 255 H LEU 33 H LEU 33 -2.824 -4.444 12.037 256 HA LEU 33 HA LEU 33 -2.369 -2.068 10.568 257 HG LEU 33 HG LEU 33 -2.733 -4.160 8.907 258 HB2 LEU 33 2HB LEU 33 -4.433 -4.148 10.663 259 HB3 LEU 33 1HB LEU 33 -4.986 -2.568 10.135 260 HD11 LEU 33 1HD1 LEU 33 -4.935 -5.040 8.361 261 HD12 LEU 33 2HD1 LEU 33 -4.198 -4.274 6.954 262 HD13 LEU 33 3HD1 LEU 33 -5.462 -3.436 7.854 263 HD21 LEU 33 1HD2 LEU 33 -2.641 -2.373 7.230 264 HD22 LEU 33 2HD2 LEU 33 -2.258 -1.756 8.840 265 HD23 LEU 33 3HD2 LEU 33 -3.847 -1.459 8.136 266 HA PRO 34 HA PRO 34 -4.341 1.656 11.069 267 HB2 PRO 34 2HB PRO 34 -6.105 0.490 13.195 268 HB3 PRO 34 1HB PRO 34 -6.309 2.008 12.295 269 HG2 PRO 34 2HG PRO 34 -7.246 -0.493 11.436 270 HG3 PRO 34 1HG PRO 34 -7.017 0.926 10.399 271 HD2 PRO 34 2HD PRO 34 -5.614 -1.489 10.139 272 HD3 PRO 34 1HD PRO 34 -5.055 0.078 9.495 273 H THR 35 H THR 35 -2.378 -0.165 12.947 274 HA THR 35 HA THR 35 -1.518 2.392 14.126 275 HB THR 35 HB THR 35 0.241 0.152 14.669 276 HG1 THR 35 1HG THR 35 -1.182 -1.281 15.247 277 HG21 THR 35 1HG2 THR 35 -1.323 2.008 16.462 278 HG22 THR 35 2HG2 THR 35 0.319 2.266 15.873 279 HG23 THR 35 3HG2 THR 35 -0.022 0.938 16.983 280 H GLY 36 H GLY 36 0.280 3.354 13.288 281 HA2 GLY 36 2HA GLY 36 1.896 3.828 11.716 282 HA3 GLY 36 1HA GLY 36 2.136 2.094 11.565 283 H TRP 37 H TRP 37 -1.080 2.775 10.953 284 HA TRP 37 HA TRP 37 -1.080 2.074 8.282 285 HD1 TRP 37 HD TRP 37 -4.629 4.709 7.756 286 HE1 TRP 37 1HE TRP 37 -5.189 6.876 9.018 287 HE3 TRP 37 3HE TRP 37 -1.886 3.924 12.002 288 HZ2 TRP 37 2HZ TRP 37 -4.560 8.096 11.471 289 HZ3 TRP 37 3HZ TRP 37 -1.919 5.652 13.756 290 HH2 TRP 37 HH TRP 37 -3.230 7.694 13.493 291 HB2 TRP 37 2HB TRP 37 -3.366 2.560 8.273 292 HB3 TRP 37 1HB TRP 37 -3.039 2.248 9.974 293 H ASN 38 H ASN 38 -0.351 5.126 9.715 294 HA ASN 38 HA ASN 38 -0.847 6.770 7.464 295 HB2 ASN 38 2HB ASN 38 0.519 8.396 8.744 296 HB3 ASN 38 1HB ASN 38 -0.774 7.692 9.697 297 HD21 ASN 38 1HD2 ASN 38 2.612 8.090 9.324 298 HD22 ASN 38 2HD2 ASN 38 3.088 7.237 10.759 299 H ARG 39 H ARG 39 1.599 4.526 8.232 300 HA ARG 39 HA ARG 39 3.516 5.739 6.374 301 HE ARG 39 HE ARG 39 8.189 3.201 6.888 302 HB2 ARG 39 2HB ARG 39 4.359 5.006 8.570 303 HB3 ARG 39 1HB ARG 39 3.813 3.370 8.239 304 HG2 ARG 39 2HG ARG 39 5.372 3.297 6.309 305 HG3 ARG 39 1HG ARG 39 5.978 4.881 6.797 306 HD2 ARG 39 2HD ARG 39 6.878 4.046 8.792 307 HD3 ARG 39 1HD ARG 39 5.936 2.559 8.695 308 HH11 ARG 39 1HH1 ARG 39 6.293 0.931 8.781 309 HH12 ARG 39 2HH1 ARG 39 7.222 -0.456 8.275 310 HH21 ARG 39 1HH2 ARG 39 9.432 1.354 6.264 311 HH22 ARG 39 2HH2 ARG 39 8.977 -0.214 6.868 312 H ILE 40 H ILE 40 0.904 3.833 6.158 313 HA ILE 40 HA ILE 40 1.594 1.508 4.838 314 HB ILE 40 HB ILE 40 -0.815 3.274 4.690 315 HG12 ILE 40 2HG1 ILE 40 -0.363 0.416 5.572 316 HG13 ILE 40 1HG1 ILE 40 -0.500 1.820 6.630 317 HG21 ILE 40 1HG2 ILE 40 -1.962 1.736 3.216 318 HG22 ILE 40 2HG2 ILE 40 -0.500 0.763 3.052 319 HG23 ILE 40 3HG2 ILE 40 -0.544 2.405 2.409 320 HD11 ILE 40 1HD1 ILE 40 -2.810 2.128 5.909 321 HD12 ILE 40 2HD1 ILE 40 -2.554 0.523 6.590 322 HD13 ILE 40 3HD1 ILE 40 -2.670 0.731 4.842 323 H MET 41 H MET 41 1.191 4.753 3.444 324 HA MET 41 HA MET 41 1.449 3.979 0.750 325 HB2 MET 41 2HB MET 41 2.119 6.637 2.022 326 HB3 MET 41 1HB MET 41 1.948 6.352 0.295 327 HG2 MET 41 2HG MET 41 -0.201 6.085 2.379 328 HG3 MET 41 1HG MET 41 -0.049 7.368 1.181 329 HE1 MET 41 1HE MET 41 -0.510 7.113 -1.335 330 HE2 MET 41 2HE MET 41 -0.947 5.611 -2.148 331 HE3 MET 41 3HE MET 41 0.693 5.836 -1.531 332 H GLU 42 H GLU 42 3.847 5.080 3.110 333 HA GLU 42 HA GLU 42 6.095 5.146 1.440 334 HB2 GLU 42 2HB GLU 42 6.003 6.012 3.784 335 HB3 GLU 42 1HB GLU 42 6.000 4.358 4.365 336 HG2 GLU 42 2HG GLU 42 8.193 4.073 3.119 337 HG3 GLU 42 1HG GLU 42 8.203 5.828 2.961 338 H VAL 43 H VAL 43 4.891 2.570 3.543 339 HA VAL 43 HA VAL 43 6.802 0.635 2.871 340 HB VAL 43 HB VAL 43 3.943 0.085 3.678 341 HG11 VAL 43 1HG1 VAL 43 5.140 -1.865 2.868 342 HG12 VAL 43 2HG1 VAL 43 4.850 -1.977 4.605 343 HG13 VAL 43 3HG1 VAL 43 6.451 -1.547 4.003 344 HG21 VAL 43 1HG2 VAL 43 4.771 0.058 5.988 345 HG22 VAL 43 2HG2 VAL 43 4.956 1.645 5.244 346 HG23 VAL 43 3HG2 VAL 43 6.356 0.587 5.420 347 H ALA 44 H ALA 44 3.575 1.243 1.501 348 HA ALA 44 HA ALA 44 3.548 -0.828 -0.368 349 HB1 ALA 44 1HB ALA 44 1.591 0.535 0.167 350 HB2 ALA 44 2HB ALA 44 1.891 0.490 -1.571 351 HB3 ALA 44 3HB ALA 44 2.336 1.917 -0.634 352 H GLU 45 H GLU 45 4.745 2.494 -0.661 353 HA GLU 45 HA GLU 45 5.586 2.399 -3.311 354 HB2 GLU 45 2HB GLU 45 6.414 3.992 -0.913 355 HB3 GLU 45 1HB GLU 45 7.259 4.181 -2.433 356 HG2 GLU 45 2HG GLU 45 5.148 4.779 -3.526 357 HG3 GLU 45 1HG GLU 45 4.319 4.617 -1.977 358 H LYS 46 H LYS 46 7.601 2.010 -0.391 359 HA LYS 46 HA LYS 46 9.965 1.365 -1.716 360 HB2 LYS 46 2HB LYS 46 9.020 0.630 1.046 361 HB3 LYS 46 1HB LYS 46 10.650 0.320 0.466 362 HG2 LYS 46 2HG LYS 46 11.004 2.702 0.130 363 HG3 LYS 46 1HG LYS 46 9.353 3.030 0.667 364 HD2 LYS 46 2HD LYS 46 9.869 2.047 2.837 365 HD3 LYS 46 1HD LYS 46 11.523 1.737 2.313 366 HE2 LYS 46 2HE LYS 46 11.890 4.134 2.033 367 HE3 LYS 46 1HE LYS 46 10.228 4.455 2.524 368 HZ1 LYS 46 1HZ LYS 46 10.704 3.568 4.699 369 HZ2 LYS 46 2HZ LYS 46 11.823 4.789 4.331 370 HZ3 LYS 46 3HZ LYS 46 12.286 3.163 4.233 371 H THR 47 H THR 47 7.448 -0.794 -0.455 372 HA THR 47 HA THR 47 8.809 -3.200 -0.996 373 HB THR 47 HB THR 47 5.811 -2.776 -0.880 374 HG1 THR 47 1HG THR 47 6.628 -2.090 1.058 375 HG21 THR 47 1HG2 THR 47 5.750 -5.140 -0.201 376 HG22 THR 47 2HG2 THR 47 7.495 -5.251 -0.428 377 HG23 THR 47 3HG2 THR 47 6.444 -4.952 -1.812 378 H TYR 48 H TYR 48 6.388 -1.398 -2.892 379 HA TYR 48 HA TYR 48 6.301 -3.188 -5.062 380 HD1 TYR 48 2HD TYR 48 4.152 -2.878 -6.970 381 HD2 TYR 48 1HD TYR 48 6.477 0.677 -6.938 382 HE1 TYR 48 2HE TYR 48 3.925 -2.714 -9.415 383 HE2 TYR 48 1HE TYR 48 6.266 0.851 -9.377 384 HH TYR 48 HH TYR 48 4.026 -0.907 -11.170 385 HB2 TYR 48 2HB TYR 48 4.547 -1.557 -4.872 386 HB3 TYR 48 1HB TYR 48 5.700 -0.225 -4.899 387 H GLU 49 H GLU 49 8.218 -0.259 -4.478 388 HA GLU 49 HA GLU 49 9.546 -0.149 -6.921 389 HB2 GLU 49 2HB GLU 49 10.315 0.781 -4.162 390 HB3 GLU 49 1HB GLU 49 11.287 1.121 -5.579 391 HG2 GLU 49 2HG GLU 49 9.327 2.243 -6.599 392 HG3 GLU 49 1HG GLU 49 8.455 1.989 -5.087 393 H ALA 50 H ALA 50 10.379 -1.855 -3.930 394 HA ALA 50 HA ALA 50 12.918 -2.755 -4.725 395 HB1 ALA 50 1HB ALA 50 12.123 -2.829 -2.403 396 HB2 ALA 50 2HB ALA 50 12.729 -4.395 -2.945 397 HB3 ALA 50 3HB ALA 50 10.992 -4.108 -2.840 398 H TYR 51 H TYR 51 9.789 -4.492 -4.801 399 HA TYR 51 HA TYR 51 10.859 -6.753 -6.103 400 HD1 TYR 51 1HD TYR 51 10.270 -8.690 -5.199 401 HD2 TYR 51 2HD TYR 51 7.302 -6.099 -3.602 402 HE1 TYR 51 1HE TYR 51 10.348 -9.925 -3.077 403 HE2 TYR 51 2HE TYR 51 7.369 -7.328 -1.472 404 HH TYR 51 HH TYR 51 9.807 -9.364 -0.605 405 HB2 TYR 51 2HB TYR 51 8.048 -5.739 -5.763 406 HB3 TYR 51 1HB TYR 51 8.412 -7.228 -6.628 407 H ARG 52 H ARG 52 9.570 -3.725 -7.298 408 HA ARG 52 HA ARG 52 9.401 -4.498 -10.025 409 HE ARG 52 HE ARG 52 10.116 -2.556 -13.610 410 HB2 ARG 52 2HB ARG 52 8.287 -2.483 -9.289 411 HB3 ARG 52 1HB ARG 52 9.812 -1.786 -8.754 412 HG2 ARG 52 2HG ARG 52 9.139 -0.793 -10.844 413 HG3 ARG 52 1HG ARG 52 10.599 -1.757 -11.081 414 HD2 ARG 52 2HD ARG 52 9.062 -3.641 -11.798 415 HD3 ARG 52 1HD ARG 52 7.776 -2.441 -11.840 416 HH11 ARG 52 1HH1 ARG 52 7.022 -1.107 -12.795 417 HH12 ARG 52 2HH1 ARG 52 6.897 -0.249 -14.298 418 HH21 ARG 52 1HH2 ARG 52 9.944 -1.456 -15.557 419 HH22 ARG 52 2HH2 ARG 52 8.553 -0.466 -15.881 420 H GLN 53 H GLN 53 11.928 -2.865 -8.142 421 HA GLN 53 HA GLN 53 13.793 -2.599 -10.224 422 HB2 GLN 53 2HB GLN 53 13.791 -1.523 -7.895 423 HB3 GLN 53 1HB GLN 53 14.537 -3.011 -7.333 424 HG2 GLN 53 2HG GLN 53 16.430 -2.666 -8.781 425 HG3 GLN 53 1HG GLN 53 15.665 -1.245 -9.493 426 HE21 GLN 53 1HE2 GLN 53 15.469 0.647 -8.237 427 HE22 GLN 53 2HE2 GLN 53 16.491 0.913 -6.863 428 H LEU 54 H LEU 54 13.210 -5.248 -7.941 429 HA LEU 54 HA LEU 54 15.289 -6.954 -8.706 430 HG LEU 54 HG LEU 54 15.343 -8.386 -6.834 431 HB2 LEU 54 2HB LEU 54 12.616 -7.291 -7.493 432 HB3 LEU 54 1HB LEU 54 13.269 -8.710 -8.283 433 HD11 LEU 54 1HD1 LEU 54 14.948 -6.097 -6.153 434 HD12 LEU 54 2HD1 LEU 54 14.993 -7.159 -4.745 435 HD13 LEU 54 3HD1 LEU 54 13.448 -6.569 -5.360 436 HD21 LEU 54 1HD2 LEU 54 13.721 -10.149 -6.448 437 HD22 LEU 54 2HD2 LEU 54 12.703 -9.037 -5.533 438 HD23 LEU 54 3HD2 LEU 54 14.292 -9.488 -4.914 439 H ASP 55 H ASP 55 12.086 -6.462 -10.119 440 HA ASP 55 HA ASP 55 12.372 -8.515 -12.084 441 HB2 ASP 55 2HB ASP 55 10.184 -7.637 -11.202 442 HB3 ASP 55 1HB ASP 55 10.465 -6.173 -12.138 443 H GLU 56 H GLU 56 12.797 -5.014 -12.057 444 HA GLU 56 HA GLU 56 13.468 -4.578 -14.730 445 HB2 GLU 56 2HB GLU 56 14.474 -3.280 -12.194 446 HB3 GLU 56 1HB GLU 56 14.881 -2.688 -13.795 447 HG2 GLU 56 2HG GLU 56 12.065 -2.959 -12.774 448 HG3 GLU 56 1HG GLU 56 13.018 -1.480 -12.663 449 H PHE 57 H PHE 57 15.455 -5.650 -12.015 450 HA PHE 57 HA PHE 57 17.904 -5.846 -13.363 451 HD1 PHE 57 2HD PHE 57 20.153 -6.070 -11.779 452 HD2 PHE 57 1HD PHE 57 17.818 -9.570 -11.156 453 HE1 PHE 57 2HE PHE 57 22.206 -7.425 -11.709 454 HE2 PHE 57 1HE PHE 57 19.864 -10.930 -11.082 455 HZ PHE 57 HZ PHE 57 22.061 -9.857 -11.361 456 HB2 PHE 57 2HB PHE 57 17.775 -6.004 -10.940 457 HB3 PHE 57 1HB PHE 57 16.803 -7.467 -11.054 458 H ARG 58 H ARG 58 15.253 -8.160 -12.970 459 HA ARG 58 HA ARG 58 16.433 -10.344 -14.249 460 HE ARG 58 HE ARG 58 16.685 -11.745 -13.684 461 HB2 ARG 58 2HB ARG 58 13.560 -9.511 -13.905 462 HB3 ARG 58 1HB ARG 58 14.025 -11.028 -14.640 463 HG2 ARG 58 2HG ARG 58 15.043 -10.311 -11.932 464 HG3 ARG 58 1HG ARG 58 13.412 -10.951 -12.130 465 HD2 ARG 58 2HD ARG 58 14.872 -12.775 -11.627 466 HD3 ARG 58 1HD ARG 58 14.399 -12.905 -13.316 467 HH11 ARG 58 1HH1 ARG 58 15.929 -14.137 -11.250 468 HH12 ARG 58 2HH1 ARG 58 17.558 -14.746 -11.148 469 HH21 ARG 58 1HH2 ARG 58 18.825 -12.594 -13.610 470 HH22 ARG 58 2HH2 ARG 58 19.205 -13.871 -12.495 471 H LYS 59 H LYS 59 14.415 -7.715 -15.556 472 HA LYS 59 HA LYS 59 14.252 -8.595 -18.211 473 HB2 LYS 59 2HB LYS 59 14.588 -5.698 -17.413 474 HB3 LYS 59 1HB LYS 59 13.767 -6.327 -18.828 475 HG2 LYS 59 2HG LYS 59 12.830 -6.658 -15.987 476 HG3 LYS 59 1HG LYS 59 12.235 -5.455 -17.128 477 HD2 LYS 59 2HD LYS 59 11.612 -7.409 -18.630 478 HD3 LYS 59 1HD LYS 59 11.913 -8.444 -17.227 479 HE2 LYS 59 2HE LYS 59 10.309 -7.006 -15.943 480 HE3 LYS 59 1HE LYS 59 9.910 -6.203 -17.458 481 HZ1 LYS 59 1HZ LYS 59 9.292 -8.457 -18.320 482 HZ2 LYS 59 2HZ LYS 59 8.288 -7.855 -17.097 483 HZ3 LYS 59 3HZ LYS 59 9.438 -9.039 -16.732 484 H SER 60 H SER 60 16.656 -6.595 -16.590 485 HA SER 60 HA SER 60 18.231 -6.048 -18.855 486 HG SER 60 HG SER 60 17.350 -4.765 -16.067 487 HB2 SER 60 2HB SER 60 19.124 -6.085 -15.969 488 HB3 SER 60 1HB SER 60 19.866 -5.189 -17.294 489 H THR 61 H THR 61 18.748 -8.384 -16.223 490 HA THR 61 HA THR 61 21.191 -9.341 -17.229 491 HB THR 61 HB THR 61 20.634 -9.691 -14.905 492 HG1 THR 61 1HG THR 61 21.969 -11.301 -16.071 493 HG21 THR 61 1HG2 THR 61 18.954 -11.334 -14.204 494 HG22 THR 61 2HG2 THR 61 18.474 -11.552 -15.887 495 HG23 THR 61 3HG2 THR 61 18.225 -9.997 -15.093 496 H ALA 62 H ALA 62 17.874 -10.481 -17.772 497 HA ALA 62 HA ALA 62 18.585 -12.906 -19.028 498 HB1 ALA 62 1HB ALA 62 16.343 -12.481 -18.156 499 HB2 ALA 62 2HB ALA 62 16.282 -12.940 -19.859 500 HB3 ALA 62 3HB ALA 62 16.087 -11.250 -19.391 501 H SER 63 H SER 63 17.977 -9.669 -20.300 502 HA SER 63 HA SER 63 18.119 -10.430 -23.030 503 HG SER 63 HG SER 63 16.459 -8.230 -21.265 504 HB2 SER 63 2HB SER 63 18.484 -7.704 -21.777 505 HB3 SER 63 1HB SER 63 18.161 -8.027 -23.482 506 H LEU 64 H LEU 64 20.516 -9.487 -20.671 507 HA LEU 64 HA LEU 64 22.558 -9.103 -22.702 508 HG LEU 64 HG LEU 64 23.512 -6.542 -20.250 509 HB2 LEU 64 2HB LEU 64 22.404 -8.677 -19.758 510 HB3 LEU 64 1HB LEU 64 23.984 -8.910 -20.477 511 HD11 LEU 64 1HD1 LEU 64 23.416 -7.465 -23.116 512 HD12 LEU 64 2HD1 LEU 64 24.861 -7.208 -22.138 513 HD13 LEU 64 3HD1 LEU 64 23.842 -5.839 -22.579 514 HD21 LEU 64 1HD2 LEU 64 21.085 -6.603 -20.288 515 HD22 LEU 64 2HD2 LEU 64 21.106 -7.066 -21.989 516 HD23 LEU 64 3HD2 LEU 64 21.696 -5.477 -21.502 517 H GLU 65 H GLU 65 21.647 -11.470 -20.286 518 HA GLU 65 HA GLU 65 24.063 -13.014 -20.609 519 HB2 GLU 65 2HB GLU 65 22.650 -12.833 -18.497 520 HB3 GLU 65 1HB GLU 65 21.505 -13.897 -19.290 521 HG2 GLU 65 2HG GLU 65 23.205 -15.631 -19.451 522 HG3 GLU 65 1HG GLU 65 24.371 -14.560 -18.671 523 H HIS 66 H HIS 66 21.225 -12.634 -22.258 524 HA HIS 66 HA HIS 66 20.382 -13.544 -24.158 525 HD1 HIS 66 1HD HIS 66 20.888 -13.439 -26.770 526 HD2 HIS 66 2HD HIS 66 22.189 -17.309 -25.963 527 HE1 HIS 66 1HE HIS 66 20.297 -14.797 -28.809 528 HE2 HIS 66 2HE HIS 66 21.242 -17.096 -28.362 529 HB2 HIS 66 2HB HIS 66 22.797 -13.800 -24.776 530 HB3 HIS 66 1HB HIS 66 22.753 -15.422 -24.102 531 H HIS 67 H HIS 67 19.738 -14.492 -21.484 532 HA HIS 67 HA HIS 67 18.767 -17.187 -22.155 533 HD1 HIS 67 1HD HIS 67 21.268 -16.980 -18.392 534 HD2 HIS 67 2HD HIS 67 19.646 -19.302 -21.451 535 HE1 HIS 67 1HE HIS 67 22.768 -18.992 -18.593 536 HE2 HIS 67 2HE HIS 67 21.649 -20.470 -20.300 537 HB2 HIS 67 2HB HIS 67 19.352 -15.853 -19.536 538 HB3 HIS 67 1HB HIS 67 18.130 -17.116 -19.602 539 H HIS 68 H HIS 68 16.912 -16.906 -23.228 540 HA HIS 68 HA HIS 68 15.096 -14.775 -22.560 541 HD1 HIS 68 1HD HIS 68 12.266 -17.363 -24.786 542 HD2 HIS 68 2HD HIS 68 13.405 -13.372 -24.464 543 HE1 HIS 68 1HE HIS 68 10.182 -16.021 -25.224 544 HE2 HIS 68 2HE HIS 68 10.853 -13.621 -24.847 545 HB2 HIS 68 2HB HIS 68 15.384 -15.566 -24.890 546 HB3 HIS 68 1HB HIS 68 14.705 -17.124 -24.432 547 H HIS 69 H HIS 69 14.576 -15.175 -20.426 548 HA HIS 69 HA HIS 69 12.714 -17.408 -19.984 549 HD1 HIS 69 1HD HIS 69 13.369 -19.863 -18.344 550 HD2 HIS 69 2HD HIS 69 13.267 -16.638 -15.720 551 HE1 HIS 69 1HE HIS 69 12.246 -20.716 -16.259 552 HE2 HIS 69 2HE HIS 69 12.437 -18.823 -14.607 553 HB2 HIS 69 2HB HIS 69 14.945 -17.875 -18.960 554 HB3 HIS 69 1HB HIS 69 14.785 -16.400 -18.017 555 H HIS 70 H HIS 70 10.765 -16.629 -19.402 556 HA HIS 70 HA HIS 70 10.461 -13.847 -18.793 557 HD1 HIS 70 1HD HIS 70 7.265 -15.048 -16.560 558 HD2 HIS 70 2HD HIS 70 8.015 -17.951 -19.453 559 HE1 HIS 70 1HE HIS 70 6.061 -17.105 -15.786 560 HE2 HIS 70 2HE HIS 70 6.340 -18.767 -17.652 561 HB2 HIS 70 2HB HIS 70 8.151 -14.150 -18.938 562 HB3 HIS 70 1HB HIS 70 8.769 -15.372 -20.039 563 H HIS 71 H HIS 71 9.615 -12.939 -16.888 564 HA HIS 71 HA HIS 71 9.771 -14.685 -14.522 565 HD1 HIS 71 1HD HIS 71 10.051 -10.556 -12.514 566 HD2 HIS 71 2HD HIS 71 10.745 -14.634 -12.022 567 HE1 HIS 71 1HE HIS 71 10.008 -10.964 -10.025 568 HE2 HIS 71 2HE HIS 71 10.320 -13.459 -9.757 569 HB2 HIS 71 2HB HIS 71 11.545 -12.957 -14.534 570 HB3 HIS 71 1HB HIS 71 10.315 -11.706 -14.674 571 HA MET 1 HA MET 1 -27.206 24.606 4.978 572 H1 MET 1 1H MET 1 -29.629 26.205 4.402 573 H2 MET 1 2H MET 1 -28.845 25.121 3.362 574 H3 MET 1 3H MET 1 -28.078 26.566 3.813 575 HB2 MET 1 2HB MET 1 -28.542 26.818 6.518 576 HB3 MET 1 1HB MET 1 -27.651 25.553 7.352 577 HG2 MET 1 2HG MET 1 -25.665 26.132 5.969 578 HG3 MET 1 1HG MET 1 -26.581 27.493 5.320 579 HE1 MET 1 1HE MET 1 -23.680 27.560 6.944 580 HE2 MET 1 2HE MET 1 -23.924 29.084 7.794 581 HE3 MET 1 3HE MET 1 -24.420 28.924 6.109 582 H SER 2 H SER 2 -28.196 22.654 4.744 583 HA SER 2 HA SER 2 -30.357 22.121 6.674 584 HG SER 2 HG SER 2 -30.451 22.651 3.528 585 HB2 SER 2 2HB SER 2 -29.880 20.546 4.146 586 HB3 SER 2 1HB SER 2 -31.293 20.504 5.195 587 H GLU 3 H GLU 3 -29.905 20.636 8.175 588 HA GLU 3 HA GLU 3 -27.619 18.865 7.733 589 HB2 GLU 3 2HB GLU 3 -27.018 19.200 10.170 590 HB3 GLU 3 1HB GLU 3 -26.681 20.549 9.098 591 HG2 GLU 3 2HG GLU 3 -28.756 21.636 9.866 592 HG3 GLU 3 1HG GLU 3 -29.001 20.304 10.995 593 H GLY 4 H GLY 4 -28.212 16.860 7.884 594 HA2 GLY 4 2HA GLY 4 -30.099 16.072 9.988 595 HA3 GLY 4 1HA GLY 4 -30.400 15.562 8.330 596 H ALA 5 H ALA 5 -29.866 13.935 10.701 597 HA ALA 5 HA ALA 5 -27.194 12.966 10.629 598 HB1 ALA 5 1HB ALA 5 -28.631 12.740 12.599 599 HB2 ALA 5 2HB ALA 5 -28.017 11.177 12.064 600 HB3 ALA 5 3HB ALA 5 -29.682 11.639 11.707 601 H GLU 6 H GLU 6 -29.883 12.483 8.619 602 HA GLU 6 HA GLU 6 -29.595 9.807 7.883 603 HB2 GLU 6 2HB GLU 6 -30.555 12.024 6.082 604 HB3 GLU 6 1HB GLU 6 -30.966 10.318 5.982 605 HG2 GLU 6 2HG GLU 6 -31.793 12.279 8.103 606 HG3 GLU 6 1HG GLU 6 -32.818 11.483 6.910 607 H GLU 7 H GLU 7 -28.362 12.711 6.194 608 HA GLU 7 HA GLU 7 -26.866 11.222 4.306 609 HB2 GLU 7 2HB GLU 7 -27.179 14.052 5.041 610 HB3 GLU 7 1HB GLU 7 -25.605 13.641 4.391 611 HG2 GLU 7 2HG GLU 7 -26.799 14.270 2.518 612 HG3 GLU 7 1HG GLU 7 -26.920 12.514 2.489 613 H LEU 8 H LEU 8 -26.170 12.505 7.478 614 HA LEU 8 HA LEU 8 -23.367 12.217 7.421 615 HG LEU 8 HG LEU 8 -22.787 13.928 9.105 616 HB2 LEU 8 2HB LEU 8 -25.481 12.615 9.457 617 HB3 LEU 8 1HB LEU 8 -23.967 11.971 10.033 618 HD11 LEU 8 1HD1 LEU 8 -24.305 14.466 7.283 619 HD12 LEU 8 2HD1 LEU 8 -24.073 15.860 8.339 620 HD13 LEU 8 3HD1 LEU 8 -25.557 14.912 8.442 621 HD21 LEU 8 1HD2 LEU 8 -25.080 14.569 10.953 622 HD22 LEU 8 2HD2 LEU 8 -23.640 15.561 10.726 623 HD23 LEU 8 3HD2 LEU 8 -23.499 13.947 11.423 624 H LYS 9 H LYS 9 -25.988 10.138 8.532 625 HA LYS 9 HA LYS 9 -24.417 7.995 9.464 626 HB2 LYS 9 2HB LYS 9 -26.892 8.447 9.890 627 HB3 LYS 9 1HB LYS 9 -27.193 7.800 8.285 628 HG2 LYS 9 2HG LYS 9 -27.587 5.983 9.638 629 HG3 LYS 9 1HG LYS 9 -25.911 5.724 9.146 630 HD2 LYS 9 2HD LYS 9 -25.099 6.577 11.229 631 HD3 LYS 9 1HD LYS 9 -26.718 7.092 11.711 632 HE2 LYS 9 2HE LYS 9 -27.402 4.674 11.591 633 HE3 LYS 9 1HE LYS 9 -25.697 4.275 11.377 634 HZ1 LYS 9 1HZ LYS 9 -26.318 4.059 13.679 635 HZ2 LYS 9 2HZ LYS 9 -26.904 5.647 13.722 636 HZ3 LYS 9 3HZ LYS 9 -25.245 5.361 13.517 637 H ALA 10 H ALA 10 -26.129 8.465 6.378 638 HA ALA 10 HA ALA 10 -25.395 6.057 5.176 639 HB1 ALA 10 1HB ALA 10 -27.146 7.512 4.291 640 HB2 ALA 10 2HB ALA 10 -25.949 7.138 3.049 641 HB3 ALA 10 3HB ALA 10 -25.933 8.712 3.844 642 H LYS 11 H LYS 11 -23.727 9.168 5.253 643 HA LYS 11 HA LYS 11 -21.684 8.481 3.414 644 HB2 LYS 11 2HB LYS 11 -22.320 10.813 4.120 645 HB3 LYS 11 1HB LYS 11 -21.541 10.497 5.661 646 HG2 LYS 11 2HG LYS 11 -19.991 11.711 4.383 647 HG3 LYS 11 1HG LYS 11 -19.427 10.039 4.360 648 HD2 LYS 11 2HD LYS 11 -20.333 9.718 2.146 649 HD3 LYS 11 1HD LYS 11 -21.069 11.323 2.176 650 HE2 LYS 11 2HE LYS 11 -18.792 12.294 2.395 651 HE3 LYS 11 1HE LYS 11 -18.125 10.675 2.200 652 HZ1 LYS 11 1HZ LYS 11 -18.154 12.023 0.147 653 HZ2 LYS 11 2HZ LYS 11 -19.848 12.008 0.183 654 HZ3 LYS 11 3HZ LYS 11 -18.991 10.557 -0.001 655 H LEU 12 H LEU 12 -21.729 8.609 6.977 656 HA LEU 12 HA LEU 12 -19.102 7.643 7.337 657 HG LEU 12 HG LEU 12 -19.557 6.065 9.993 658 HB2 LEU 12 2HB LEU 12 -20.429 8.808 9.074 659 HB3 LEU 12 1HB LEU 12 -21.468 7.405 9.201 660 HD11 LEU 12 1HD1 LEU 12 -17.747 7.243 8.899 661 HD12 LEU 12 2HD1 LEU 12 -17.480 7.222 10.643 662 HD13 LEU 12 3HD1 LEU 12 -18.073 8.687 9.860 663 HD21 LEU 12 1HD2 LEU 12 -19.364 7.119 12.196 664 HD22 LEU 12 2HD2 LEU 12 -21.024 7.150 11.603 665 HD23 LEU 12 3HD2 LEU 12 -20.038 8.610 11.535 666 H LYS 13 H LYS 13 -22.215 6.049 7.087 667 HA LYS 13 HA LYS 13 -21.448 3.434 7.777 668 HB2 LYS 13 2HB LYS 13 -23.780 4.325 7.527 669 HB3 LYS 13 1HB LYS 13 -23.559 4.289 5.791 670 HG2 LYS 13 2HG LYS 13 -23.305 1.871 5.856 671 HG3 LYS 13 1HG LYS 13 -23.500 1.893 7.612 672 HD2 LYS 13 2HD LYS 13 -25.733 2.864 7.348 673 HD3 LYS 13 1HD LYS 13 -25.537 2.840 5.595 674 HE2 LYS 13 2HE LYS 13 -25.359 0.406 5.649 675 HE3 LYS 13 1HE LYS 13 -25.540 0.432 7.405 676 HZ1 LYS 13 1HZ LYS 13 -27.744 1.342 7.160 677 HZ2 LYS 13 2HZ LYS 13 -27.628 -0.077 6.242 678 HZ3 LYS 13 3HZ LYS 13 -27.566 1.437 5.477 679 H LYS 14 H LYS 14 -21.643 5.065 4.639 680 HA LYS 14 HA LYS 14 -20.827 2.901 3.038 681 HB2 LYS 14 2HB LYS 14 -21.763 5.339 2.481 682 HB3 LYS 14 1HB LYS 14 -20.051 5.677 2.270 683 HG2 LYS 14 2HG LYS 14 -20.886 5.129 0.137 684 HG3 LYS 14 1HG LYS 14 -19.986 3.711 0.685 685 HD2 LYS 14 2HD LYS 14 -22.061 2.636 1.369 686 HD3 LYS 14 1HD LYS 14 -22.976 4.065 0.885 687 HE2 LYS 14 2HE LYS 14 -22.107 3.731 -1.432 688 HE3 LYS 14 1HE LYS 14 -21.415 2.200 -0.893 689 HZ1 LYS 14 1HZ LYS 14 -23.531 1.813 -1.918 690 HZ2 LYS 14 2HZ LYS 14 -24.293 2.942 -0.907 691 HZ3 LYS 14 3HZ LYS 14 -23.678 1.500 -0.258 692 H LEU 15 H LEU 15 -19.012 5.506 4.576 693 HA LEU 15 HA LEU 15 -16.482 4.806 3.519 694 HG LEU 15 HG LEU 15 -17.984 7.517 3.912 695 HB2 LEU 15 2HB LEU 15 -17.248 6.404 5.956 696 HB3 LEU 15 1HB LEU 15 -15.616 6.291 5.331 697 HD11 LEU 15 1HD1 LEU 15 -15.485 8.767 5.051 698 HD12 LEU 15 2HD1 LEU 15 -17.096 8.864 5.761 699 HD13 LEU 15 3HD1 LEU 15 -16.778 9.609 4.195 700 HD21 LEU 15 1HD2 LEU 15 -16.469 6.407 2.348 701 HD22 LEU 15 2HD2 LEU 15 -15.105 7.279 3.045 702 HD23 LEU 15 3HD2 LEU 15 -16.373 8.162 2.194 703 H ASN 16 H ASN 16 -18.111 4.053 6.569 704 HA ASN 16 HA ASN 16 -15.986 2.801 7.894 705 HB2 ASN 16 2HB ASN 16 -18.211 3.470 8.885 706 HB3 ASN 16 1HB ASN 16 -18.909 2.049 8.121 707 HD21 ASN 16 1HD2 ASN 16 -18.756 2.751 10.913 708 HD22 ASN 16 2HD2 ASN 16 -17.922 1.458 11.704 709 H ALA 17 H ALA 17 -18.586 1.366 5.920 710 HA ALA 17 HA ALA 17 -17.719 -1.289 6.060 711 HB1 ALA 17 1HB ALA 17 -19.177 0.048 3.780 712 HB2 ALA 17 2HB ALA 17 -19.925 -0.636 5.224 713 HB3 ALA 17 3HB ALA 17 -19.084 -1.687 4.084 714 H GLN 18 H GLN 18 -16.916 1.269 3.747 715 HA GLN 18 HA GLN 18 -15.396 -0.281 1.967 716 HB2 GLN 18 2HB GLN 18 -16.224 1.962 1.436 717 HB3 GLN 18 1HB GLN 18 -15.149 2.654 2.639 718 HG2 GLN 18 2HG GLN 18 -13.219 2.003 1.357 719 HG3 GLN 18 1HG GLN 18 -14.237 1.153 0.196 720 HE21 GLN 18 1HE2 GLN 18 -16.292 3.238 0.259 721 HE22 GLN 18 2HE2 GLN 18 -15.656 4.555 -0.660 722 H ALA 19 H ALA 19 -14.345 1.716 4.726 723 HA ALA 19 HA ALA 19 -11.588 1.135 4.416 724 HB1 ALA 19 1HB ALA 19 -12.415 3.119 5.606 725 HB2 ALA 19 2HB ALA 19 -11.305 2.169 6.592 726 HB3 ALA 19 3HB ALA 19 -13.040 2.079 6.885 727 H THR 20 H THR 20 -14.177 -0.439 6.165 728 HA THR 20 HA THR 20 -12.529 -2.127 7.740 729 HB THR 20 HB THR 20 -15.388 -2.538 6.840 730 HG1 THR 20 1HG THR 20 -15.397 -0.750 8.100 731 HG21 THR 20 1HG2 THR 20 -15.577 -4.075 8.727 732 HG22 THR 20 2HG2 THR 20 -13.868 -3.851 9.103 733 HG23 THR 20 3HG2 THR 20 -14.345 -4.633 7.596 734 H ALA 21 H ALA 21 -14.148 -2.560 4.606 735 HA ALA 21 HA ALA 21 -13.341 -5.236 4.218 736 HB1 ALA 21 1HB ALA 21 -14.022 -3.161 2.141 737 HB2 ALA 21 2HB ALA 21 -15.177 -4.199 2.978 738 HB3 ALA 21 3HB ALA 21 -13.978 -4.906 1.895 739 H LEU 22 H LEU 22 -11.925 -2.158 3.151 740 HA LEU 22 HA LEU 22 -9.839 -3.260 1.630 741 HG LEU 22 HG LEU 22 -11.651 -0.810 1.231 742 HB2 LEU 22 2HB LEU 22 -10.028 -0.614 3.064 743 HB3 LEU 22 1HB LEU 22 -8.729 -1.036 1.965 744 HD11 LEU 22 1HD1 LEU 22 -10.625 1.350 1.675 745 HD12 LEU 22 2HD1 LEU 22 -10.925 1.145 -0.051 746 HD13 LEU 22 3HD1 LEU 22 -9.293 0.954 0.589 747 HD21 LEU 22 1HD2 LEU 22 -9.233 -1.351 -0.490 748 HD22 LEU 22 2HD2 LEU 22 -10.883 -1.107 -1.066 749 HD23 LEU 22 3HD2 LEU 22 -10.492 -2.517 -0.082 750 H LYS 23 H LYS 23 -10.077 -2.531 5.059 751 HA LYS 23 HA LYS 23 -7.441 -2.810 5.854 752 HB2 LYS 23 2HB LYS 23 -9.172 -2.130 7.407 753 HB3 LYS 23 1HB LYS 23 -9.969 -3.689 7.264 754 HG2 LYS 23 2HG LYS 23 -7.855 -4.708 8.203 755 HG3 LYS 23 1HG LYS 23 -7.346 -3.064 8.579 756 HD2 LYS 23 2HD LYS 23 -9.977 -4.170 9.514 757 HD3 LYS 23 1HD LYS 23 -8.490 -4.410 10.429 758 HE2 LYS 23 2HE LYS 23 -9.543 -2.524 11.374 759 HE3 LYS 23 1HE LYS 23 -8.218 -1.899 10.399 760 HZ1 LYS 23 1HZ LYS 23 -10.200 -0.594 10.081 761 HZ2 LYS 23 2HZ LYS 23 -11.083 -1.959 9.620 762 HZ3 LYS 23 3HZ LYS 23 -9.818 -1.398 8.642 763 H MET 24 H MET 24 -9.907 -5.353 5.563 764 HA MET 24 HA MET 24 -8.128 -7.453 6.308 765 HB2 MET 24 2HB MET 24 -10.824 -7.560 4.941 766 HB3 MET 24 1HB MET 24 -9.978 -8.946 5.611 767 HG2 MET 24 2HG MET 24 -10.119 -7.979 7.835 768 HG3 MET 24 1HG MET 24 -10.936 -6.562 7.172 769 HE1 MET 24 1HE MET 24 -12.055 -8.359 9.594 770 HE2 MET 24 2HE MET 24 -13.767 -8.423 9.177 771 HE3 MET 24 3HE MET 24 -12.864 -6.918 8.989 772 H ASP 25 H ASP 25 -9.295 -6.150 3.260 773 HA ASP 25 HA ASP 25 -8.317 -8.261 1.629 774 HB2 ASP 25 2HB ASP 25 -10.123 -6.552 1.052 775 HB3 ASP 25 1HB ASP 25 -8.809 -5.430 0.714 776 H LEU 26 H LEU 26 -6.965 -5.189 2.700 777 HA LEU 26 HA LEU 26 -4.650 -5.267 1.066 778 HG LEU 26 HG LEU 26 -2.687 -3.981 3.176 779 HB2 LEU 26 2HB LEU 26 -5.431 -3.219 2.165 780 HB3 LEU 26 1HB LEU 26 -5.093 -3.921 3.735 781 HD11 LEU 26 1HD1 LEU 26 -2.891 -4.145 0.742 782 HD12 LEU 26 2HD1 LEU 26 -1.858 -2.799 1.217 783 HD13 LEU 26 3HD1 LEU 26 -3.511 -2.495 0.684 784 HD21 LEU 26 1HD2 LEU 26 -2.311 -1.558 3.293 785 HD22 LEU 26 2HD2 LEU 26 -3.576 -2.091 4.400 786 HD23 LEU 26 3HD2 LEU 26 -4.006 -1.286 2.890 787 H HIS 27 H HIS 27 -5.334 -6.410 4.355 788 HA HIS 27 HA HIS 27 -2.752 -7.374 4.932 789 HD1 HIS 27 1HD HIS 27 -5.130 -10.649 6.924 790 HD2 HIS 27 2HD HIS 27 -1.773 -8.258 7.461 791 HE1 HIS 27 1HE HIS 27 -3.537 -12.014 8.308 792 HE2 HIS 27 2HE HIS 27 -1.561 -10.501 8.736 793 HB2 HIS 27 2HB HIS 27 -4.462 -7.144 6.677 794 HB3 HIS 27 1HB HIS 27 -5.426 -8.407 5.919 795 H ASP 28 H ASP 28 -5.512 -8.801 3.323 796 HA ASP 28 HA ASP 28 -4.529 -11.401 2.949 797 HB2 ASP 28 2HB ASP 28 -6.871 -10.772 2.558 798 HB3 ASP 28 1HB ASP 28 -6.382 -9.769 1.197 799 H LEU 29 H LEU 29 -4.203 -8.465 1.028 800 HA LEU 29 HA LEU 29 -2.901 -9.621 -1.191 801 HG LEU 29 HG LEU 29 -1.067 -7.199 -1.884 802 HB2 LEU 29 2HB LEU 29 -4.005 -7.433 -1.241 803 HB3 LEU 29 1HB LEU 29 -2.792 -6.793 -0.151 804 HD11 LEU 29 1HD1 LEU 29 -3.425 -7.870 -3.639 805 HD12 LEU 29 2HD1 LEU 29 -2.211 -9.015 -3.072 806 HD13 LEU 29 3HD1 LEU 29 -1.748 -7.707 -4.160 807 HD21 LEU 29 1HD2 LEU 29 -1.740 -5.349 -3.327 808 HD22 LEU 29 2HD2 LEU 29 -2.121 -5.012 -1.639 809 HD23 LEU 29 3HD2 LEU 29 -3.400 -5.497 -2.751 810 H ALA 30 H ALA 30 -1.681 -8.110 1.761 811 HA ALA 30 HA ALA 30 1.045 -8.107 1.119 812 HB1 ALA 30 1HB ALA 30 -0.220 -8.398 3.844 813 HB2 ALA 30 2HB ALA 30 0.107 -6.874 3.018 814 HB3 ALA 30 3HB ALA 30 1.443 -7.910 3.517 815 H GLU 31 H GLU 31 -1.063 -10.682 2.110 816 HA GLU 31 HA GLU 31 1.021 -12.467 2.913 817 HB2 GLU 31 2HB GLU 31 -1.889 -12.936 2.272 818 HB3 GLU 31 1HB GLU 31 -0.805 -14.138 2.943 819 HG2 GLU 31 2HG GLU 31 -0.447 -12.592 4.883 820 HG3 GLU 31 1HG GLU 31 -1.750 -11.600 4.226 821 H ASP 32 H ASP 32 -0.386 -11.532 -0.079 822 HA ASP 32 HA ASP 32 0.372 -14.051 -1.366 823 HB2 ASP 32 2HB ASP 32 -1.943 -13.045 -1.687 824 HB3 ASP 32 1HB ASP 32 -1.161 -11.786 -2.639 825 H LEU 33 H LEU 33 2.179 -11.828 -0.497 826 HA LEU 33 HA LEU 33 3.429 -10.501 -2.557 827 HG LEU 33 HG LEU 33 3.329 -9.516 0.082 828 HB2 LEU 33 2HB LEU 33 4.390 -11.728 -0.008 829 HB3 LEU 33 1HB LEU 33 5.577 -11.113 -1.145 830 HD11 LEU 33 1HD1 LEU 33 5.105 -8.330 1.254 831 HD12 LEU 33 2HD1 LEU 33 6.305 -9.414 0.550 832 HD13 LEU 33 3HD1 LEU 33 5.102 -10.041 1.676 833 HD21 LEU 33 1HD2 LEU 33 4.400 -7.597 -1.002 834 HD22 LEU 33 2HD2 LEU 33 3.843 -8.780 -2.188 835 HD23 LEU 33 3HD2 LEU 33 5.556 -8.681 -1.775 836 HA PRO 34 HA PRO 34 5.796 -11.226 -5.528 837 HB2 PRO 34 2HB PRO 34 6.651 -13.991 -4.711 838 HB3 PRO 34 1HB PRO 34 7.414 -12.897 -5.876 839 HG2 PRO 34 2HG PRO 34 8.035 -13.010 -3.155 840 HG3 PRO 34 1HG PRO 34 8.403 -11.650 -4.230 841 HD2 PRO 34 2HD PRO 34 6.653 -11.570 -2.019 842 HD3 PRO 34 1HD PRO 34 6.718 -10.367 -3.329 843 H THR 35 H THR 35 4.538 -11.308 -7.012 844 HA THR 35 HA THR 35 3.344 -12.190 -8.796 845 HB THR 35 HB THR 35 2.429 -14.431 -6.974 846 HG1 THR 35 1HG THR 35 4.316 -14.559 -9.109 847 HG21 THR 35 1HG2 THR 35 1.702 -15.503 -9.067 848 HG22 THR 35 2HG2 THR 35 2.171 -14.059 -9.964 849 HG23 THR 35 3HG2 THR 35 0.856 -13.980 -8.793 850 H GLY 36 H GLY 36 2.446 -11.453 -5.619 851 HA2 GLY 36 2HA GLY 36 0.043 -10.122 -6.698 852 HA3 GLY 36 1HA GLY 36 0.060 -10.837 -5.088 853 H TRP 37 H TRP 37 2.398 -8.846 -6.869 854 HA TRP 37 HA TRP 37 2.697 -7.209 -4.445 855 HD1 TRP 37 HD TRP 37 4.295 -10.008 -7.206 856 HE1 TRP 37 1HE TRP 37 5.228 -9.794 -9.596 857 HE3 TRP 37 3HE TRP 37 5.746 -5.107 -7.060 858 HZ2 TRP 37 2HZ TRP 37 6.437 -7.807 -11.196 859 HZ3 TRP 37 3HZ TRP 37 6.785 -4.125 -9.063 860 HH2 TRP 37 HH TRP 37 7.124 -5.449 -11.088 861 HB2 TRP 37 2HB TRP 37 4.980 -6.708 -5.319 862 HB3 TRP 37 1HB TRP 37 4.715 -8.417 -4.990 863 H ASN 38 H ASN 38 1.986 -7.070 -7.845 864 HA ASN 38 HA ASN 38 2.642 -4.306 -8.181 865 HB2 ASN 38 2HB ASN 38 2.601 -5.901 -10.076 866 HB3 ASN 38 1HB ASN 38 0.859 -6.065 -9.888 867 HD21 ASN 38 1HD2 ASN 38 3.450 -4.010 -10.936 868 HD22 ASN 38 2HD2 ASN 38 2.468 -2.842 -11.751 869 H ARG 39 H ARG 39 -0.045 -6.005 -6.922 870 HA ARG 39 HA ARG 39 -1.979 -3.907 -7.374 871 HE ARG 39 HE ARG 39 -4.508 -6.657 -8.222 872 HB2 ARG 39 2HB ARG 39 -2.544 -6.353 -7.295 873 HB3 ARG 39 1HB ARG 39 -2.190 -6.329 -5.575 874 HG2 ARG 39 2HG ARG 39 -4.530 -6.187 -5.796 875 HG3 ARG 39 1HG ARG 39 -3.971 -4.578 -5.337 876 HD2 ARG 39 2HD ARG 39 -5.628 -4.366 -7.067 877 HD3 ARG 39 1HD ARG 39 -4.054 -3.922 -7.727 878 HH11 ARG 39 1HH1 ARG 39 -5.749 -3.513 -9.212 879 HH12 ARG 39 2HH1 ARG 39 -6.218 -4.072 -10.791 880 HH21 ARG 39 1HH2 ARG 39 -5.139 -7.364 -10.312 881 HH22 ARG 39 2HH2 ARG 39 -5.891 -6.243 -11.409 882 H ILE 40 H ILE 40 0.520 -4.399 -5.203 883 HA ILE 40 HA ILE 40 -0.567 -3.788 -2.707 884 HB ILE 40 HB ILE 40 2.208 -3.396 -3.804 885 HG12 ILE 40 2HG1 ILE 40 1.040 -5.413 -1.879 886 HG13 ILE 40 1HG1 ILE 40 1.410 -5.712 -3.573 887 HG21 ILE 40 1HG2 ILE 40 3.006 -3.042 -1.542 888 HG22 ILE 40 2HG2 ILE 40 1.352 -3.102 -0.927 889 HG23 ILE 40 3HG2 ILE 40 1.850 -1.784 -1.988 890 HD11 ILE 40 1HD1 ILE 40 3.778 -5.323 -3.123 891 HD12 ILE 40 2HD1 ILE 40 3.125 -6.624 -2.125 892 HD13 ILE 40 3HD1 ILE 40 3.403 -5.030 -1.425 893 H MET 41 H MET 41 1.021 -1.578 -5.023 894 HA MET 41 HA MET 41 0.732 0.707 -3.382 895 HB2 MET 41 2HB MET 41 2.384 0.632 -5.156 896 HB3 MET 41 1HB MET 41 1.122 0.467 -6.369 897 HG2 MET 41 2HG MET 41 0.304 2.700 -5.828 898 HG3 MET 41 1HG MET 41 1.558 2.863 -4.601 899 HE1 MET 41 1HE MET 41 4.827 2.946 -6.718 900 HE2 MET 41 2HE MET 41 4.082 1.566 -5.914 901 HE3 MET 41 3HE MET 41 4.120 3.136 -5.111 902 H GLU 42 H GLU 42 -1.314 -0.805 -5.742 903 HA GLU 42 HA GLU 42 -3.083 1.338 -6.227 904 HB2 GLU 42 2HB GLU 42 -2.832 -0.696 -7.645 905 HB3 GLU 42 1HB GLU 42 -3.625 -1.629 -6.390 906 HG2 GLU 42 2HG GLU 42 -5.640 -0.242 -6.663 907 HG3 GLU 42 1HG GLU 42 -4.842 0.610 -7.988 908 H VAL 43 H VAL 43 -3.507 -1.579 -4.234 909 HA VAL 43 HA VAL 43 -5.950 -0.768 -3.092 910 HB VAL 43 HB VAL 43 -3.914 -2.698 -1.956 911 HG11 VAL 43 1HG1 VAL 43 -5.791 -3.650 -0.722 912 HG12 VAL 43 2HG1 VAL 43 -6.865 -2.418 -1.386 913 HG13 VAL 43 3HG1 VAL 43 -5.558 -1.953 -0.295 914 HG21 VAL 43 1HG2 VAL 43 -6.314 -3.203 -3.713 915 HG22 VAL 43 2HG2 VAL 43 -5.253 -4.435 -3.026 916 HG23 VAL 43 3HG2 VAL 43 -4.628 -3.297 -4.219 917 H ALA 44 H ALA 44 -2.602 -0.428 -1.973 918 HA ALA 44 HA ALA 44 -3.140 0.579 0.583 919 HB1 ALA 44 1HB ALA 44 -0.924 -0.175 -0.113 920 HB2 ALA 44 2HB ALA 44 -0.867 1.464 0.536 921 HB3 ALA 44 3HB ALA 44 -0.796 1.204 -1.206 922 H GLU 45 H GLU 45 -2.731 2.258 -2.514 923 HA GLU 45 HA GLU 45 -2.837 4.891 -1.579 924 HB2 GLU 45 2HB GLU 45 -2.203 4.276 -3.871 925 HB3 GLU 45 1HB GLU 45 -3.850 3.755 -4.193 926 HG2 GLU 45 2HG GLU 45 -4.571 6.108 -3.704 927 HG3 GLU 45 1HG GLU 45 -2.865 6.544 -3.682 928 H LYS 46 H LYS 46 -5.431 2.780 -2.728 929 HA LYS 46 HA LYS 46 -7.489 4.697 -2.360 930 HB2 LYS 46 2HB LYS 46 -7.286 2.299 -3.651 931 HB3 LYS 46 1HB LYS 46 -8.276 1.864 -2.265 932 HG2 LYS 46 2HG LYS 46 -9.571 2.516 -4.285 933 HG3 LYS 46 1HG LYS 46 -9.938 3.477 -2.852 934 HD2 LYS 46 2HD LYS 46 -9.721 4.837 -4.918 935 HD3 LYS 46 1HD LYS 46 -8.575 5.297 -3.657 936 HE2 LYS 46 2HE LYS 46 -6.895 3.811 -4.820 937 HE3 LYS 46 1HE LYS 46 -8.043 3.696 -6.153 938 HZ1 LYS 46 1HZ LYS 46 -6.250 5.463 -6.312 939 HZ2 LYS 46 2HZ LYS 46 -7.107 6.308 -5.115 940 HZ3 LYS 46 3HZ LYS 46 -7.842 5.968 -6.608 941 H THR 47 H THR 47 -6.129 2.176 -0.323 942 HA THR 47 HA THR 47 -8.092 2.304 1.719 943 HB THR 47 HB THR 47 -5.178 1.504 1.954 944 HG1 THR 47 1HG THR 47 -6.186 0.165 0.473 945 HG21 THR 47 1HG2 THR 47 -5.915 0.226 3.911 946 HG22 THR 47 2HG2 THR 47 -7.550 0.857 3.717 947 HG23 THR 47 3HG2 THR 47 -6.226 1.948 4.128 948 H TYR 48 H TYR 48 -4.976 3.968 1.244 949 HA TYR 48 HA TYR 48 -5.036 5.420 3.660 950 HD1 TYR 48 2HD TYR 48 -2.914 6.487 4.661 951 HD2 TYR 48 1HD TYR 48 -3.369 8.419 0.897 952 HE1 TYR 48 2HE TYR 48 -2.146 8.598 5.661 953 HE2 TYR 48 1HE TYR 48 -2.591 10.531 1.882 954 HH TYR 48 HH TYR 48 -1.169 10.708 4.999 955 HB2 TYR 48 2HB TYR 48 -2.980 5.232 2.371 956 HB3 TYR 48 1HB TYR 48 -3.701 6.123 1.033 957 H GLU 49 H GLU 49 -6.120 6.262 0.367 958 HA GLU 49 HA GLU 49 -7.080 8.809 0.840 959 HB2 GLU 49 2HB GLU 49 -8.050 6.632 -0.995 960 HB3 GLU 49 1HB GLU 49 -8.789 8.218 -0.962 961 HG2 GLU 49 2HG GLU 49 -6.517 9.169 -1.452 962 HG3 GLU 49 1HG GLU 49 -5.984 7.511 -1.741 963 H ALA 50 H ALA 50 -8.751 5.709 1.239 964 HA ALA 50 HA ALA 50 -11.226 6.733 2.063 965 HB1 ALA 50 1HB ALA 50 -9.991 4.105 2.881 966 HB2 ALA 50 2HB ALA 50 -10.835 4.395 1.360 967 HB3 ALA 50 3HB ALA 50 -11.704 4.519 2.890 968 H TYR 51 H TYR 51 -8.523 5.511 4.050 969 HA TYR 51 HA TYR 51 -9.695 6.042 6.530 970 HD1 TYR 51 2HD TYR 51 -8.205 3.259 5.298 971 HD2 TYR 51 1HD TYR 51 -7.683 5.170 9.061 972 HE1 TYR 51 2HE TYR 51 -8.736 1.145 6.440 973 HE2 TYR 51 1HE TYR 51 -8.212 3.067 10.211 974 HH TYR 51 HH TYR 51 -9.340 1.015 9.831 975 HB2 TYR 51 2HB TYR 51 -6.982 5.451 5.550 976 HB3 TYR 51 1HB TYR 51 -7.054 6.292 7.097 977 H ARG 52 H ARG 52 -7.770 8.128 4.445 978 HA ARG 52 HA ARG 52 -7.531 10.248 6.313 979 HE ARG 52 HE ARG 52 -5.660 14.338 4.404 980 HB2 ARG 52 2HB ARG 52 -6.083 10.067 4.346 981 HB3 ARG 52 1HB ARG 52 -7.469 10.314 3.291 982 HG2 ARG 52 2HG ARG 52 -7.744 12.546 4.033 983 HG3 ARG 52 1HG ARG 52 -6.576 12.316 5.331 984 HD2 ARG 52 2HD ARG 52 -4.832 11.915 3.605 985 HD3 ARG 52 1HD ARG 52 -6.027 12.311 2.370 986 HH11 ARG 52 1HH1 ARG 52 -4.677 13.128 1.264 987 HH12 ARG 52 2HH1 ARG 52 -4.004 14.647 0.743 988 HH21 ARG 52 1HH2 ARG 52 -4.778 16.337 3.726 989 HH22 ARG 52 2HH2 ARG 52 -4.060 16.474 2.144 990 H GLN 53 H GLN 53 -9.785 9.635 3.655 991 HA GLN 53 HA GLN 53 -11.387 11.910 4.001 992 HB2 GLN 53 2HB GLN 53 -11.422 10.443 2.002 993 HB3 GLN 53 1HB GLN 53 -12.230 9.205 2.950 994 HG2 GLN 53 2HG GLN 53 -14.167 10.584 3.220 995 HG3 GLN 53 1HG GLN 53 -13.351 11.955 2.469 996 HE21 GLN 53 1HE2 GLN 53 -13.052 11.972 0.232 997 HE22 GLN 53 2HE2 GLN 53 -13.910 10.899 -0.816 998 H LEU 54 H LEU 54 -11.477 8.742 5.563 999 HA LEU 54 HA LEU 54 -13.864 9.053 7.002 1000 HG LEU 54 HG LEU 54 -14.371 6.802 7.619 1001 HB2 LEU 54 2HB LEU 54 -11.438 7.402 7.248 1002 HB3 LEU 54 1HB LEU 54 -12.291 7.678 8.750 1003 HD11 LEU 54 1HD1 LEU 54 -13.721 7.106 5.312 1004 HD12 LEU 54 2HD1 LEU 54 -14.045 5.401 5.631 1005 HD13 LEU 54 3HD1 LEU 54 -12.382 5.976 5.515 1006 HD21 LEU 54 1HD2 LEU 54 -12.016 4.933 7.844 1007 HD22 LEU 54 2HD2 LEU 54 -13.717 4.462 7.862 1008 HD23 LEU 54 3HD2 LEU 54 -13.062 5.453 9.167 1009 H ASP 55 H ASP 55 -10.523 9.853 7.919 1010 HA ASP 55 HA ASP 55 -11.141 10.996 10.415 1011 HB2 ASP 55 2HB ASP 55 -8.864 10.378 9.914 1012 HB3 ASP 55 1HB ASP 55 -8.815 11.484 8.545 1013 H GLU 56 H GLU 56 -10.770 12.472 7.202 1014 HA GLU 56 HA GLU 56 -11.184 15.097 7.888 1015 HB2 GLU 56 2HB GLU 56 -10.408 14.362 5.692 1016 HB3 GLU 56 1HB GLU 56 -11.954 13.575 5.390 1017 HG2 GLU 56 2HG GLU 56 -13.040 15.752 5.577 1018 HG3 GLU 56 1HG GLU 56 -11.456 16.490 5.740 1019 H PHE 57 H PHE 57 -13.553 12.604 6.941 1020 HA PHE 57 HA PHE 57 -15.821 14.232 7.171 1021 HD1 PHE 57 2HD PHE 57 -17.975 13.542 5.925 1022 HD2 PHE 57 1HD PHE 57 -17.419 10.596 8.945 1023 HE1 PHE 57 2HE PHE 57 -20.399 13.508 6.335 1024 HE2 PHE 57 1HE PHE 57 -19.845 10.559 9.360 1025 HZ PHE 57 HZ PHE 57 -21.338 12.015 8.052 1026 HB2 PHE 57 2HB PHE 57 -15.884 12.017 6.098 1027 HB3 PHE 57 1HB PHE 57 -15.611 11.251 7.660 1028 H ARG 58 H ARG 58 -14.112 12.273 9.569 1029 HA ARG 58 HA ARG 58 -15.939 12.530 11.669 1030 HE ARG 58 HE ARG 58 -16.274 11.855 13.095 1031 HB2 ARG 58 2HB ARG 58 -12.999 11.981 11.509 1032 HB3 ARG 58 1HB ARG 58 -13.764 12.204 13.070 1033 HG2 ARG 58 2HG ARG 58 -14.992 10.277 11.173 1034 HG3 ARG 58 1HG ARG 58 -13.494 9.820 11.983 1035 HD2 ARG 58 2HD ARG 58 -15.548 9.075 13.170 1036 HD3 ARG 58 1HD ARG 58 -14.497 10.103 14.140 1037 HH11 ARG 58 1HH1 ARG 58 -16.664 8.817 14.789 1038 HH12 ARG 58 2HH1 ARG 58 -18.119 9.313 15.600 1039 HH21 ARG 58 1HH2 ARG 58 -18.211 12.508 14.156 1040 HH22 ARG 58 2HH2 ARG 58 -19.003 11.402 15.238 1041 H LYS 59 H LYS 59 -13.200 14.585 10.730 1042 HA LYS 59 HA LYS 59 -13.629 16.387 12.938 1043 HB2 LYS 59 2HB LYS 59 -11.877 16.525 10.482 1044 HB3 LYS 59 1HB LYS 59 -11.921 17.787 11.708 1045 HG2 LYS 59 2HG LYS 59 -10.989 16.411 13.337 1046 HG3 LYS 59 1HG LYS 59 -11.369 14.940 12.443 1047 HD2 LYS 59 2HD LYS 59 -9.700 15.485 10.777 1048 HD3 LYS 59 1HD LYS 59 -9.371 17.023 11.580 1049 HE2 LYS 59 2HE LYS 59 -8.416 15.951 13.455 1050 HE3 LYS 59 1HE LYS 59 -9.060 14.380 12.983 1051 HZ1 LYS 59 1HZ LYS 59 -6.693 14.540 12.523 1052 HZ2 LYS 59 2HZ LYS 59 -6.952 15.881 11.522 1053 HZ3 LYS 59 3HZ LYS 59 -7.574 14.365 11.085 1054 H SER 60 H SER 60 -14.477 16.340 9.522 1055 HA SER 60 HA SER 60 -15.522 18.949 9.416 1056 HG SER 60 HG SER 60 -14.225 16.822 7.374 1057 HB2 SER 60 2HB SER 60 -16.347 16.534 7.791 1058 HB3 SER 60 1HB SER 60 -16.678 18.217 7.380 1059 H THR 61 H THR 61 -17.046 15.837 10.185 1060 HA THR 61 HA THR 61 -19.636 16.996 10.531 1061 HB THR 61 HB THR 61 -19.309 14.585 9.963 1062 HG1 THR 61 1HG THR 61 -20.795 15.210 12.317 1063 HG21 THR 61 1HG2 THR 61 -18.834 12.997 11.751 1064 HG22 THR 61 2HG2 THR 61 -18.548 14.327 12.875 1065 HG23 THR 61 3HG2 THR 61 -17.468 14.084 11.501 1066 H ALA 62 H ALA 62 -16.855 16.625 12.562 1067 HA ALA 62 HA ALA 62 -18.080 16.830 15.090 1068 HB1 ALA 62 1HB ALA 62 -15.722 16.225 14.817 1069 HB2 ALA 62 2HB ALA 62 -15.902 17.608 15.896 1070 HB3 ALA 62 3HB ALA 62 -15.368 17.850 14.232 1071 H SER 63 H SER 63 -17.185 19.175 12.664 1072 HA SER 63 HA SER 63 -17.715 21.528 14.115 1073 HG SER 63 HG SER 63 -17.297 23.396 11.344 1074 HB2 SER 63 2HB SER 63 -16.547 21.484 11.929 1075 HB3 SER 63 1HB SER 63 -18.060 21.030 11.144 1076 H LEU 64 H LEU 64 -19.811 19.328 12.334 1077 HA LEU 64 HA LEU 64 -22.162 20.933 12.671 1078 HG LEU 64 HG LEU 64 -22.881 18.891 9.682 1079 HB2 LEU 64 2HB LEU 64 -21.689 18.121 11.730 1080 HB3 LEU 64 1HB LEU 64 -23.312 18.709 12.020 1081 HD11 LEU 64 1HD1 LEU 64 -22.636 21.607 10.955 1082 HD12 LEU 64 2HD1 LEU 64 -24.133 20.734 10.629 1083 HD13 LEU 64 3HD1 LEU 64 -23.128 21.291 9.291 1084 HD21 LEU 64 1HD2 LEU 64 -21.018 20.208 8.772 1085 HD22 LEU 64 2HD2 LEU 64 -20.464 18.807 9.689 1086 HD23 LEU 64 3HD2 LEU 64 -20.387 20.418 10.405 1087 H GLU 65 H GLU 65 -20.692 18.212 14.313 1088 HA GLU 65 HA GLU 65 -22.727 17.687 16.162 1089 HB2 GLU 65 2HB GLU 65 -19.741 17.289 16.254 1090 HB3 GLU 65 1HB GLU 65 -20.841 16.661 17.458 1091 HG2 GLU 65 2HG GLU 65 -21.936 15.278 15.810 1092 HG3 GLU 65 1HG GLU 65 -20.931 15.973 14.538 1093 H HIS 66 H HIS 66 -20.631 20.276 15.837 1094 HA HIS 66 HA HIS 66 -20.338 21.048 18.556 1095 HD1 HIS 66 1HD HIS 66 -19.597 25.119 16.554 1096 HD2 HIS 66 2HD HIS 66 -18.703 22.632 19.759 1097 HE1 HIS 66 1HE HIS 66 -18.770 26.640 18.374 1098 HE2 HIS 66 2HE HIS 66 -18.475 25.137 20.376 1099 HB2 HIS 66 2HB HIS 66 -18.834 21.785 16.717 1100 HB3 HIS 66 1HB HIS 66 -20.147 22.764 16.071 1101 H HIS 67 H HIS 67 -22.877 21.376 16.233 1102 HA HIS 67 HA HIS 67 -24.262 23.546 17.496 1103 HD1 HIS 67 1HD HIS 67 -24.535 25.054 15.522 1104 HD2 HIS 67 2HD HIS 67 -24.644 21.625 13.169 1105 HE1 HIS 67 1HE HIS 67 -23.831 25.786 13.221 1106 HE2 HIS 67 2HE HIS 67 -24.163 23.749 11.779 1107 HB2 HIS 67 2HB HIS 67 -25.341 21.326 15.731 1108 HB3 HIS 67 1HB HIS 67 -26.240 22.754 16.218 1109 H HIS 68 H HIS 68 -26.198 23.350 18.833 1110 HA HIS 68 HA HIS 68 -26.151 21.173 20.658 1111 HD1 HIS 68 1HD HIS 68 -30.486 22.530 21.080 1112 HD2 HIS 68 2HD HIS 68 -27.862 24.808 18.784 1113 HE1 HIS 68 1HE HIS 68 -31.933 24.057 19.697 1114 HE2 HIS 68 2HE HIS 68 -30.318 25.557 18.487 1115 HB2 HIS 68 2HB HIS 68 -28.147 22.094 21.666 1116 HB3 HIS 68 1HB HIS 68 -27.029 23.396 21.309 1117 H HIS 69 H HIS 69 -26.335 19.270 19.752 1118 HA HIS 69 HA HIS 69 -27.686 18.649 17.429 1119 HD1 HIS 69 1HD HIS 69 -28.134 15.514 20.651 1120 HD2 HIS 69 2HD HIS 69 -24.595 17.692 20.394 1121 HE1 HIS 69 1HE HIS 69 -26.997 15.240 22.881 1122 HE2 HIS 69 2HE HIS 69 -24.818 16.491 22.674 1123 HB2 HIS 69 2HB HIS 69 -27.488 16.225 18.245 1124 HB3 HIS 69 1HB HIS 69 -26.006 17.144 18.037 1125 H HIS 70 H HIS 70 -29.675 18.578 16.933 1126 HA HIS 70 HA HIS 70 -31.880 18.101 16.878 1127 HD1 HIS 70 1HD HIS 70 -33.656 16.085 20.498 1128 HD2 HIS 70 2HD HIS 70 -33.878 16.272 16.347 1129 HE1 HIS 70 1HE HIS 70 -36.044 15.556 19.918 1130 HE2 HIS 70 2HE HIS 70 -36.114 15.514 17.397 1131 HB2 HIS 70 2HB HIS 70 -31.282 15.905 17.861 1132 HB3 HIS 70 1HB HIS 70 -31.459 16.595 19.470 1133 H HIS 71 H HIS 71 -31.267 18.465 20.377 1134 HA HIS 71 HA HIS 71 -32.747 20.960 20.384 1135 HD1 HIS 71 1HD HIS 71 -34.234 20.129 24.148 1136 HD2 HIS 71 2HD HIS 71 -35.851 21.547 20.587 1137 HE1 HIS 71 1HE HIS 71 -35.854 21.939 24.809 1138 HE2 HIS 71 2HE HIS 71 -36.970 22.627 22.654 1139 HB2 HIS 71 2HB HIS 71 -34.442 19.085 20.599 1140 HB3 HIS 71 1HB HIS 71 -33.680 18.676 22.131 Start of MODEL 16 1 HA MET 1 HA MET 1 33.452 -7.282 -20.298 2 H1 MET 1 1H MET 1 32.300 -9.125 -21.422 3 H2 MET 1 2H MET 1 30.855 -8.240 -21.351 4 H3 MET 1 3H MET 1 31.627 -8.720 -19.923 5 HB2 MET 1 2HB MET 1 33.255 -7.636 -22.845 6 HB3 MET 1 1HB MET 1 32.108 -6.308 -22.813 7 HG2 MET 1 2HG MET 1 34.936 -6.118 -21.803 8 HG3 MET 1 1HG MET 1 34.436 -5.680 -23.434 9 HE1 MET 1 1HE MET 1 35.113 -2.170 -21.919 10 HE2 MET 1 2HE MET 1 35.423 -3.287 -23.251 11 HE3 MET 1 3HE MET 1 36.027 -3.653 -21.636 12 H SER 2 H SER 2 30.587 -5.838 -21.875 13 HA SER 2 HA SER 2 30.338 -3.944 -19.684 14 HG SER 2 HG SER 2 30.994 -2.807 -21.647 15 HB2 SER 2 2HB SER 2 28.616 -4.252 -22.151 16 HB3 SER 2 1HB SER 2 28.633 -2.874 -21.054 17 H GLU 3 H GLU 3 28.822 -4.015 -18.143 18 HA GLU 3 HA GLU 3 27.528 -5.022 -16.594 19 HB2 GLU 3 2HB GLU 3 25.762 -4.636 -18.261 20 HB3 GLU 3 1HB GLU 3 26.081 -6.216 -18.954 21 HG2 GLU 3 2HG GLU 3 25.253 -7.334 -17.061 22 HG3 GLU 3 1HG GLU 3 25.306 -5.872 -16.079 23 H GLY 4 H GLY 4 28.442 -6.433 -15.386 24 HA2 GLY 4 2HA GLY 4 29.326 -8.997 -16.564 25 HA3 GLY 4 1HA GLY 4 30.285 -8.096 -15.404 26 H ALA 5 H ALA 5 29.223 -10.832 -15.361 27 HA ALA 5 HA ALA 5 27.026 -11.108 -13.647 28 HB1 ALA 5 1HB ALA 5 27.787 -13.412 -13.343 29 HB2 ALA 5 2HB ALA 5 29.335 -12.998 -14.080 30 HB3 ALA 5 3HB ALA 5 27.855 -12.922 -15.035 31 H GLU 6 H GLU 6 30.352 -10.361 -12.960 32 HA GLU 6 HA GLU 6 30.312 -11.133 -10.220 33 HB2 GLU 6 2HB GLU 6 32.040 -9.114 -11.656 34 HB3 GLU 6 1HB GLU 6 32.315 -9.685 -10.016 35 HG2 GLU 6 2HG GLU 6 32.322 -11.407 -12.482 36 HG3 GLU 6 1HG GLU 6 33.750 -10.794 -11.651 37 H GLU 7 H GLU 7 29.960 -7.981 -11.827 38 HA GLU 7 HA GLU 7 29.244 -6.544 -9.508 39 HB2 GLU 7 2HB GLU 7 29.862 -5.594 -11.804 40 HB3 GLU 7 1HB GLU 7 28.199 -5.929 -12.270 41 HG2 GLU 7 2HG GLU 7 27.538 -4.555 -10.216 42 HG3 GLU 7 1HG GLU 7 29.209 -3.996 -10.213 43 H LEU 8 H LEU 8 27.373 -8.345 -11.883 44 HA LEU 8 HA LEU 8 24.804 -7.730 -11.030 45 HG LEU 8 HG LEU 8 23.442 -8.506 -12.968 46 HB2 LEU 8 2HB LEU 8 26.118 -9.838 -12.586 47 HB3 LEU 8 1HB LEU 8 24.613 -10.323 -11.842 48 HD11 LEU 8 1HD1 LEU 8 25.257 -6.888 -13.056 49 HD12 LEU 8 2HD1 LEU 8 24.547 -7.146 -14.650 50 HD13 LEU 8 3HD1 LEU 8 26.095 -7.888 -14.242 51 HD21 LEU 8 1HD2 LEU 8 23.619 -9.349 -15.257 52 HD22 LEU 8 2HD2 LEU 8 23.600 -10.663 -14.081 53 HD23 LEU 8 3HD2 LEU 8 25.119 -10.174 -14.833 54 H LYS 9 H LYS 9 27.116 -10.064 -9.769 55 HA LYS 9 HA LYS 9 25.320 -11.421 -8.043 56 HB2 LYS 9 2HB LYS 9 27.587 -12.243 -8.767 57 HB3 LYS 9 1HB LYS 9 28.302 -11.057 -7.690 58 HG2 LYS 9 2HG LYS 9 28.284 -13.242 -6.663 59 HG3 LYS 9 1HG LYS 9 27.226 -12.139 -5.782 60 HD2 LYS 9 2HD LYS 9 25.276 -13.108 -6.860 61 HD3 LYS 9 1HD LYS 9 26.306 -14.159 -7.834 62 HE2 LYS 9 2HE LYS 9 27.107 -15.260 -5.812 63 HE3 LYS 9 1HE LYS 9 26.110 -14.191 -4.828 64 HZ1 LYS 9 1HZ LYS 9 25.091 -16.367 -5.171 65 HZ2 LYS 9 2HZ LYS 9 25.069 -16.107 -6.849 66 HZ3 LYS 9 3HZ LYS 9 24.141 -15.124 -5.822 67 H ALA 10 H ALA 10 27.624 -8.776 -7.493 68 HA ALA 10 HA ALA 10 26.898 -8.349 -4.783 69 HB1 ALA 10 1HB ALA 10 28.094 -6.396 -6.748 70 HB2 ALA 10 2HB ALA 10 29.003 -7.537 -5.758 71 HB3 ALA 10 3HB ALA 10 28.091 -6.236 -4.990 72 H LYS 11 H LYS 11 25.754 -7.023 -7.833 73 HA LYS 11 HA LYS 11 24.054 -5.035 -6.793 74 HB2 LYS 11 2HB LYS 11 24.908 -5.756 -9.267 75 HB3 LYS 11 1HB LYS 11 23.271 -6.383 -9.309 76 HG2 LYS 11 2HG LYS 11 23.928 -3.543 -8.584 77 HG3 LYS 11 1HG LYS 11 23.598 -4.070 -10.232 78 HD2 LYS 11 2HD LYS 11 21.378 -4.835 -9.538 79 HD3 LYS 11 1HD LYS 11 21.714 -4.304 -7.887 80 HE2 LYS 11 2HE LYS 11 20.386 -2.640 -9.044 81 HE3 LYS 11 1HE LYS 11 21.992 -2.004 -8.697 82 HZ1 LYS 11 1HZ LYS 11 22.606 -2.578 -11.016 83 HZ2 LYS 11 2HZ LYS 11 21.399 -1.396 -10.902 84 HZ3 LYS 11 3HZ LYS 11 20.985 -2.988 -11.309 85 H LEU 12 H LEU 12 23.432 -8.386 -7.811 86 HA LEU 12 HA LEU 12 20.702 -8.426 -7.100 87 HG LEU 12 HG LEU 12 20.575 -11.393 -6.112 88 HB2 LEU 12 2HB LEU 12 21.757 -10.095 -8.572 89 HB3 LEU 12 1HB LEU 12 22.679 -10.710 -7.214 90 HD11 LEU 12 1HD1 LEU 12 19.280 -10.549 -8.700 91 HD12 LEU 12 2HD1 LEU 12 19.110 -9.727 -7.149 92 HD13 LEU 12 3HD1 LEU 12 18.490 -11.366 -7.350 93 HD21 LEU 12 1HD2 LEU 12 20.945 -12.453 -8.911 94 HD22 LEU 12 2HD2 LEU 12 20.082 -13.266 -7.605 95 HD23 LEU 12 3HD2 LEU 12 21.817 -12.983 -7.472 96 H LYS 13 H LYS 13 23.659 -9.238 -5.327 97 HA LYS 13 HA LYS 13 22.591 -10.201 -2.964 98 HB2 LYS 13 2HB LYS 13 25.029 -9.967 -3.639 99 HB3 LYS 13 1HB LYS 13 24.923 -8.293 -3.125 100 HG2 LYS 13 2HG LYS 13 25.791 -9.253 -1.251 101 HG3 LYS 13 1HG LYS 13 24.068 -9.351 -0.891 102 HD2 LYS 13 2HD LYS 13 25.701 -11.574 -2.105 103 HD3 LYS 13 1HD LYS 13 25.308 -11.436 -0.400 104 HE2 LYS 13 2HE LYS 13 22.903 -11.520 -0.993 105 HE3 LYS 13 1HE LYS 13 23.367 -11.783 -2.672 106 HZ1 LYS 13 1HZ LYS 13 24.608 -13.785 -1.869 107 HZ2 LYS 13 2HZ LYS 13 22.920 -13.890 -1.741 108 HZ3 LYS 13 3HZ LYS 13 23.853 -13.576 -0.363 109 H LYS 14 H LYS 14 23.145 -6.848 -3.935 110 HA LYS 14 HA LYS 14 22.298 -5.599 -1.572 111 HB2 LYS 14 2HB LYS 14 23.540 -4.610 -3.585 112 HB3 LYS 14 1HB LYS 14 21.961 -4.464 -4.344 113 HG2 LYS 14 2HG LYS 14 22.479 -2.363 -3.392 114 HG3 LYS 14 1HG LYS 14 21.241 -3.103 -2.373 115 HD2 LYS 14 2HD LYS 14 22.965 -2.092 -1.000 116 HD3 LYS 14 1HD LYS 14 22.996 -3.843 -0.812 117 HE2 LYS 14 2HE LYS 14 24.865 -3.992 -2.356 118 HE3 LYS 14 1HE LYS 14 24.809 -2.250 -2.618 119 HZ1 LYS 14 1HZ LYS 14 25.363 -1.907 -0.299 120 HZ2 LYS 14 2HZ LYS 14 26.541 -2.868 -1.055 121 HZ3 LYS 14 3HZ LYS 14 25.398 -3.583 -0.027 122 H LEU 15 H LEU 15 20.525 -6.204 -4.598 123 HA LEU 15 HA LEU 15 18.095 -5.083 -3.669 124 HG LEU 15 HG LEU 15 17.932 -4.887 -7.345 125 HB2 LEU 15 2HB LEU 15 18.896 -6.703 -6.040 126 HB3 LEU 15 1HB LEU 15 17.191 -6.515 -5.687 127 HD11 LEU 15 1HD1 LEU 15 17.104 -2.856 -6.265 128 HD12 LEU 15 2HD1 LEU 15 17.277 -3.627 -4.689 129 HD13 LEU 15 3HD1 LEU 15 16.116 -4.260 -5.857 130 HD21 LEU 15 1HD2 LEU 15 19.776 -3.871 -5.190 131 HD22 LEU 15 2HD2 LEU 15 19.479 -3.092 -6.743 132 HD23 LEU 15 3HD2 LEU 15 20.264 -4.670 -6.684 133 H ASN 16 H ASN 16 19.397 -8.341 -3.600 134 HA ASN 16 HA ASN 16 17.021 -9.722 -2.996 135 HB2 ASN 16 2HB ASN 16 19.121 -10.858 -3.627 136 HB3 ASN 16 1HB ASN 16 19.843 -10.365 -2.102 137 HD21 ASN 16 1HD2 ASN 16 17.582 -12.488 -3.646 138 HD22 ASN 16 2HD2 ASN 16 17.324 -13.536 -2.294 139 H ALA 17 H ALA 17 19.477 -8.273 -0.880 140 HA ALA 17 HA ALA 17 18.171 -8.896 1.551 141 HB1 ALA 17 1HB ALA 17 20.120 -6.673 0.949 142 HB2 ALA 17 2HB ALA 17 20.537 -8.306 1.466 143 HB3 ALA 17 3HB ALA 17 19.661 -7.231 2.556 144 H GLN 18 H GLN 18 18.119 -6.077 -0.567 145 HA GLN 18 HA GLN 18 16.532 -4.391 0.986 146 HB2 GLN 18 2HB GLN 18 17.748 -3.660 -1.007 147 HB3 GLN 18 1HB GLN 18 16.685 -4.626 -2.021 148 HG2 GLN 18 2HG GLN 18 14.799 -3.234 -1.420 149 HG3 GLN 18 1HG GLN 18 15.812 -2.299 -0.320 150 HE21 GLN 18 1HE2 GLN 18 14.283 -1.442 -2.681 151 HE22 GLN 18 2HE2 GLN 18 15.428 -0.691 -3.733 152 H ALA 19 H ALA 19 15.546 -6.713 -1.534 153 HA ALA 19 HA ALA 19 12.776 -6.260 -1.327 154 HB1 ALA 19 1HB ALA 19 13.832 -7.438 -3.206 155 HB2 ALA 19 2HB ALA 19 12.507 -8.363 -2.502 156 HB3 ALA 19 3HB ALA 19 14.176 -8.803 -2.144 157 H THR 20 H THR 20 14.915 -8.511 0.359 158 HA THR 20 HA THR 20 12.904 -9.921 1.755 159 HB THR 20 HB THR 20 15.793 -9.480 2.546 160 HG1 THR 20 1HG THR 20 15.907 -10.525 0.643 161 HG21 THR 20 1HG2 THR 20 13.830 -11.627 3.373 162 HG22 THR 20 2HG2 THR 20 14.439 -10.330 4.403 163 HG23 THR 20 3HG2 THR 20 15.540 -11.572 3.805 164 H ALA 21 H ALA 21 14.660 -6.955 2.455 165 HA ALA 21 HA ALA 21 13.844 -6.592 5.113 166 HB1 ALA 21 1HB ALA 21 14.362 -4.222 4.766 167 HB2 ALA 21 2HB ALA 21 14.432 -4.496 3.024 168 HB3 ALA 21 3HB ALA 21 15.609 -5.265 4.085 169 H LEU 22 H LEU 22 12.434 -5.288 2.105 170 HA LEU 22 HA LEU 22 10.213 -4.088 3.354 171 HG LEU 22 HG LEU 22 10.401 -2.462 0.069 172 HB2 LEU 22 2HB LEU 22 10.840 -4.865 0.536 173 HB3 LEU 22 1HB LEU 22 9.217 -4.344 0.944 174 HD11 LEU 22 1HD1 LEU 22 10.199 -2.254 3.066 175 HD12 LEU 22 2HD1 LEU 22 8.905 -1.977 1.900 176 HD13 LEU 22 3HD1 LEU 22 10.295 -0.893 1.947 177 HD21 LEU 22 1HD2 LEU 22 12.683 -3.255 0.435 178 HD22 LEU 22 2HD2 LEU 22 12.512 -2.957 2.165 179 HD23 LEU 22 3HD2 LEU 22 12.467 -1.608 1.029 180 H LYS 23 H LYS 23 10.753 -7.325 2.125 181 HA LYS 23 HA LYS 23 8.130 -8.267 2.075 182 HB2 LYS 23 2HB LYS 23 10.095 -9.506 1.210 183 HB3 LYS 23 1HB LYS 23 10.610 -9.810 2.865 184 HG2 LYS 23 2HG LYS 23 8.542 -11.068 3.265 185 HG3 LYS 23 1HG LYS 23 8.054 -10.782 1.594 186 HD2 LYS 23 2HD LYS 23 9.007 -12.985 1.761 187 HD3 LYS 23 1HD LYS 23 10.112 -11.955 0.850 188 HE2 LYS 23 2HE LYS 23 11.468 -11.631 2.859 189 HE3 LYS 23 1HE LYS 23 10.362 -12.657 3.772 190 HZ1 LYS 23 1HZ LYS 23 12.040 -13.495 1.468 191 HZ2 LYS 23 2HZ LYS 23 10.922 -14.491 2.266 192 HZ3 LYS 23 3HZ LYS 23 12.284 -13.913 3.094 193 H MET 24 H MET 24 10.438 -8.092 4.749 194 HA MET 24 HA MET 24 8.651 -9.290 6.649 195 HB2 MET 24 2HB MET 24 11.207 -7.723 7.026 196 HB3 MET 24 1HB MET 24 10.345 -8.537 8.320 197 HG2 MET 24 2HG MET 24 11.400 -9.974 5.901 198 HG3 MET 24 1HG MET 24 12.344 -9.732 7.366 199 HE1 MET 24 1HE MET 24 9.562 -11.744 5.596 200 HE2 MET 24 2HE MET 24 8.535 -10.766 6.646 201 HE3 MET 24 3HE MET 24 8.676 -12.502 6.920 202 H ASP 25 H ASP 25 9.738 -6.015 5.914 203 HA ASP 25 HA ASP 25 8.532 -4.659 8.033 204 HB2 ASP 25 2HB ASP 25 10.261 -3.818 6.340 205 HB3 ASP 25 1HB ASP 25 8.907 -3.519 5.259 206 H LEU 26 H LEU 26 7.312 -5.308 4.757 207 HA LEU 26 HA LEU 26 4.885 -3.896 5.065 208 HG LEU 26 HG LEU 26 3.130 -5.746 3.275 209 HB2 LEU 26 2HB LEU 26 5.814 -4.419 2.876 210 HB3 LEU 26 1HB LEU 26 5.600 -6.134 3.170 211 HD11 LEU 26 1HD1 LEU 26 2.260 -3.655 2.324 212 HD12 LEU 26 2HD1 LEU 26 3.895 -2.995 2.305 213 HD13 LEU 26 3HD1 LEU 26 3.119 -3.386 3.841 214 HD21 LEU 26 1HD2 LEU 26 2.851 -5.547 0.867 215 HD22 LEU 26 2HD2 LEU 26 4.234 -6.572 1.254 216 HD23 LEU 26 3HD2 LEU 26 4.487 -4.911 0.719 217 H HIS 27 H HIS 27 5.628 -7.372 5.351 218 HA HIS 27 HA HIS 27 2.948 -8.189 5.663 219 HD1 HIS 27 1HD HIS 27 4.201 -11.084 8.448 220 HD2 HIS 27 2HD HIS 27 2.395 -11.140 4.694 221 HE1 HIS 27 1HE HIS 27 2.491 -12.930 8.537 222 HE2 HIS 27 2HE HIS 27 1.411 -12.962 6.259 223 HB2 HIS 27 2HB HIS 27 4.849 -9.709 5.060 224 HB3 HIS 27 1HB HIS 27 5.395 -9.614 6.731 225 H ASP 28 H ASP 28 5.398 -7.198 8.007 226 HA ASP 28 HA ASP 28 3.893 -7.986 10.295 227 HB2 ASP 28 2HB ASP 28 6.355 -7.667 10.312 228 HB3 ASP 28 1HB ASP 28 6.108 -5.934 10.119 229 H LEU 29 H LEU 29 4.079 -5.089 8.366 230 HA LEU 29 HA LEU 29 2.612 -3.420 10.168 231 HG LEU 29 HG LEU 29 1.337 -1.594 8.010 232 HB2 LEU 29 2HB LEU 29 4.171 -2.522 8.479 233 HB3 LEU 29 1HB LEU 29 3.130 -3.121 7.203 234 HD11 LEU 29 1HD1 LEU 29 1.911 0.195 9.556 235 HD12 LEU 29 2HD1 LEU 29 3.516 -0.499 9.780 236 HD13 LEU 29 3HD1 LEU 29 2.092 -1.382 10.327 237 HD21 LEU 29 1HD2 LEU 29 2.766 -0.957 6.153 238 HD22 LEU 29 2HD2 LEU 29 3.960 -0.302 7.274 239 HD23 LEU 29 3HD2 LEU 29 2.372 0.453 7.138 240 H ALA 30 H ALA 30 1.841 -5.424 7.366 241 HA ALA 30 HA ALA 30 -0.904 -4.652 7.235 242 HB1 ALA 30 1HB ALA 30 -1.157 -6.529 5.700 243 HB2 ALA 30 2HB ALA 30 0.449 -7.116 6.139 244 HB3 ALA 30 3HB ALA 30 0.268 -5.570 5.310 245 H GLU 31 H GLU 31 0.877 -7.021 9.045 246 HA GLU 31 HA GLU 31 -1.315 -8.637 9.842 247 HB2 GLU 31 2HB GLU 31 1.507 -8.424 10.441 248 HB3 GLU 31 1HB GLU 31 0.576 -8.706 11.906 249 HG2 GLU 31 2HG GLU 31 0.551 -10.397 9.416 250 HG3 GLU 31 1HG GLU 31 1.311 -10.799 10.955 251 H ASP 32 H ASP 32 0.321 -5.867 11.338 252 HA ASP 32 HA ASP 32 -1.946 -5.652 13.201 253 HB2 ASP 32 2HB ASP 32 0.223 -6.029 14.315 254 HB3 ASP 32 1HB ASP 32 0.862 -4.576 13.554 255 H LEU 33 H LEU 33 -3.191 -4.564 11.705 256 HA LEU 33 HA LEU 33 -2.233 -2.061 10.621 257 HG LEU 33 HG LEU 33 -2.520 -3.769 8.569 258 HB2 LEU 33 2HB LEU 33 -4.487 -3.874 10.044 259 HB3 LEU 33 1HB LEU 33 -4.784 -2.165 9.767 260 HD11 LEU 33 1HD1 LEU 33 -4.999 -2.625 7.294 261 HD12 LEU 33 2HD1 LEU 33 -4.676 -4.334 7.586 262 HD13 LEU 33 3HD1 LEU 33 -3.677 -3.430 6.449 263 HD21 LEU 33 1HD2 LEU 33 -3.320 -0.883 8.166 264 HD22 LEU 33 2HD2 LEU 33 -2.082 -1.741 7.249 265 HD23 LEU 33 3HD2 LEU 33 -1.862 -1.455 8.977 266 HA PRO 34 HA PRO 34 -3.300 1.528 11.621 267 HB2 PRO 34 2HB PRO 34 -5.731 0.893 13.275 268 HB3 PRO 34 1HB PRO 34 -5.264 2.428 12.524 269 HG2 PRO 34 2HG PRO 34 -6.891 0.492 11.332 270 HG3 PRO 34 1HG PRO 34 -6.038 1.786 10.471 271 HD2 PRO 34 2HD PRO 34 -5.566 -0.980 10.190 272 HD3 PRO 34 1HD PRO 34 -4.485 0.321 9.638 273 H THR 35 H THR 35 -1.752 1.882 12.714 274 HA THR 35 HA THR 35 -1.443 2.218 15.406 275 HB THR 35 HB THR 35 -0.389 -0.470 14.482 276 HG1 THR 35 1HG THR 35 -2.416 -0.435 15.574 277 HG21 THR 35 1HG2 THR 35 0.954 -0.575 16.533 278 HG22 THR 35 2HG2 THR 35 0.532 1.101 16.887 279 HG23 THR 35 3HG2 THR 35 1.494 0.718 15.460 280 H GLY 36 H GLY 36 0.123 1.074 12.465 281 HA2 GLY 36 2HA GLY 36 1.741 3.544 12.469 282 HA3 GLY 36 1HA GLY 36 2.425 2.002 11.958 283 H TRP 37 H TRP 37 -0.843 3.043 11.334 284 HA TRP 37 HA TRP 37 -0.816 2.295 8.642 285 HD1 TRP 37 HD TRP 37 -2.675 3.112 12.354 286 HE1 TRP 37 1HE TRP 37 -3.491 5.265 13.490 287 HE3 TRP 37 3HE TRP 37 -3.398 5.993 8.190 288 HZ2 TRP 37 2HZ TRP 37 -4.327 7.849 12.724 289 HZ3 TRP 37 3HZ TRP 37 -4.209 8.302 8.482 290 HH2 TRP 37 HH TRP 37 -4.663 9.208 10.706 291 HB2 TRP 37 2HB TRP 37 -3.025 3.515 8.558 292 HB3 TRP 37 1HB TRP 37 -2.890 2.268 9.790 293 H ASN 38 H ASN 38 0.041 5.331 10.137 294 HA ASN 38 HA ASN 38 -0.348 6.941 7.829 295 HB2 ASN 38 2HB ASN 38 -0.124 7.932 10.058 296 HB3 ASN 38 1HB ASN 38 1.538 7.359 10.158 297 HD21 ASN 38 1HD2 ASN 38 3.136 8.497 9.178 298 HD22 ASN 38 2HD2 ASN 38 2.891 9.998 8.359 299 H ARG 39 H ARG 39 2.024 4.641 8.697 300 HA ARG 39 HA ARG 39 3.942 5.633 6.718 301 HE ARG 39 HE ARG 39 8.696 3.606 7.675 302 HB2 ARG 39 2HB ARG 39 4.691 4.928 8.996 303 HB3 ARG 39 1HB ARG 39 4.163 3.295 8.625 304 HG2 ARG 39 2HG ARG 39 5.780 3.249 6.748 305 HG3 ARG 39 1HG ARG 39 6.361 4.833 7.265 306 HD2 ARG 39 2HD ARG 39 7.031 3.924 9.409 307 HD3 ARG 39 1HD ARG 39 6.360 2.349 8.977 308 HH11 ARG 39 1HH1 ARG 39 6.943 0.766 8.762 309 HH12 ARG 39 2HH1 ARG 39 8.067 -0.357 8.046 310 HH21 ARG 39 1HH2 ARG 39 10.180 2.127 6.765 311 HH22 ARG 39 2HH2 ARG 39 9.892 0.416 6.906 312 H ILE 40 H ILE 40 1.222 3.930 6.534 313 HA ILE 40 HA ILE 40 1.919 1.406 5.522 314 HB ILE 40 HB ILE 40 -0.355 2.168 6.377 315 HG12 ILE 40 2HG1 ILE 40 -0.283 0.604 3.792 316 HG13 ILE 40 1HG1 ILE 40 0.070 -0.053 5.385 317 HG21 ILE 40 1HG2 ILE 40 -1.963 2.950 4.698 318 HG22 ILE 40 2HG2 ILE 40 -0.649 3.112 3.532 319 HG23 ILE 40 3HG2 ILE 40 -0.672 4.118 4.981 320 HD11 ILE 40 1HD1 ILE 40 -2.209 0.380 6.088 321 HD12 ILE 40 2HD1 ILE 40 -2.181 -0.613 4.630 322 HD13 ILE 40 3HD1 ILE 40 -2.568 1.105 4.521 323 H MET 41 H MET 41 1.388 4.476 3.853 324 HA MET 41 HA MET 41 1.365 3.310 1.253 325 HB2 MET 41 2HB MET 41 1.802 6.178 2.091 326 HB3 MET 41 1HB MET 41 1.584 5.642 0.430 327 HG2 MET 41 2HG MET 41 -0.637 4.729 1.102 328 HG3 MET 41 1HG MET 41 -0.409 5.496 2.672 329 HE1 MET 41 1HE MET 41 -0.827 7.758 -1.329 330 HE2 MET 41 2HE MET 41 -1.039 6.017 -1.150 331 HE3 MET 41 3HE MET 41 0.559 6.737 -0.944 332 H GLU 42 H GLU 42 3.841 4.812 3.250 333 HA GLU 42 HA GLU 42 5.887 5.009 1.348 334 HB2 GLU 42 2HB GLU 42 5.949 5.945 3.677 335 HB3 GLU 42 1HB GLU 42 6.212 4.316 4.279 336 HG2 GLU 42 2HG GLU 42 8.229 4.281 2.691 337 HG3 GLU 42 1HG GLU 42 8.044 6.033 2.656 338 H VAL 43 H VAL 43 5.206 2.422 3.673 339 HA VAL 43 HA VAL 43 7.198 0.653 2.838 340 HB VAL 43 HB VAL 43 4.503 -0.109 3.969 341 HG11 VAL 43 1HG1 VAL 43 5.687 -2.071 4.829 342 HG12 VAL 43 2HG1 VAL 43 7.162 -1.534 4.026 343 HG13 VAL 43 3HG1 VAL 43 5.755 -1.996 3.069 344 HG21 VAL 43 1HG2 VAL 43 5.589 0.002 6.165 345 HG22 VAL 43 2HG2 VAL 43 5.565 1.575 5.367 346 HG23 VAL 43 3HG2 VAL 43 7.053 0.628 5.403 347 H ALA 44 H ALA 44 3.808 0.934 1.794 348 HA ALA 44 HA ALA 44 3.795 -1.221 0.001 349 HB1 ALA 44 1HB ALA 44 1.772 -0.092 0.777 350 HB2 ALA 44 2HB ALA 44 1.836 -0.169 -0.984 351 HB3 ALA 44 3HB ALA 44 2.215 1.340 -0.151 352 H GLU 45 H GLU 45 4.474 2.227 -0.550 353 HA GLU 45 HA GLU 45 4.974 2.121 -3.280 354 HB2 GLU 45 2HB GLU 45 5.925 3.916 -1.071 355 HB3 GLU 45 1HB GLU 45 6.463 4.158 -2.717 356 HG2 GLU 45 2HG GLU 45 4.041 4.275 -3.381 357 HG3 GLU 45 1HG GLU 45 3.663 4.305 -1.659 358 H LYS 46 H LYS 46 7.283 1.861 -0.574 359 HA LYS 46 HA LYS 46 9.565 1.480 -2.184 360 HB2 LYS 46 2HB LYS 46 8.984 0.714 0.670 361 HB3 LYS 46 1HB LYS 46 10.555 0.479 -0.084 362 HG2 LYS 46 2HG LYS 46 10.785 2.854 -0.438 363 HG3 LYS 46 1HG LYS 46 9.162 3.132 0.204 364 HD2 LYS 46 2HD LYS 46 9.859 2.228 2.351 365 HD3 LYS 46 1HD LYS 46 11.477 1.938 1.718 366 HE2 LYS 46 2HE LYS 46 11.804 4.315 1.383 367 HE3 LYS 46 1HE LYS 46 10.153 4.642 1.910 368 HZ1 LYS 46 1HZ LYS 46 12.286 3.434 3.592 369 HZ2 LYS 46 2HZ LYS 46 10.703 3.788 4.092 370 HZ3 LYS 46 3HZ LYS 46 11.761 5.046 3.680 371 H THR 47 H THR 47 7.380 -0.865 -0.634 372 HA THR 47 HA THR 47 8.814 -3.169 -1.347 373 HB THR 47 HB THR 47 5.825 -2.913 -0.953 374 HG1 THR 47 1HG THR 47 6.825 -2.243 0.912 375 HG21 THR 47 1HG2 THR 47 6.446 -5.019 -2.023 376 HG22 THR 47 2HG2 THR 47 5.936 -5.295 -0.357 377 HG23 THR 47 3HG2 THR 47 7.651 -5.314 -0.771 378 H TYR 48 H TYR 48 6.169 -1.478 -3.005 379 HA TYR 48 HA TYR 48 5.944 -3.234 -5.177 380 HD1 TYR 48 2HD TYR 48 4.515 -3.268 -7.051 381 HD2 TYR 48 1HD TYR 48 5.045 0.948 -6.890 382 HE1 TYR 48 2HE TYR 48 4.051 -3.124 -9.458 383 HE2 TYR 48 1HE TYR 48 4.587 1.103 -9.301 384 HH TYR 48 HH TYR 48 3.296 -1.525 -11.091 385 HB2 TYR 48 2HB TYR 48 4.217 -1.596 -4.815 386 HB3 TYR 48 1HB TYR 48 5.369 -0.273 -4.966 387 H GLU 49 H GLU 49 7.789 -0.214 -4.843 388 HA GLU 49 HA GLU 49 8.950 -0.290 -7.403 389 HB2 GLU 49 2HB GLU 49 9.506 1.168 -4.851 390 HB3 GLU 49 1HB GLU 49 10.653 1.285 -6.170 391 HG2 GLU 49 2HG GLU 49 7.738 2.022 -6.268 392 HG3 GLU 49 1HG GLU 49 9.099 3.142 -6.214 393 H ALA 50 H ALA 50 9.986 -1.669 -4.325 394 HA ALA 50 HA ALA 50 12.597 -2.374 -5.183 395 HB1 ALA 50 1HB ALA 50 11.968 -2.316 -2.814 396 HB2 ALA 50 2HB ALA 50 12.637 -3.881 -3.272 397 HB3 ALA 50 3HB ALA 50 10.896 -3.695 -3.071 398 H TYR 51 H TYR 51 9.571 -4.242 -5.007 399 HA TYR 51 HA TYR 51 10.660 -6.597 -6.112 400 HD1 TYR 51 1HD TYR 51 10.599 -6.527 -4.093 401 HD2 TYR 51 2HD TYR 51 6.491 -7.546 -4.537 402 HE1 TYR 51 1HE TYR 51 10.595 -7.472 -1.825 403 HE2 TYR 51 2HE TYR 51 6.478 -8.496 -2.270 404 HH TYR 51 HH TYR 51 8.955 -7.965 -0.039 405 HB2 TYR 51 2HB TYR 51 7.828 -5.581 -5.894 406 HB3 TYR 51 1HB TYR 51 8.226 -7.160 -6.554 407 H ARG 52 H ARG 52 9.075 -3.790 -7.555 408 HA ARG 52 HA ARG 52 8.912 -4.868 -10.171 409 HE ARG 52 HE ARG 52 8.123 0.757 -10.191 410 HB2 ARG 52 2HB ARG 52 8.251 -2.726 -10.877 411 HB3 ARG 52 1HB ARG 52 7.697 -2.804 -9.218 412 HG2 ARG 52 2HG ARG 52 8.748 -0.901 -8.847 413 HG3 ARG 52 1HG ARG 52 10.280 -1.736 -9.112 414 HD2 ARG 52 2HD ARG 52 10.503 -0.157 -10.719 415 HD3 ARG 52 1HD ARG 52 9.574 -1.328 -11.655 416 HH11 ARG 52 1HH1 ARG 52 9.189 -0.589 -13.259 417 HH12 ARG 52 2HH1 ARG 52 8.198 0.472 -14.207 418 HH21 ARG 52 1HH2 ARG 52 6.814 2.138 -11.454 419 HH22 ARG 52 2HH2 ARG 52 6.843 2.008 -13.191 420 H GLN 53 H GLN 53 11.401 -3.057 -8.442 421 HA GLN 53 HA GLN 53 13.079 -2.642 -10.710 422 HB2 GLN 53 2HB GLN 53 13.167 -1.232 -8.685 423 HB3 GLN 53 1HB GLN 53 13.764 -2.602 -7.762 424 HG2 GLN 53 2HG GLN 53 15.786 -2.654 -9.081 425 HG3 GLN 53 1HG GLN 53 15.183 -1.350 -10.101 426 HE21 GLN 53 1HE2 GLN 53 17.591 -1.496 -8.448 427 HE22 GLN 53 2HE2 GLN 53 17.497 -0.159 -7.353 428 H LEU 54 H LEU 54 12.867 -5.122 -8.201 429 HA LEU 54 HA LEU 54 15.130 -6.617 -8.856 430 HG LEU 54 HG LEU 54 15.378 -8.116 -7.020 431 HB2 LEU 54 2HB LEU 54 12.576 -7.120 -7.507 432 HB3 LEU 54 1HB LEU 54 13.248 -8.537 -8.284 433 HD11 LEU 54 1HD1 LEU 54 15.244 -6.711 -5.025 434 HD12 LEU 54 2HD1 LEU 54 13.648 -6.153 -5.529 435 HD13 LEU 54 3HD1 LEU 54 15.068 -5.771 -6.505 436 HD21 LEU 54 1HD2 LEU 54 14.521 -9.052 -4.938 437 HD22 LEU 54 2HD2 LEU 54 13.772 -9.812 -6.343 438 HD23 LEU 54 3HD2 LEU 54 12.880 -8.610 -5.410 439 H ASP 55 H ASP 55 11.833 -6.832 -10.149 440 HA ASP 55 HA ASP 55 12.372 -8.886 -12.010 441 HB2 ASP 55 2HB ASP 55 10.093 -8.252 -11.226 442 HB3 ASP 55 1HB ASP 55 10.218 -6.761 -12.152 443 H GLU 56 H GLU 56 12.324 -5.353 -12.296 444 HA GLU 56 HA GLU 56 12.908 -5.077 -14.995 445 HB2 GLU 56 2HB GLU 56 13.737 -3.424 -12.611 446 HB3 GLU 56 1HB GLU 56 14.095 -2.941 -14.258 447 HG2 GLU 56 2HG GLU 56 11.322 -3.439 -13.211 448 HG3 GLU 56 1HG GLU 56 12.094 -1.856 -13.271 449 H PHE 57 H PHE 57 15.201 -5.239 -12.286 450 HA PHE 57 HA PHE 57 17.559 -5.207 -13.756 451 HD1 PHE 57 1HD PHE 57 19.892 -4.744 -12.419 452 HD2 PHE 57 2HD PHE 57 18.347 -8.386 -10.850 453 HE1 PHE 57 1HE PHE 57 22.177 -5.642 -12.258 454 HE2 PHE 57 2HE PHE 57 20.631 -9.285 -10.676 455 HZ PHE 57 HZ PHE 57 22.550 -7.912 -11.385 456 HB2 PHE 57 2HB PHE 57 17.574 -4.953 -11.347 457 HB3 PHE 57 1HB PHE 57 16.923 -6.572 -11.135 458 H ARG 58 H ARG 58 15.494 -7.918 -12.835 459 HA ARG 58 HA ARG 58 17.207 -9.938 -13.816 460 HE ARG 58 HE ARG 58 18.165 -10.854 -12.629 461 HB2 ARG 58 2HB ARG 58 14.306 -9.813 -13.063 462 HB3 ARG 58 1HB ARG 58 14.976 -11.261 -13.783 463 HG2 ARG 58 2HG ARG 58 16.230 -10.033 -11.361 464 HG3 ARG 58 1HG ARG 58 14.828 -11.091 -11.223 465 HD2 ARG 58 2HD ARG 58 16.842 -12.378 -10.904 466 HD3 ARG 58 1HD ARG 58 16.076 -12.851 -12.417 467 HH11 ARG 58 1HH1 ARG 58 17.372 -14.268 -12.756 468 HH12 ARG 58 2HH1 ARG 58 18.754 -14.675 -13.738 469 HH21 ARG 58 1HH2 ARG 58 19.977 -11.394 -13.904 470 HH22 ARG 58 2HH2 ARG 58 20.221 -13.030 -14.426 471 H LYS 59 H LYS 59 14.478 -8.180 -15.247 472 HA LYS 59 HA LYS 59 14.387 -9.868 -17.565 473 HB2 LYS 59 2HB LYS 59 12.454 -8.570 -16.550 474 HB3 LYS 59 1HB LYS 59 13.164 -7.121 -17.242 475 HG2 LYS 59 2HG LYS 59 12.525 -9.470 -18.976 476 HG3 LYS 59 1HG LYS 59 11.260 -8.344 -18.490 477 HD2 LYS 59 2HD LYS 59 12.560 -6.494 -19.457 478 HD3 LYS 59 1HD LYS 59 13.796 -7.645 -19.966 479 HE2 LYS 59 2HE LYS 59 12.184 -8.777 -21.392 480 HE3 LYS 59 1HE LYS 59 10.913 -7.681 -20.850 481 HZ1 LYS 59 1HZ LYS 59 13.360 -6.884 -22.337 482 HZ2 LYS 59 2HZ LYS 59 12.126 -5.838 -21.825 483 HZ3 LYS 59 3HZ LYS 59 11.802 -7.021 -22.998 484 H SER 60 H SER 60 15.725 -6.661 -16.857 485 HA SER 60 HA SER 60 16.495 -6.076 -19.508 486 HG SER 60 HG SER 60 15.311 -4.623 -18.067 487 HB2 SER 60 2HB SER 60 17.685 -5.075 -16.912 488 HB3 SER 60 1HB SER 60 17.942 -4.353 -18.501 489 H THR 61 H THR 61 18.116 -7.737 -16.870 490 HA THR 61 HA THR 61 20.574 -7.931 -18.377 491 HB THR 61 HB THR 61 20.339 -7.644 -15.799 492 HG1 THR 61 1HG THR 61 22.308 -8.111 -17.107 493 HG21 THR 61 1HG2 THR 61 20.480 -9.779 -14.573 494 HG22 THR 61 2HG2 THR 61 20.097 -10.639 -16.065 495 HG23 THR 61 3HG2 THR 61 18.915 -9.544 -15.348 496 H ALA 62 H ALA 62 17.724 -9.818 -17.922 497 HA ALA 62 HA ALA 62 18.701 -12.407 -18.367 498 HB1 ALA 62 1HB ALA 62 16.446 -12.973 -19.092 499 HB2 ALA 62 2HB ALA 62 16.052 -11.261 -19.247 500 HB3 ALA 62 3HB ALA 62 16.398 -11.945 -17.658 501 H SER 63 H SER 63 17.653 -9.912 -20.635 502 HA SER 63 HA SER 63 18.164 -11.389 -22.987 503 HG SER 63 HG SER 63 16.089 -10.172 -23.243 504 HB2 SER 63 2HB SER 63 18.206 -8.390 -22.598 505 HB3 SER 63 1HB SER 63 18.023 -9.242 -24.132 506 H LEU 64 H LEU 64 20.243 -9.581 -20.844 507 HA LEU 64 HA LEU 64 22.447 -9.409 -22.667 508 HG LEU 64 HG LEU 64 24.241 -7.400 -20.116 509 HB2 LEU 64 2HB LEU 64 22.020 -7.880 -20.690 510 HB3 LEU 64 1HB LEU 64 22.513 -9.202 -19.655 511 HD11 LEU 64 1HD1 LEU 64 26.091 -8.975 -20.274 512 HD12 LEU 64 2HD1 LEU 64 24.975 -10.239 -20.788 513 HD13 LEU 64 3HD1 LEU 64 24.846 -9.555 -19.168 514 HD21 LEU 64 1HD2 LEU 64 25.494 -7.588 -22.208 515 HD22 LEU 64 2HD2 LEU 64 23.818 -7.113 -22.488 516 HD23 LEU 64 3HD2 LEU 64 24.328 -8.773 -22.792 517 H GLU 65 H GLU 65 21.561 -11.475 -19.942 518 HA GLU 65 HA GLU 65 23.755 -13.232 -20.137 519 HB2 GLU 65 2HB GLU 65 21.002 -13.505 -18.952 520 HB3 GLU 65 1HB GLU 65 22.207 -14.762 -18.844 521 HG2 GLU 65 2HG GLU 65 23.697 -13.112 -17.692 522 HG3 GLU 65 1HG GLU 65 22.306 -12.024 -17.638 523 H HIS 66 H HIS 66 21.079 -12.752 -22.056 524 HA HIS 66 HA HIS 66 20.061 -13.818 -23.770 525 HD1 HIS 66 1HD HIS 66 21.242 -13.395 -26.523 526 HD2 HIS 66 2HD HIS 66 21.038 -17.453 -25.617 527 HE1 HIS 66 1HE HIS 66 20.369 -14.515 -28.600 528 HE2 HIS 66 2HE HIS 66 20.400 -16.985 -28.083 529 HB2 HIS 66 2HB HIS 66 22.556 -14.118 -24.384 530 HB3 HIS 66 1HB HIS 66 22.348 -15.771 -23.830 531 H HIS 67 H HIS 67 19.510 -14.534 -21.081 532 HA HIS 67 HA HIS 67 18.942 -17.410 -21.185 533 HD1 HIS 67 1HD HIS 67 18.993 -19.084 -18.475 534 HD2 HIS 67 2HD HIS 67 21.824 -16.054 -18.822 535 HE1 HIS 67 1HE HIS 67 21.155 -20.075 -17.661 536 HE2 HIS 67 2HE HIS 67 22.801 -18.171 -17.693 537 HB2 HIS 67 2HB HIS 67 19.118 -15.383 -19.007 538 HB3 HIS 67 1HB HIS 67 17.994 -16.715 -18.783 539 H HIS 68 H HIS 68 16.842 -18.205 -20.926 540 HA HIS 68 HA HIS 68 14.715 -16.300 -21.560 541 HD1 HIS 68 1HD HIS 68 15.002 -20.314 -23.950 542 HD2 HIS 68 2HD HIS 68 14.841 -16.154 -23.937 543 HE1 HIS 68 1HE HIS 68 15.598 -19.600 -26.291 544 HE2 HIS 68 2HE HIS 68 15.315 -17.092 -26.299 545 HB2 HIS 68 2HB HIS 68 14.771 -19.325 -21.626 546 HB3 HIS 68 1HB HIS 68 13.330 -18.362 -21.945 547 H HIS 69 H HIS 69 12.707 -16.414 -20.354 548 HA HIS 69 HA HIS 69 13.229 -17.069 -17.549 549 HD1 HIS 69 1HD HIS 69 9.095 -15.605 -18.755 550 HD2 HIS 69 2HD HIS 69 12.496 -13.672 -20.170 551 HE1 HIS 69 1HE HIS 69 8.337 -14.249 -20.737 552 HE2 HIS 69 2HE HIS 69 10.377 -12.951 -21.462 553 HB2 HIS 69 2HB HIS 69 11.092 -15.697 -17.148 554 HB3 HIS 69 1HB HIS 69 12.551 -14.833 -17.606 555 H HIS 70 H HIS 70 12.521 -18.872 -16.815 556 HA HIS 70 HA HIS 70 10.111 -20.091 -17.995 557 HD1 HIS 70 1HD HIS 70 9.790 -22.820 -19.177 558 HD2 HIS 70 2HD HIS 70 12.091 -23.595 -15.799 559 HE1 HIS 70 1HE HIS 70 9.073 -25.093 -18.372 560 HE2 HIS 70 2HE HIS 70 10.524 -25.575 -16.362 561 HB2 HIS 70 2HB HIS 70 12.002 -21.309 -18.848 562 HB3 HIS 70 1HB HIS 70 12.741 -21.393 -17.255 563 H HIS 71 H HIS 71 8.601 -19.976 -16.485 564 HA HIS 71 HA HIS 71 9.372 -20.394 -13.678 565 HD1 HIS 71 1HD HIS 71 8.898 -18.208 -11.665 566 HD2 HIS 71 2HD HIS 71 5.198 -19.816 -12.697 567 HE1 HIS 71 1HE HIS 71 7.582 -18.321 -9.524 568 HE2 HIS 71 2HE HIS 71 5.355 -19.316 -10.160 569 HB2 HIS 71 2HB HIS 71 8.347 -18.180 -14.232 570 HB3 HIS 71 1HB HIS 71 6.891 -19.023 -14.746 571 HA MET 1 HA MET 1 -26.052 21.117 -2.364 572 H1 MET 1 1H MET 1 -24.734 18.599 -1.539 573 H2 MET 1 2H MET 1 -24.403 20.147 -0.933 574 H3 MET 1 3H MET 1 -24.053 19.770 -2.546 575 HB2 MET 1 2HB MET 1 -25.885 19.647 -4.257 576 HB3 MET 1 1HB MET 1 -26.391 18.266 -3.292 577 HG2 MET 1 2HG MET 1 -28.597 19.362 -2.990 578 HG3 MET 1 1HG MET 1 -28.074 20.623 -4.108 579 HE1 MET 1 1HE MET 1 -30.285 20.084 -5.519 580 HE2 MET 1 2HE MET 1 -30.702 18.785 -4.402 581 HE3 MET 1 3HE MET 1 -30.678 18.481 -6.139 582 H SER 2 H SER 2 -26.497 17.885 -0.888 583 HA SER 2 HA SER 2 -28.679 19.061 0.706 584 HG SER 2 HG SER 2 -29.613 16.044 1.774 585 HB2 SER 2 2HB SER 2 -29.260 17.092 -0.756 586 HB3 SER 2 1HB SER 2 -28.169 16.115 0.224 587 H GLU 3 H GLU 3 -28.820 18.350 2.954 588 HA GLU 3 HA GLU 3 -26.456 17.234 4.158 589 HB2 GLU 3 2HB GLU 3 -26.199 19.271 5.683 590 HB3 GLU 3 1HB GLU 3 -25.580 19.403 4.045 591 HG2 GLU 3 2HG GLU 3 -27.727 20.555 3.437 592 HG3 GLU 3 1HG GLU 3 -28.112 20.586 5.157 593 H GLY 4 H GLY 4 -27.275 15.828 5.488 594 HA2 GLY 4 2HA GLY 4 -29.029 16.592 7.611 595 HA3 GLY 4 1HA GLY 4 -29.837 15.597 6.404 596 H ALA 5 H ALA 5 -29.722 14.574 8.868 597 HA ALA 5 HA ALA 5 -27.349 13.231 9.579 598 HB1 ALA 5 1HB ALA 5 -29.131 13.736 11.173 599 HB2 ALA 5 2HB ALA 5 -28.721 12.021 11.184 600 HB3 ALA 5 3HB ALA 5 -30.186 12.576 10.366 601 H GLU 6 H GLU 6 -29.930 12.398 7.394 602 HA GLU 6 HA GLU 6 -29.435 9.588 7.353 603 HB2 GLU 6 2HB GLU 6 -30.730 11.306 5.235 604 HB3 GLU 6 1HB GLU 6 -30.845 9.557 5.371 605 HG2 GLU 6 2HG GLU 6 -31.985 9.833 7.525 606 HG3 GLU 6 1HG GLU 6 -31.931 11.580 7.309 607 H GLU 7 H GLU 7 -28.679 12.179 5.031 608 HA GLU 7 HA GLU 7 -27.051 10.711 3.332 609 HB2 GLU 7 2HB GLU 7 -26.855 13.634 4.076 610 HB3 GLU 7 1HB GLU 7 -26.102 12.883 2.689 611 HG2 GLU 7 2HG GLU 7 -27.933 13.736 1.680 612 HG3 GLU 7 1HG GLU 7 -28.577 12.167 2.156 613 H LEU 8 H LEU 8 -26.287 12.441 6.305 614 HA LEU 8 HA LEU 8 -23.517 12.145 6.282 615 HG LEU 8 HG LEU 8 -22.775 13.762 7.951 616 HB2 LEU 8 2HB LEU 8 -25.616 12.796 8.211 617 HB3 LEU 8 1HB LEU 8 -24.228 12.022 8.938 618 HD11 LEU 8 1HD1 LEU 8 -23.759 15.776 7.007 619 HD12 LEU 8 2HD1 LEU 8 -25.364 15.056 7.125 620 HD13 LEU 8 3HD1 LEU 8 -24.164 14.360 6.036 621 HD21 LEU 8 1HD2 LEU 8 -25.040 14.801 9.643 622 HD22 LEU 8 2HD2 LEU 8 -23.458 15.561 9.454 623 HD23 LEU 8 3HD2 LEU 8 -23.595 13.984 10.233 624 H LYS 9 H LYS 9 -26.037 10.069 7.693 625 HA LYS 9 HA LYS 9 -24.240 8.135 8.710 626 HB2 LYS 9 2HB LYS 9 -26.634 8.449 9.413 627 HB3 LYS 9 1HB LYS 9 -27.110 7.680 7.909 628 HG2 LYS 9 2HG LYS 9 -25.914 5.654 8.553 629 HG3 LYS 9 1HG LYS 9 -25.436 6.416 10.071 630 HD2 LYS 9 2HD LYS 9 -27.804 6.630 10.691 631 HD3 LYS 9 1HD LYS 9 -28.262 5.849 9.175 632 HE2 LYS 9 2HE LYS 9 -27.035 3.839 9.848 633 HE3 LYS 9 1HE LYS 9 -26.594 4.619 11.365 634 HZ1 LYS 9 1HZ LYS 9 -29.367 4.025 10.481 635 HZ2 LYS 9 2HZ LYS 9 -28.925 4.746 11.951 636 HZ3 LYS 9 3HZ LYS 9 -28.490 3.141 11.632 637 H ALA 10 H ALA 10 -26.084 8.365 5.713 638 HA ALA 10 HA ALA 10 -25.439 5.877 4.616 639 HB1 ALA 10 1HB ALA 10 -25.882 8.479 3.159 640 HB2 ALA 10 2HB ALA 10 -27.137 7.349 3.667 641 HB3 ALA 10 3HB ALA 10 -25.958 6.868 2.447 642 H LYS 11 H LYS 11 -23.723 8.973 4.392 643 HA LYS 11 HA LYS 11 -21.601 8.041 2.761 644 HB2 LYS 11 2HB LYS 11 -22.123 10.431 3.089 645 HB3 LYS 11 1HB LYS 11 -21.631 10.305 4.766 646 HG2 LYS 11 2HG LYS 11 -19.820 11.298 3.686 647 HG3 LYS 11 1HG LYS 11 -19.346 9.615 3.887 648 HD2 LYS 11 2HD LYS 11 -20.626 10.580 1.347 649 HD3 LYS 11 1HD LYS 11 -18.895 10.754 1.622 650 HE2 LYS 11 2HE LYS 11 -18.755 8.307 1.985 651 HE3 LYS 11 1HE LYS 11 -20.468 8.180 1.585 652 HZ1 LYS 11 1HZ LYS 11 -20.000 9.054 -0.610 653 HZ2 LYS 11 2HZ LYS 11 -19.038 7.687 -0.323 654 HZ3 LYS 11 3HZ LYS 11 -18.358 9.237 -0.228 655 H LEU 12 H LEU 12 -21.899 8.484 6.257 656 HA LEU 12 HA LEU 12 -19.368 7.585 7.019 657 HG LEU 12 HG LEU 12 -20.201 5.968 9.571 658 HB2 LEU 12 2HB LEU 12 -20.932 8.711 8.535 659 HB3 LEU 12 1HB LEU 12 -21.990 7.314 8.496 660 HD11 LEU 12 1HD1 LEU 12 -18.265 7.231 8.844 661 HD12 LEU 12 2HD1 LEU 12 -18.308 7.129 10.604 662 HD13 LEU 12 3HD1 LEU 12 -18.789 8.621 9.793 663 HD21 LEU 12 1HD2 LEU 12 -21.043 8.453 11.053 664 HD22 LEU 12 2HD2 LEU 12 -20.441 6.968 11.793 665 HD23 LEU 12 3HD2 LEU 12 -21.966 6.958 10.907 666 H LYS 13 H LYS 13 -22.363 5.781 6.511 667 HA LYS 13 HA LYS 13 -21.431 3.249 7.308 668 HB2 LYS 13 2HB LYS 13 -23.815 3.902 6.941 669 HB3 LYS 13 1HB LYS 13 -23.515 3.892 5.213 670 HG2 LYS 13 2HG LYS 13 -22.989 1.499 5.326 671 HG3 LYS 13 1HG LYS 13 -23.331 1.516 7.058 672 HD2 LYS 13 2HD LYS 13 -25.624 2.246 6.590 673 HD3 LYS 13 1HD LYS 13 -25.281 2.203 4.861 674 HE2 LYS 13 2HE LYS 13 -25.204 -0.147 6.748 675 HE3 LYS 13 1HE LYS 13 -26.477 0.198 5.576 676 HZ1 LYS 13 1HZ LYS 13 -23.675 -0.603 5.052 677 HZ2 LYS 13 2HZ LYS 13 -24.658 0.073 3.845 678 HZ3 LYS 13 3HZ LYS 13 -25.099 -1.389 4.580 679 H LYS 14 H LYS 14 -21.653 4.767 4.125 680 HA LYS 14 HA LYS 14 -20.584 2.708 2.580 681 HB2 LYS 14 2HB LYS 14 -21.720 4.735 1.694 682 HB3 LYS 14 1HB LYS 14 -20.312 5.688 2.136 683 HG2 LYS 14 2HG LYS 14 -20.235 5.230 -0.205 684 HG3 LYS 14 1HG LYS 14 -18.948 4.321 0.591 685 HD2 LYS 14 2HD LYS 14 -20.351 2.312 0.540 686 HD3 LYS 14 1HD LYS 14 -21.627 3.229 -0.265 687 HE2 LYS 14 2HE LYS 14 -18.856 2.725 -1.344 688 HE3 LYS 14 1HE LYS 14 -20.332 1.915 -1.864 689 HZ1 LYS 14 1HZ LYS 14 -19.766 3.658 -3.393 690 HZ2 LYS 14 2HZ LYS 14 -19.719 4.805 -2.145 691 HZ3 LYS 14 3HZ LYS 14 -21.187 4.081 -2.574 692 H LEU 15 H LEU 15 -18.984 5.405 4.221 693 HA LEU 15 HA LEU 15 -16.396 4.800 3.208 694 HG LEU 15 HG LEU 15 -14.782 6.171 5.551 695 HB2 LEU 15 2HB LEU 15 -17.164 7.044 3.923 696 HB3 LEU 15 1HB LEU 15 -17.194 6.479 5.581 697 HD11 LEU 15 1HD1 LEU 15 -13.452 6.920 3.632 698 HD12 LEU 15 2HD1 LEU 15 -14.937 7.194 2.719 699 HD13 LEU 15 3HD1 LEU 15 -14.494 5.561 3.213 700 HD21 LEU 15 1HD2 LEU 15 -15.617 8.873 4.506 701 HD22 LEU 15 2HD2 LEU 15 -14.136 8.519 5.395 702 HD23 LEU 15 3HD2 LEU 15 -15.703 8.346 6.186 703 H ASN 16 H ASN 16 -18.114 4.094 6.205 704 HA ASN 16 HA ASN 16 -16.039 2.909 7.660 705 HB2 ASN 16 2HB ASN 16 -18.265 3.476 8.594 706 HB3 ASN 16 1HB ASN 16 -18.985 2.183 7.648 707 HD21 ASN 16 1HD2 ASN 16 -18.908 2.668 10.536 708 HD22 ASN 16 2HD2 ASN 16 -18.239 1.240 11.238 709 H ALA 17 H ALA 17 -18.445 1.407 5.509 710 HA ALA 17 HA ALA 17 -17.439 -1.210 5.695 711 HB1 ALA 17 1HB ALA 17 -18.963 0.039 3.414 712 HB2 ALA 17 2HB ALA 17 -19.679 -0.677 4.858 713 HB3 ALA 17 3HB ALA 17 -18.778 -1.688 3.727 714 H GLN 18 H GLN 18 -16.645 1.461 3.556 715 HA GLN 18 HA GLN 18 -15.009 -0.023 1.775 716 HB2 GLN 18 2HB GLN 18 -15.919 2.090 1.076 717 HB3 GLN 18 1HB GLN 18 -15.136 2.927 2.408 718 HG2 GLN 18 2HG GLN 18 -12.969 2.551 1.446 719 HG3 GLN 18 1HG GLN 18 -13.668 1.540 0.181 720 HE21 GLN 18 1HE2 GLN 18 -13.334 4.789 1.387 721 HE22 GLN 18 2HE2 GLN 18 -13.830 5.596 -0.061 722 H ALA 19 H ALA 19 -14.232 2.067 4.556 723 HA ALA 19 HA ALA 19 -11.449 1.817 4.447 724 HB1 ALA 19 1HB ALA 19 -13.136 2.153 6.929 725 HB2 ALA 19 2HB ALA 19 -12.678 3.460 5.839 726 HB3 ALA 19 3HB ALA 19 -11.436 2.589 6.738 727 H THR 20 H THR 20 -13.856 -0.126 6.162 728 HA THR 20 HA THR 20 -12.012 -1.852 7.426 729 HB THR 20 HB THR 20 -14.894 -2.443 6.719 730 HG1 THR 20 1HG THR 20 -15.085 -0.666 7.937 731 HG21 THR 20 1HG2 THR 20 -13.678 -4.410 7.483 732 HG22 THR 20 2HG2 THR 20 -14.806 -3.875 8.730 733 HG23 THR 20 3HG2 THR 20 -13.085 -3.525 8.887 734 H ALA 21 H ALA 21 -13.622 -1.942 4.296 735 HA ALA 21 HA ALA 21 -13.123 -4.658 3.699 736 HB1 ALA 21 1HB ALA 21 -13.652 -4.055 1.384 737 HB2 ALA 21 2HB ALA 21 -13.577 -2.346 1.817 738 HB3 ALA 21 3HB ALA 21 -14.818 -3.381 2.521 739 H LEU 22 H LEU 22 -11.357 -1.688 2.856 740 HA LEU 22 HA LEU 22 -9.356 -3.101 1.380 741 HG LEU 22 HG LEU 22 -9.260 0.249 -0.089 742 HB2 LEU 22 2HB LEU 22 -9.647 -0.274 2.324 743 HB3 LEU 22 1HB LEU 22 -8.111 -0.829 1.689 744 HD11 LEU 22 1HD1 LEU 22 -9.537 -1.560 -1.719 745 HD12 LEU 22 2HD1 LEU 22 -9.518 -2.735 -0.405 746 HD13 LEU 22 3HD1 LEU 22 -8.087 -1.760 -0.738 747 HD21 LEU 22 1HD2 LEU 22 -11.494 -0.399 -0.834 748 HD22 LEU 22 2HD2 LEU 22 -11.512 0.202 0.824 749 HD23 LEU 22 3HD2 LEU 22 -11.617 -1.531 0.512 750 H LYS 23 H LYS 23 -9.759 -2.156 4.688 751 HA LYS 23 HA LYS 23 -7.126 -2.383 5.605 752 HB2 LYS 23 2HB LYS 23 -9.314 -1.628 6.806 753 HB3 LYS 23 1HB LYS 23 -9.488 -3.327 7.208 754 HG2 LYS 23 2HG LYS 23 -7.002 -1.789 7.875 755 HG3 LYS 23 1HG LYS 23 -8.411 -1.793 8.931 756 HD2 LYS 23 2HD LYS 23 -6.843 -4.219 8.058 757 HD3 LYS 23 1HD LYS 23 -6.759 -3.447 9.640 758 HE2 LYS 23 2HE LYS 23 -9.276 -3.887 9.781 759 HE3 LYS 23 1HE LYS 23 -9.036 -4.973 8.413 760 HZ1 LYS 23 1HZ LYS 23 -7.938 -5.194 11.150 761 HZ2 LYS 23 2HZ LYS 23 -7.245 -6.038 9.853 762 HZ3 LYS 23 3HZ LYS 23 -8.861 -6.326 10.285 763 H MET 24 H MET 24 -9.701 -4.847 5.418 764 HA MET 24 HA MET 24 -7.922 -6.976 6.157 765 HB2 MET 24 2HB MET 24 -10.336 -7.072 6.628 766 HB3 MET 24 1HB MET 24 -10.673 -7.093 4.904 767 HG2 MET 24 2HG MET 24 -10.838 -9.312 5.914 768 HG3 MET 24 1HG MET 24 -9.577 -9.236 4.682 769 HE1 MET 24 1HE MET 24 -8.617 -11.566 5.628 770 HE2 MET 24 2HE MET 24 -9.893 -11.571 6.845 771 HE3 MET 24 3HE MET 24 -8.217 -11.827 7.325 772 H ASP 25 H ASP 25 -8.893 -5.447 3.216 773 HA ASP 25 HA ASP 25 -8.355 -7.493 1.365 774 HB2 ASP 25 2HB ASP 25 -9.551 -5.259 0.974 775 HB3 ASP 25 1HB ASP 25 -7.946 -4.551 0.824 776 H LEU 26 H LEU 26 -6.315 -4.830 2.561 777 HA LEU 26 HA LEU 26 -4.005 -5.510 1.103 778 HG LEU 26 HG LEU 26 -1.879 -4.874 3.207 779 HB2 LEU 26 2HB LEU 26 -4.290 -3.344 2.224 780 HB3 LEU 26 1HB LEU 26 -4.208 -4.137 3.788 781 HD11 LEU 26 1HD1 LEU 26 -0.727 -3.726 1.391 782 HD12 LEU 26 2HD1 LEU 26 -2.234 -2.941 0.918 783 HD13 LEU 26 3HD1 LEU 26 -2.067 -4.692 0.776 784 HD21 LEU 26 1HD2 LEU 26 -2.271 -2.970 4.655 785 HD22 LEU 26 2HD2 LEU 26 -2.417 -1.910 3.252 786 HD23 LEU 26 3HD2 LEU 26 -0.874 -2.679 3.620 787 H HIS 27 H HIS 27 -5.170 -6.495 4.266 788 HA HIS 27 HA HIS 27 -2.914 -7.896 5.141 789 HD1 HIS 27 1HD HIS 27 -6.072 -10.584 6.986 790 HD2 HIS 27 2HD HIS 27 -2.397 -8.783 7.702 791 HE1 HIS 27 1HE HIS 27 -4.908 -12.060 8.651 792 HE2 HIS 27 2HE HIS 27 -2.688 -10.944 9.094 793 HB2 HIS 27 2HB HIS 27 -4.840 -7.309 6.572 794 HB3 HIS 27 1HB HIS 27 -5.828 -8.485 5.713 795 H ASP 28 H ASP 28 -5.643 -8.910 3.154 796 HA ASP 28 HA ASP 28 -4.889 -11.641 2.966 797 HB2 ASP 28 2HB ASP 28 -7.170 -10.989 2.534 798 HB3 ASP 28 1HB ASP 28 -6.666 -9.920 1.231 799 H LEU 29 H LEU 29 -4.294 -8.810 0.891 800 HA LEU 29 HA LEU 29 -3.007 -10.277 -1.179 801 HG LEU 29 HG LEU 29 -0.997 -8.031 -2.032 802 HB2 LEU 29 2HB LEU 29 -3.981 -8.057 -1.544 803 HB3 LEU 29 1HB LEU 29 -2.799 -7.351 -0.460 804 HD11 LEU 29 1HD1 LEU 29 -3.289 -8.804 -3.832 805 HD12 LEU 29 2HD1 LEU 29 -2.134 -9.910 -3.087 806 HD13 LEU 29 3HD1 LEU 29 -1.585 -8.739 -4.290 807 HD21 LEU 29 1HD2 LEU 29 -3.177 -6.306 -3.203 808 HD22 LEU 29 2HD2 LEU 29 -1.498 -6.339 -3.739 809 HD23 LEU 29 3HD2 LEU 29 -1.893 -5.778 -2.116 810 H ALA 30 H ALA 30 -1.876 -8.688 1.744 811 HA ALA 30 HA ALA 30 0.902 -8.951 1.147 812 HB1 ALA 30 1HB ALA 30 -0.417 -8.621 3.838 813 HB2 ALA 30 2HB ALA 30 0.062 -7.302 2.768 814 HB3 ALA 30 3HB ALA 30 1.286 -8.362 3.467 815 H GLU 31 H GLU 31 -1.509 -11.031 2.537 816 HA GLU 31 HA GLU 31 0.295 -12.923 3.684 817 HB2 GLU 31 2HB GLU 31 -2.294 -12.550 4.026 818 HB3 GLU 31 1HB GLU 31 -2.421 -13.693 2.697 819 HG2 GLU 31 2HG GLU 31 -2.599 -14.902 4.736 820 HG3 GLU 31 1HG GLU 31 -1.040 -15.284 4.006 821 H ASP 32 H ASP 32 -1.063 -12.356 0.562 822 HA ASP 32 HA ASP 32 0.025 -14.847 -0.526 823 HB2 ASP 32 2HB ASP 32 -2.131 -12.976 -1.351 824 HB3 ASP 32 1HB ASP 32 -1.243 -13.794 -2.632 825 H LEU 33 H LEU 33 1.671 -12.514 0.240 826 HA LEU 33 HA LEU 33 2.497 -10.856 -1.726 827 HG LEU 33 HG LEU 33 2.755 -9.909 0.811 828 HB2 LEU 33 2HB LEU 33 3.818 -12.087 0.584 829 HB3 LEU 33 1HB LEU 33 4.904 -11.454 -0.644 830 HD11 LEU 33 1HD1 LEU 33 5.759 -9.667 0.868 831 HD12 LEU 33 2HD1 LEU 33 4.759 -10.362 2.141 832 HD13 LEU 33 3HD1 LEU 33 4.613 -8.651 1.743 833 HD21 LEU 33 1HD2 LEU 33 2.907 -9.153 -1.511 834 HD22 LEU 33 2HD2 LEU 33 4.658 -9.007 -1.358 835 HD23 LEU 33 3HD2 LEU 33 3.604 -7.951 -0.421 836 HA PRO 34 HA PRO 34 4.364 -10.706 -5.010 837 HB2 PRO 34 2HB PRO 34 5.939 -13.264 -4.922 838 HB3 PRO 34 1HB PRO 34 6.226 -11.812 -5.895 839 HG2 PRO 34 2HG PRO 34 7.352 -12.311 -3.390 840 HG3 PRO 34 1HG PRO 34 7.237 -10.721 -4.162 841 HD2 PRO 34 2HD PRO 34 5.948 -11.504 -1.776 842 HD3 PRO 34 1HD PRO 34 5.563 -10.063 -2.744 843 H THR 35 H THR 35 2.779 -10.882 -6.137 844 HA THR 35 HA THR 35 1.937 -13.037 -7.712 845 HB THR 35 HB THR 35 -0.498 -12.978 -6.805 846 HG1 THR 35 1HG THR 35 0.455 -12.782 -4.223 847 HG21 THR 35 1HG2 THR 35 0.821 -15.028 -6.794 848 HG22 THR 35 2HG2 THR 35 -0.154 -14.899 -5.328 849 HG23 THR 35 3HG2 THR 35 1.574 -14.548 -5.273 850 H GLY 36 H GLY 36 0.213 -10.511 -5.950 851 HA2 GLY 36 2HA GLY 36 -0.003 -8.935 -8.441 852 HA3 GLY 36 1HA GLY 36 -1.287 -9.022 -7.247 853 H TRP 37 H TRP 37 2.162 -8.718 -6.623 854 HA TRP 37 HA TRP 37 1.993 -6.792 -4.668 855 HD1 TRP 37 HD TRP 37 5.425 -5.164 -6.871 856 HE1 TRP 37 1HE TRP 37 6.424 -5.855 -9.139 857 HE3 TRP 37 3HE TRP 37 3.707 -9.975 -7.087 858 HZ2 TRP 37 2HZ TRP 37 6.483 -8.137 -10.798 859 HZ3 TRP 37 3HZ TRP 37 4.282 -11.346 -9.046 860 HH2 TRP 37 HH TRP 37 5.641 -10.445 -10.863 861 HB2 TRP 37 2HB TRP 37 4.377 -6.546 -4.866 862 HB3 TRP 37 1HB TRP 37 3.976 -8.234 -5.155 863 H ASN 38 H ASN 38 1.855 -6.381 -8.096 864 HA ASN 38 HA ASN 38 2.648 -3.721 -8.369 865 HB2 ASN 38 2HB ASN 38 2.211 -5.143 -10.303 866 HB3 ASN 38 1HB ASN 38 0.507 -5.244 -9.875 867 HD21 ASN 38 1HD2 ASN 38 -0.849 -3.518 -10.337 868 HD22 ASN 38 2HD2 ASN 38 -0.357 -2.178 -11.314 869 H ARG 39 H ARG 39 -0.253 -5.126 -7.059 870 HA ARG 39 HA ARG 39 -1.605 -2.537 -7.096 871 HE ARG 39 HE ARG 39 -5.160 -3.296 -7.922 872 HB2 ARG 39 2HB ARG 39 -2.628 -5.294 -6.435 873 HB3 ARG 39 1HB ARG 39 -3.598 -3.836 -6.475 874 HG2 ARG 39 2HG ARG 39 -2.896 -3.571 -8.884 875 HG3 ARG 39 1HG ARG 39 -2.232 -5.201 -8.770 876 HD2 ARG 39 2HD ARG 39 -4.441 -5.309 -9.719 877 HD3 ARG 39 1HD ARG 39 -4.463 -6.020 -8.107 878 HH11 ARG 39 1HH1 ARG 39 -6.456 -6.284 -9.228 879 HH12 ARG 39 2HH1 ARG 39 -8.107 -5.847 -8.913 880 HH21 ARG 39 1HH2 ARG 39 -7.327 -2.723 -7.519 881 HH22 ARG 39 2HH2 ARG 39 -8.601 -3.839 -7.938 882 H ILE 40 H ILE 40 0.519 -3.946 -5.131 883 HA ILE 40 HA ILE 40 -0.584 -3.965 -2.571 884 HB ILE 40 HB ILE 40 2.200 -3.433 -3.560 885 HG12 ILE 40 2HG1 ILE 40 0.964 -5.668 -1.939 886 HG13 ILE 40 1HG1 ILE 40 1.354 -5.730 -3.655 887 HG21 ILE 40 1HG2 ILE 40 3.033 -3.444 -1.278 888 HG22 ILE 40 2HG2 ILE 40 1.381 -3.499 -0.660 889 HG23 ILE 40 3HG2 ILE 40 1.947 -2.081 -1.543 890 HD11 ILE 40 1HD1 ILE 40 3.722 -5.490 -3.127 891 HD12 ILE 40 2HD1 ILE 40 3.015 -6.895 -2.327 892 HD13 ILE 40 3HD1 ILE 40 3.332 -5.424 -1.408 893 H MET 41 H MET 41 0.994 -1.265 -4.291 894 HA MET 41 HA MET 41 0.636 0.561 -2.142 895 HB2 MET 41 2HB MET 41 1.445 2.259 -3.614 896 HB3 MET 41 1HB MET 41 2.370 0.797 -3.929 897 HG2 MET 41 2HG MET 41 1.085 0.366 -5.925 898 HG3 MET 41 1HG MET 41 0.050 1.756 -5.590 899 HE1 MET 41 1HE MET 41 1.070 4.258 -5.377 900 HE2 MET 41 2HE MET 41 2.706 4.693 -5.881 901 HE3 MET 41 3HE MET 41 2.458 3.727 -4.427 902 H GLU 42 H GLU 42 -1.362 -0.473 -4.759 903 HA GLU 42 HA GLU 42 -3.175 1.684 -4.874 904 HB2 GLU 42 2HB GLU 42 -3.060 -0.177 -6.540 905 HB3 GLU 42 1HB GLU 42 -3.762 -1.245 -5.338 906 HG2 GLU 42 2HG GLU 42 -5.713 0.370 -5.260 907 HG3 GLU 42 1HG GLU 42 -5.039 1.086 -6.723 908 H VAL 43 H VAL 43 -3.347 -1.425 -3.180 909 HA VAL 43 HA VAL 43 -5.729 -0.918 -1.789 910 HB VAL 43 HB VAL 43 -3.478 -2.621 -0.742 911 HG11 VAL 43 1HG1 VAL 43 -6.476 -2.783 -0.426 912 HG12 VAL 43 2HG1 VAL 43 -5.317 -2.299 0.813 913 HG13 VAL 43 3HG1 VAL 43 -5.323 -3.955 0.205 914 HG21 VAL 43 1HG2 VAL 43 -4.436 -4.482 -2.011 915 HG22 VAL 43 2HG2 VAL 43 -3.856 -3.206 -3.081 916 HG23 VAL 43 3HG2 VAL 43 -5.583 -3.378 -2.767 917 H ALA 44 H ALA 44 -2.345 -0.408 -0.830 918 HA ALA 44 HA ALA 44 -2.806 0.491 1.783 919 HB1 ALA 44 1HB ALA 44 -0.594 -0.119 0.946 920 HB2 ALA 44 2HB ALA 44 -0.587 1.496 1.654 921 HB3 ALA 44 3HB ALA 44 -0.592 1.301 -0.099 922 H GLU 45 H GLU 45 -2.621 2.304 -1.266 923 HA GLU 45 HA GLU 45 -2.967 4.885 -0.249 924 HB2 GLU 45 2HB GLU 45 -2.361 4.431 -2.585 925 HB3 GLU 45 1HB GLU 45 -3.946 3.723 -2.870 926 HG2 GLU 45 2HG GLU 45 -4.907 5.977 -2.227 927 HG3 GLU 45 1HG GLU 45 -3.261 6.596 -2.341 928 H LYS 46 H LYS 46 -5.391 2.621 -1.505 929 HA LYS 46 HA LYS 46 -7.648 4.172 -1.033 930 HB2 LYS 46 2HB LYS 46 -7.307 1.187 -1.143 931 HB3 LYS 46 1HB LYS 46 -8.875 1.987 -1.073 932 HG2 LYS 46 2HG LYS 46 -8.356 3.180 -3.141 933 HG3 LYS 46 1HG LYS 46 -6.792 2.371 -3.211 934 HD2 LYS 46 2HD LYS 46 -9.461 0.976 -3.265 935 HD3 LYS 46 1HD LYS 46 -8.491 1.370 -4.679 936 HE2 LYS 46 2HE LYS 46 -6.648 0.006 -3.736 937 HE3 LYS 46 1HE LYS 46 -7.716 -0.463 -2.416 938 HZ1 LYS 46 1HZ LYS 46 -7.920 -1.160 -5.284 939 HZ2 LYS 46 2HZ LYS 46 -9.260 -1.280 -4.246 940 HZ3 LYS 46 3HZ LYS 46 -7.868 -2.198 -3.937 941 H THR 47 H THR 47 -6.024 1.829 1.065 942 HA THR 47 HA THR 47 -7.915 1.856 3.158 943 HB THR 47 HB THR 47 -4.947 1.289 3.381 944 HG1 THR 47 1HG THR 47 -5.797 -0.079 1.829 945 HG21 THR 47 1HG2 THR 47 -7.299 0.387 5.051 946 HG22 THR 47 2HG2 THR 47 -6.070 1.554 5.541 947 HG23 THR 47 3HG2 THR 47 -5.627 -0.131 5.266 948 H TYR 48 H TYR 48 -4.803 3.562 2.826 949 HA TYR 48 HA TYR 48 -4.929 4.973 5.241 950 HD1 TYR 48 1HD TYR 48 -2.768 5.863 6.304 951 HD2 TYR 48 2HD TYR 48 -3.035 8.008 2.644 952 HE1 TYR 48 1HE TYR 48 -1.804 7.841 7.395 953 HE2 TYR 48 2HE TYR 48 -2.071 9.992 3.730 954 HH TYR 48 HH TYR 48 -0.617 9.858 6.833 955 HB2 TYR 48 2HB TYR 48 -2.875 4.740 3.911 956 HB3 TYR 48 1HB TYR 48 -3.567 5.755 2.655 957 H GLU 49 H GLU 49 -6.011 5.841 1.988 958 HA GLU 49 HA GLU 49 -6.807 8.478 2.635 959 HB2 GLU 49 2HB GLU 49 -6.329 7.386 0.342 960 HB3 GLU 49 1HB GLU 49 -7.990 6.827 0.415 961 HG2 GLU 49 2HG GLU 49 -7.221 9.719 0.651 962 HG3 GLU 49 1HG GLU 49 -7.587 8.935 -0.884 963 H ALA 50 H ALA 50 -8.551 5.389 2.526 964 HA ALA 50 HA ALA 50 -11.126 6.418 2.976 965 HB1 ALA 50 1HB ALA 50 -11.739 4.170 3.686 966 HB2 ALA 50 2HB ALA 50 -10.036 3.733 3.820 967 HB3 ALA 50 3HB ALA 50 -10.728 4.114 2.243 968 H TYR 51 H TYR 51 -8.628 5.363 5.268 969 HA TYR 51 HA TYR 51 -10.267 5.914 7.542 970 HD1 TYR 51 2HD TYR 51 -9.929 4.496 9.780 971 HD2 TYR 51 1HD TYR 51 -7.662 2.950 6.526 972 HE1 TYR 51 2HE TYR 51 -10.745 2.236 10.294 973 HE2 TYR 51 1HE TYR 51 -8.480 0.685 7.028 974 HH TYR 51 HH TYR 51 -11.077 0.089 9.094 975 HB2 TYR 51 2HB TYR 51 -7.383 5.198 7.163 976 HB3 TYR 51 1HB TYR 51 -7.959 5.749 8.732 977 H ARG 52 H ARG 52 -7.957 7.771 5.665 978 HA ARG 52 HA ARG 52 -7.735 9.865 7.587 979 HE ARG 52 HE ARG 52 -8.933 11.317 2.328 980 HB2 ARG 52 2HB ARG 52 -6.450 11.034 6.013 981 HB3 ARG 52 1HB ARG 52 -6.114 9.353 5.657 982 HG2 ARG 52 2HG ARG 52 -6.409 10.126 3.550 983 HG3 ARG 52 1HG ARG 52 -8.084 9.718 3.922 984 HD2 ARG 52 2HD ARG 52 -8.362 12.098 4.704 985 HD3 ARG 52 1HD ARG 52 -6.780 12.427 4.004 986 HH11 ARG 52 1HH1 ARG 52 -6.572 13.806 3.000 987 HH12 ARG 52 2HH1 ARG 52 -6.979 14.755 1.604 988 HH21 ARG 52 1HH2 ARG 52 -9.470 12.539 0.496 989 HH22 ARG 52 2HH2 ARG 52 -8.637 14.033 0.171 990 H GLN 53 H GLN 53 -9.805 9.260 4.784 991 HA GLN 53 HA GLN 53 -11.161 11.764 4.895 992 HB2 GLN 53 2HB GLN 53 -11.054 10.194 2.907 993 HB3 GLN 53 1HB GLN 53 -12.225 9.184 3.741 994 HG2 GLN 53 2HG GLN 53 -13.416 10.525 2.191 995 HG3 GLN 53 1HG GLN 53 -13.762 11.150 3.803 996 HE21 GLN 53 1HE2 GLN 53 -14.328 13.184 3.032 997 HE22 GLN 53 2HE2 GLN 53 -13.154 14.298 2.403 998 H LEU 54 H LEU 54 -11.600 8.634 6.383 999 HA LEU 54 HA LEU 54 -14.134 8.957 7.488 1000 HG LEU 54 HG LEU 54 -13.699 7.650 10.273 1001 HB2 LEU 54 2HB LEU 54 -12.742 6.879 7.516 1002 HB3 LEU 54 1HB LEU 54 -11.762 7.603 8.776 1003 HD11 LEU 54 1HD1 LEU 54 -15.160 6.245 8.045 1004 HD12 LEU 54 2HD1 LEU 54 -15.446 7.901 8.578 1005 HD13 LEU 54 3HD1 LEU 54 -15.777 6.556 9.668 1006 HD21 LEU 54 1HD2 LEU 54 -13.206 4.950 9.030 1007 HD22 LEU 54 2HD2 LEU 54 -13.915 5.240 10.619 1008 HD23 LEU 54 3HD2 LEU 54 -12.243 5.704 10.301 1009 H ASP 55 H ASP 55 -10.970 10.005 8.692 1010 HA ASP 55 HA ASP 55 -11.991 11.228 11.060 1011 HB2 ASP 55 2HB ASP 55 -9.646 10.575 10.929 1012 HB3 ASP 55 1HB ASP 55 -9.391 11.664 9.569 1013 H GLU 56 H GLU 56 -11.207 12.400 7.809 1014 HA GLU 56 HA GLU 56 -11.653 15.118 8.161 1015 HB2 GLU 56 2HB GLU 56 -12.397 13.418 5.769 1016 HB3 GLU 56 1HB GLU 56 -12.284 15.170 5.765 1017 HG2 GLU 56 2HG GLU 56 -10.007 13.279 6.297 1018 HG3 GLU 56 1HG GLU 56 -10.330 14.092 4.768 1019 H PHE 57 H PHE 57 -13.995 12.574 7.373 1020 HA PHE 57 HA PHE 57 -16.278 14.194 7.253 1021 HD1 PHE 57 2HD PHE 57 -18.392 12.982 5.805 1022 HD2 PHE 57 1HD PHE 57 -17.867 10.979 9.527 1023 HE1 PHE 57 2HE PHE 57 -20.834 12.862 6.083 1024 HE2 PHE 57 1HE PHE 57 -20.308 10.855 9.807 1025 HZ PHE 57 HZ PHE 57 -21.792 11.800 8.085 1026 HB2 PHE 57 2HB PHE 57 -16.238 11.883 6.440 1027 HB3 PHE 57 1HB PHE 57 -16.022 11.294 8.084 1028 H ARG 58 H ARG 58 -14.724 12.548 9.964 1029 HA ARG 58 HA ARG 58 -16.709 13.093 11.879 1030 HE ARG 58 HE ARG 58 -15.307 10.717 14.815 1031 HB2 ARG 58 2HB ARG 58 -13.769 12.466 12.138 1032 HB3 ARG 58 1HB ARG 58 -14.855 12.581 13.502 1033 HG2 ARG 58 2HG ARG 58 -16.215 10.763 12.553 1034 HG3 ARG 58 1HG ARG 58 -15.056 10.626 11.232 1035 HD2 ARG 58 2HD ARG 58 -14.474 8.942 12.782 1036 HD3 ARG 58 1HD ARG 58 -13.287 10.228 12.991 1037 HH11 ARG 58 1HH1 ARG 58 -12.949 8.208 14.185 1038 HH12 ARG 58 2HH1 ARG 58 -12.885 7.676 15.844 1039 HH21 ARG 58 1HH2 ARG 58 -15.223 10.027 16.991 1040 HH22 ARG 58 2HH2 ARG 58 -14.178 8.717 17.445 1041 H LYS 59 H LYS 59 -13.748 14.812 10.938 1042 HA LYS 59 HA LYS 59 -13.997 16.813 12.951 1043 HB2 LYS 59 2HB LYS 59 -12.427 16.676 10.384 1044 HB3 LYS 59 1HB LYS 59 -12.385 18.084 11.437 1045 HG2 LYS 59 2HG LYS 59 -11.596 15.281 12.203 1046 HG3 LYS 59 1HG LYS 59 -10.492 16.612 11.844 1047 HD2 LYS 59 2HD LYS 59 -11.521 17.886 13.713 1048 HD3 LYS 59 1HD LYS 59 -12.467 16.454 14.115 1049 HE2 LYS 59 2HE LYS 59 -10.404 15.189 14.475 1050 HE3 LYS 59 1HE LYS 59 -9.457 16.621 14.073 1051 HZ1 LYS 59 1HZ LYS 59 -11.299 16.315 16.384 1052 HZ2 LYS 59 2HZ LYS 59 -10.503 17.751 15.970 1053 HZ3 LYS 59 3HZ LYS 59 -9.605 16.393 16.445 1054 H SER 60 H SER 60 -14.990 16.609 9.578 1055 HA SER 60 HA SER 60 -15.803 19.259 9.246 1056 HG SER 60 HG SER 60 -14.693 16.960 7.556 1057 HB2 SER 60 2HB SER 60 -16.914 16.789 7.909 1058 HB3 SER 60 1HB SER 60 -17.109 18.445 7.336 1059 H THR 61 H THR 61 -17.722 16.418 10.192 1060 HA THR 61 HA THR 61 -20.149 17.854 10.393 1061 HB THR 61 HB THR 61 -19.967 15.351 10.172 1062 HG1 THR 61 1HG THR 61 -21.582 16.196 12.378 1063 HG21 THR 61 1HG2 THR 61 -19.775 14.012 12.212 1064 HG22 THR 61 2HG2 THR 61 -19.437 15.472 13.142 1065 HG23 THR 61 3HG2 THR 61 -18.298 14.928 11.911 1066 H ALA 62 H ALA 62 -17.580 17.164 12.696 1067 HA ALA 62 HA ALA 62 -18.906 18.098 15.006 1068 HB1 ALA 62 1HB ALA 62 -16.692 18.216 16.008 1069 HB2 ALA 62 2HB ALA 62 -15.951 18.044 14.419 1070 HB3 ALA 62 3HB ALA 62 -16.888 16.716 15.103 1071 H SER 63 H SER 63 -16.861 19.687 12.603 1072 HA SER 63 HA SER 63 -16.663 22.173 13.909 1073 HG SER 63 HG SER 63 -15.083 20.329 12.133 1074 HB2 SER 63 2HB SER 63 -16.563 21.639 10.929 1075 HB3 SER 63 1HB SER 63 -15.893 23.037 11.771 1076 H LEU 64 H LEU 64 -19.146 20.786 11.880 1077 HA LEU 64 HA LEU 64 -20.497 23.305 11.528 1078 HG LEU 64 HG LEU 64 -21.502 21.577 8.468 1079 HB2 LEU 64 2HB LEU 64 -20.934 20.521 10.617 1080 HB3 LEU 64 1HB LEU 64 -22.349 21.545 10.733 1081 HD11 LEU 64 1HD1 LEU 64 -21.214 23.973 8.154 1082 HD12 LEU 64 2HD1 LEU 64 -20.903 24.171 9.878 1083 HD13 LEU 64 3HD1 LEU 64 -22.490 23.633 9.324 1084 HD21 LEU 64 1HD2 LEU 64 -19.182 20.998 8.894 1085 HD22 LEU 64 2HD2 LEU 64 -18.916 22.564 9.663 1086 HD23 LEU 64 3HD2 LEU 64 -19.285 22.479 7.941 1087 H GLU 65 H GLU 65 -21.096 20.328 13.361 1088 HA GLU 65 HA GLU 65 -23.580 21.263 14.376 1089 HB2 GLU 65 2HB GLU 65 -21.843 18.916 15.099 1090 HB3 GLU 65 1HB GLU 65 -23.448 19.194 15.736 1091 HG2 GLU 65 2HG GLU 65 -24.358 19.087 13.461 1092 HG3 GLU 65 1HG GLU 65 -22.735 18.750 12.856 1093 H HIS 66 H HIS 66 -20.386 21.728 15.310 1094 HA HIS 66 HA HIS 66 -21.049 22.213 18.113 1095 HD1 HIS 66 1HD HIS 66 -16.572 23.179 18.406 1096 HD2 HIS 66 2HD HIS 66 -19.995 21.786 20.320 1097 HE1 HIS 66 1HE HIS 66 -16.146 23.474 20.870 1098 HE2 HIS 66 2HE HIS 66 -18.251 22.678 22.006 1099 HB2 HIS 66 2HB HIS 66 -18.937 21.009 17.370 1100 HB3 HIS 66 1HB HIS 66 -18.358 22.566 16.792 1101 H HIS 67 H HIS 67 -21.586 23.869 15.469 1102 HA HIS 67 HA HIS 67 -21.224 26.435 16.843 1103 HD1 HIS 67 1HD HIS 67 -18.881 28.570 15.869 1104 HD2 HIS 67 2HD HIS 67 -18.184 24.597 14.843 1105 HE1 HIS 67 1HE HIS 67 -16.448 28.153 16.360 1106 HE2 HIS 67 2HE HIS 67 -16.010 25.807 15.557 1107 HB2 HIS 67 2HB HIS 67 -20.562 25.882 13.944 1108 HB3 HIS 67 1HB HIS 67 -20.810 27.502 14.583 1109 H HIS 68 H HIS 68 -22.927 27.825 16.658 1110 HA HIS 68 HA HIS 68 -25.016 28.602 16.200 1111 HD1 HIS 68 1HD HIS 68 -26.235 29.833 12.709 1112 HD2 HIS 68 2HD HIS 68 -22.381 29.134 14.099 1113 HE1 HIS 68 1HE HIS 68 -24.852 31.767 11.878 1114 HE2 HIS 68 2HE HIS 68 -22.558 31.396 12.866 1115 HB2 HIS 68 2HB HIS 68 -24.575 26.967 13.709 1116 HB3 HIS 68 1HB HIS 68 -26.110 27.770 14.010 1117 H HIS 69 H HIS 69 -27.322 27.776 15.586 1118 HA HIS 69 HA HIS 69 -27.812 24.973 16.037 1119 HD1 HIS 69 1HD HIS 69 -27.308 28.253 18.796 1120 HD2 HIS 69 2HD HIS 69 -31.291 27.433 17.912 1121 HE1 HIS 69 1HE HIS 69 -28.590 30.310 19.465 1122 HE2 HIS 69 2HE HIS 69 -31.015 29.717 19.104 1123 HB2 HIS 69 2HB HIS 69 -29.477 25.340 17.842 1124 HB3 HIS 69 1HB HIS 69 -27.843 25.726 18.352 1125 H HIS 70 H HIS 70 -29.195 24.435 14.464 1126 HA HIS 70 HA HIS 70 -30.350 26.516 12.890 1127 HD1 HIS 70 1HD HIS 70 -33.309 23.921 11.970 1128 HD2 HIS 70 2HD HIS 70 -30.025 21.697 13.230 1129 HE1 HIS 70 1HE HIS 70 -34.203 21.642 12.511 1130 HE2 HIS 70 2HE HIS 70 -32.172 20.255 13.042 1131 HB2 HIS 70 2HB HIS 70 -30.908 24.908 11.315 1132 HB3 HIS 70 1HB HIS 70 -29.527 24.170 12.110 1133 H HIS 71 H HIS 71 -32.401 27.190 12.672 1134 HA HIS 71 HA HIS 71 -34.393 26.010 14.488 1135 HD1 HIS 71 1HD HIS 71 -37.153 28.685 13.355 1136 HD2 HIS 71 2HD HIS 71 -35.345 27.845 17.004 1137 HE1 HIS 71 1HE HIS 71 -38.997 28.779 15.065 1138 HE2 HIS 71 2HE HIS 71 -37.857 28.386 17.283 1139 HB2 HIS 71 2HB HIS 71 -33.717 28.479 14.804 1140 HB3 HIS 71 1HB HIS 71 -34.575 28.778 13.296 Start of MODEL 17 1 HA MET 1 HA MET 1 29.616 -5.375 -23.212 2 H1 MET 1 1H MET 1 28.493 -4.390 -25.135 3 H2 MET 1 2H MET 1 27.006 -4.561 -24.344 4 H3 MET 1 3H MET 1 27.910 -5.934 -24.753 5 HB2 MET 1 2HB MET 1 27.900 -2.940 -22.670 6 HB3 MET 1 1HB MET 1 29.266 -3.430 -21.679 7 HG2 MET 1 2HG MET 1 30.757 -3.147 -23.596 8 HG3 MET 1 1HG MET 1 29.386 -2.650 -24.585 9 HE1 MET 1 1HE MET 1 28.007 -0.431 -24.186 10 HE2 MET 1 2HE MET 1 28.347 0.728 -22.901 11 HE3 MET 1 3HE MET 1 27.718 -0.872 -22.502 12 H SER 2 H SER 2 29.289 -5.464 -20.723 13 HA SER 2 HA SER 2 26.650 -6.415 -19.959 14 HG SER 2 HG SER 2 26.664 -9.459 -19.678 15 HB2 SER 2 2HB SER 2 27.847 -8.372 -21.011 16 HB3 SER 2 1HB SER 2 29.049 -8.249 -19.726 17 H GLU 3 H GLU 3 27.320 -7.636 -17.583 18 HA GLU 3 HA GLU 3 28.900 -5.662 -16.108 19 HB2 GLU 3 2HB GLU 3 26.361 -5.191 -16.064 20 HB3 GLU 3 1HB GLU 3 26.229 -6.654 -15.102 21 HG2 GLU 3 2HG GLU 3 27.638 -5.695 -13.385 22 HG3 GLU 3 1HG GLU 3 27.877 -4.245 -14.358 23 H GLY 4 H GLY 4 29.888 -6.541 -14.263 24 HA2 GLY 4 2HA GLY 4 30.756 -9.168 -14.487 25 HA3 GLY 4 1HA GLY 4 30.958 -8.161 -13.063 26 H ALA 5 H ALA 5 30.132 -11.054 -13.744 27 HA ALA 5 HA ALA 5 27.506 -11.475 -12.813 28 HB1 ALA 5 1HB ALA 5 28.122 -13.814 -12.624 29 HB2 ALA 5 2HB ALA 5 29.833 -13.396 -12.716 30 HB3 ALA 5 3HB ALA 5 28.787 -13.132 -14.110 31 H GLU 6 H GLU 6 30.571 -11.154 -11.132 32 HA GLU 6 HA GLU 6 29.584 -11.982 -8.582 33 HB2 GLU 6 2HB GLU 6 31.926 -10.170 -9.178 34 HB3 GLU 6 1HB GLU 6 31.632 -11.052 -7.686 35 HG2 GLU 6 2HG GLU 6 31.764 -13.158 -9.042 36 HG3 GLU 6 1HG GLU 6 32.347 -12.168 -10.376 37 H GLU 7 H GLU 7 30.079 -8.880 -10.178 38 HA GLU 7 HA GLU 7 29.030 -7.227 -8.206 39 HB2 GLU 7 2HB GLU 7 29.074 -6.950 -11.212 40 HB3 GLU 7 1HB GLU 7 28.592 -5.674 -10.124 41 HG2 GLU 7 2HG GLU 7 30.782 -5.142 -10.578 42 HG3 GLU 7 1HG GLU 7 30.905 -6.001 -9.046 43 H LEU 8 H LEU 8 27.448 -9.026 -10.826 44 HA LEU 8 HA LEU 8 24.837 -8.162 -10.382 45 HG LEU 8 HG LEU 8 23.634 -8.828 -12.346 46 HB2 LEU 8 2HB LEU 8 26.165 -10.350 -11.774 47 HB3 LEU 8 1HB LEU 8 24.598 -10.797 -11.155 48 HD11 LEU 8 1HD1 LEU 8 26.386 -8.664 -13.543 49 HD12 LEU 8 2HD1 LEU 8 25.624 -7.466 -12.497 50 HD13 LEU 8 3HD1 LEU 8 24.969 -7.778 -14.106 51 HD21 LEU 8 1HD2 LEU 8 25.098 -10.846 -14.038 52 HD22 LEU 8 2HD2 LEU 8 23.741 -9.853 -14.572 53 HD23 LEU 8 3HD2 LEU 8 23.508 -11.059 -13.305 54 H LYS 9 H LYS 9 26.708 -10.753 -8.873 55 HA LYS 9 HA LYS 9 24.660 -11.803 -7.254 56 HB2 LYS 9 2HB LYS 9 26.833 -12.907 -7.601 57 HB3 LYS 9 1HB LYS 9 27.633 -11.628 -6.709 58 HG2 LYS 9 2HG LYS 9 27.411 -13.524 -5.281 59 HG3 LYS 9 1HG LYS 9 26.318 -12.264 -4.709 60 HD2 LYS 9 2HD LYS 9 24.455 -13.394 -5.872 61 HD3 LYS 9 1HD LYS 9 25.565 -14.679 -6.359 62 HE2 LYS 9 2HE LYS 9 26.020 -15.139 -3.976 63 HE3 LYS 9 1HE LYS 9 24.838 -13.909 -3.533 64 HZ1 LYS 9 1HZ LYS 9 23.801 -16.029 -3.420 65 HZ2 LYS 9 2HZ LYS 9 24.325 -16.452 -4.975 66 HZ3 LYS 9 3HZ LYS 9 23.162 -15.231 -4.772 67 H ALA 10 H ALA 10 27.115 -9.349 -6.553 68 HA ALA 10 HA ALA 10 26.223 -8.702 -3.963 69 HB1 ALA 10 1HB ALA 10 28.429 -8.075 -4.808 70 HB2 ALA 10 2HB ALA 10 27.551 -6.666 -4.213 71 HB3 ALA 10 3HB ALA 10 27.682 -6.958 -5.947 72 H LYS 11 H LYS 11 25.304 -7.574 -7.130 73 HA LYS 11 HA LYS 11 23.692 -5.386 -6.309 74 HB2 LYS 11 2HB LYS 11 24.750 -5.894 -8.598 75 HB3 LYS 11 1HB LYS 11 23.377 -6.954 -8.859 76 HG2 LYS 11 2HG LYS 11 21.859 -5.093 -8.713 77 HG3 LYS 11 1HG LYS 11 23.188 -4.007 -8.289 78 HD2 LYS 11 2HD LYS 11 24.266 -4.668 -10.472 79 HD3 LYS 11 1HD LYS 11 22.744 -5.452 -10.893 80 HE2 LYS 11 2HE LYS 11 21.576 -3.364 -10.771 81 HE3 LYS 11 1HE LYS 11 23.010 -2.549 -10.149 82 HZ1 LYS 11 1HZ LYS 11 24.126 -3.144 -12.279 83 HZ2 LYS 11 2HZ LYS 11 22.832 -2.058 -12.446 84 HZ3 LYS 11 3HZ LYS 11 22.631 -3.687 -12.864 85 H LEU 12 H LEU 12 22.957 -8.698 -7.334 86 HA LEU 12 HA LEU 12 20.165 -8.541 -6.971 87 HG LEU 12 HG LEU 12 19.769 -11.508 -5.954 88 HB2 LEU 12 2HB LEU 12 21.243 -10.294 -8.300 89 HB3 LEU 12 1HB LEU 12 22.002 -10.937 -6.856 90 HD11 LEU 12 1HD1 LEU 12 18.445 -9.819 -7.079 91 HD12 LEU 12 2HD1 LEU 12 17.829 -11.430 -7.457 92 HD13 LEU 12 3HD1 LEU 12 18.797 -10.555 -8.643 93 HD21 LEU 12 1HD2 LEU 12 20.364 -12.605 -8.701 94 HD22 LEU 12 2HD2 LEU 12 19.320 -13.362 -7.498 95 HD23 LEU 12 3HD2 LEU 12 21.044 -13.177 -7.178 96 H LYS 13 H LYS 13 22.813 -9.503 -4.831 97 HA LYS 13 HA LYS 13 21.248 -10.385 -2.670 98 HB2 LYS 13 2HB LYS 13 23.729 -10.661 -2.892 99 HB3 LYS 13 1HB LYS 13 23.910 -8.966 -2.477 100 HG2 LYS 13 2HG LYS 13 22.872 -9.372 -0.310 101 HG3 LYS 13 1HG LYS 13 22.664 -11.074 -0.725 102 HD2 LYS 13 2HD LYS 13 25.105 -11.301 -0.930 103 HD3 LYS 13 1HD LYS 13 25.290 -9.610 -0.455 104 HE2 LYS 13 2HE LYS 13 24.235 -10.091 1.693 105 HE3 LYS 13 1HE LYS 13 24.022 -11.776 1.221 106 HZ1 LYS 13 1HZ LYS 13 26.474 -11.921 1.021 107 HZ2 LYS 13 2HZ LYS 13 25.939 -11.614 2.598 108 HZ3 LYS 13 3HZ LYS 13 26.590 -10.358 1.669 109 H LYS 14 H LYS 14 22.561 -7.183 -3.414 110 HA LYS 14 HA LYS 14 21.585 -5.798 -1.216 111 HB2 LYS 14 2HB LYS 14 23.187 -4.995 -3.021 112 HB3 LYS 14 1HB LYS 14 21.772 -4.691 -4.015 113 HG2 LYS 14 2HG LYS 14 22.168 -2.618 -3.125 114 HG3 LYS 14 1HG LYS 14 20.984 -3.265 -1.990 115 HD2 LYS 14 2HD LYS 14 23.967 -3.397 -1.569 116 HD3 LYS 14 1HD LYS 14 22.944 -2.111 -0.947 117 HE2 LYS 14 2HE LYS 14 21.627 -3.822 0.285 118 HE3 LYS 14 1HE LYS 14 22.788 -5.035 -0.259 119 HZ1 LYS 14 1HZ LYS 14 23.398 -2.676 1.433 120 HZ2 LYS 14 2HZ LYS 14 24.536 -3.812 0.880 121 HZ3 LYS 14 3HZ LYS 14 23.313 -4.288 1.951 122 H LEU 15 H LEU 15 20.089 -6.297 -4.397 123 HA LEU 15 HA LEU 15 17.691 -4.929 -3.815 124 HG LEU 15 HG LEU 15 19.505 -4.999 -6.279 125 HB2 LEU 15 2HB LEU 15 18.299 -7.091 -5.830 126 HB3 LEU 15 1HB LEU 15 16.785 -6.210 -5.775 127 HD11 LEU 15 1HD1 LEU 15 18.727 -6.341 -8.148 128 HD12 LEU 15 2HD1 LEU 15 18.662 -4.622 -8.540 129 HD13 LEU 15 3HD1 LEU 15 17.182 -5.489 -8.132 130 HD21 LEU 15 1HD2 LEU 15 18.255 -2.955 -6.791 131 HD22 LEU 15 2HD2 LEU 15 18.030 -3.450 -5.114 132 HD23 LEU 15 3HD2 LEU 15 16.758 -3.748 -6.300 133 H ASN 16 H ASN 16 18.574 -8.350 -3.606 134 HA ASN 16 HA ASN 16 16.082 -9.391 -2.890 135 HB2 ASN 16 2HB ASN 16 18.054 -10.750 -3.557 136 HB3 ASN 16 1HB ASN 16 18.807 -10.371 -2.014 137 HD21 ASN 16 1HD2 ASN 16 16.372 -12.187 -3.643 138 HD22 ASN 16 2HD2 ASN 16 15.971 -13.228 -2.327 139 H ALA 17 H ALA 17 18.757 -8.275 -0.829 140 HA ALA 17 HA ALA 17 17.537 -8.816 1.640 141 HB1 ALA 17 1HB ALA 17 19.173 -7.303 2.606 142 HB2 ALA 17 2HB ALA 17 19.543 -6.651 1.011 143 HB3 ALA 17 3HB ALA 17 19.935 -8.329 1.388 144 H GLN 18 H GLN 18 17.576 -5.849 -0.314 145 HA GLN 18 HA GLN 18 16.096 -4.282 1.503 146 HB2 GLN 18 2HB GLN 18 17.478 -3.429 -0.425 147 HB3 GLN 18 1HB GLN 18 16.191 -3.956 -1.500 148 HG2 GLN 18 2HG GLN 18 14.641 -2.428 -0.470 149 HG3 GLN 18 1HG GLN 18 15.847 -1.960 0.728 150 HE21 GLN 18 1HE2 GLN 18 14.813 -1.658 -2.572 151 HE22 GLN 18 2HE2 GLN 18 15.853 -0.343 -2.984 152 H ALA 19 H ALA 19 15.111 -6.214 -1.310 153 HA ALA 19 HA ALA 19 12.380 -5.577 -1.250 154 HB1 ALA 19 1HB ALA 19 13.679 -8.131 -2.194 155 HB2 ALA 19 2HB ALA 19 13.459 -6.666 -3.149 156 HB3 ALA 19 3HB ALA 19 12.054 -7.581 -2.603 157 H THR 20 H THR 20 14.204 -8.153 0.364 158 HA THR 20 HA THR 20 11.950 -9.441 1.490 159 HB THR 20 HB THR 20 14.783 -9.424 2.555 160 HG1 THR 20 1HG THR 20 14.899 -10.171 0.466 161 HG21 THR 20 1HG2 THR 20 12.548 -11.431 2.872 162 HG22 THR 20 2HG2 THR 20 13.125 -10.327 4.120 163 HG23 THR 20 3HG2 THR 20 14.187 -11.596 3.509 164 H ALA 21 H ALA 21 14.172 -6.943 2.724 165 HA ALA 21 HA ALA 21 13.112 -6.731 5.308 166 HB1 ALA 21 1HB ALA 21 15.233 -5.714 4.651 167 HB2 ALA 21 2HB ALA 21 14.154 -4.515 5.364 168 HB3 ALA 21 3HB ALA 21 14.377 -4.573 3.615 169 H LEU 22 H LEU 22 12.276 -5.010 2.327 170 HA LEU 22 HA LEU 22 10.243 -3.413 3.483 171 HG LEU 22 HG LEU 22 12.526 -2.870 1.529 172 HB2 LEU 22 2HB LEU 22 10.682 -4.263 0.621 173 HB3 LEU 22 1HB LEU 22 9.537 -3.037 1.132 174 HD11 LEU 22 1HD1 LEU 22 12.452 -1.162 -0.225 175 HD12 LEU 22 2HD1 LEU 22 10.743 -1.504 -0.482 176 HD13 LEU 22 3HD1 LEU 22 11.950 -2.742 -0.829 177 HD21 LEU 22 1HD2 LEU 22 10.344 -0.829 1.951 178 HD22 LEU 22 2HD2 LEU 22 12.076 -0.547 2.136 179 HD23 LEU 22 3HD2 LEU 22 11.242 -1.659 3.221 180 H LYS 23 H LYS 23 10.216 -6.540 1.833 181 HA LYS 23 HA LYS 23 7.472 -6.989 1.706 182 HB2 LYS 23 2HB LYS 23 8.997 -8.483 0.606 183 HB3 LYS 23 1HB LYS 23 9.771 -8.904 2.128 184 HG2 LYS 23 2HG LYS 23 7.664 -9.962 2.860 185 HG3 LYS 23 1HG LYS 23 6.972 -9.612 1.274 186 HD2 LYS 23 2HD LYS 23 8.586 -11.021 0.194 187 HD3 LYS 23 1HD LYS 23 9.470 -11.245 1.707 188 HE2 LYS 23 2HE LYS 23 7.522 -12.377 2.665 189 HE3 LYS 23 1HE LYS 23 6.650 -12.163 1.148 190 HZ1 LYS 23 1HZ LYS 23 8.143 -13.608 0.040 191 HZ2 LYS 23 2HZ LYS 23 7.697 -14.389 1.482 192 HZ3 LYS 23 3HZ LYS 23 9.211 -13.643 1.358 193 H MET 24 H MET 24 9.752 -7.821 4.307 194 HA MET 24 HA MET 24 7.779 -8.869 6.049 195 HB2 MET 24 2HB MET 24 10.553 -7.809 6.581 196 HB3 MET 24 1HB MET 24 9.546 -8.548 7.818 197 HG2 MET 24 2HG MET 24 9.492 -10.624 6.536 198 HG3 MET 24 1HG MET 24 10.500 -9.883 5.294 199 HE1 MET 24 1HE MET 24 10.324 -10.965 9.076 200 HE2 MET 24 2HE MET 24 10.867 -9.289 9.167 201 HE3 MET 24 3HE MET 24 11.961 -10.595 9.621 202 H ASP 25 H ASP 25 9.198 -5.670 5.657 203 HA ASP 25 HA ASP 25 8.065 -4.479 7.943 204 HB2 ASP 25 2HB ASP 25 9.930 -3.501 6.606 205 HB3 ASP 25 1HB ASP 25 8.778 -3.130 5.328 206 H LEU 26 H LEU 26 6.942 -4.641 4.585 207 HA LEU 26 HA LEU 26 4.557 -3.170 4.995 208 HG LEU 26 HG LEU 26 2.804 -4.721 2.924 209 HB2 LEU 26 2HB LEU 26 5.567 -3.513 2.779 210 HB3 LEU 26 1HB LEU 26 5.230 -5.230 2.888 211 HD11 LEU 26 1HD1 LEU 26 2.910 -2.461 3.833 212 HD12 LEU 26 2HD1 LEU 26 2.042 -2.488 2.298 213 HD13 LEU 26 3HD1 LEU 26 3.702 -1.896 2.361 214 HD21 LEU 26 1HD2 LEU 26 2.635 -4.108 0.554 215 HD22 LEU 26 2HD2 LEU 26 3.886 -5.318 0.834 216 HD23 LEU 26 3HD2 LEU 26 4.334 -3.633 0.561 217 H HIS 27 H HIS 27 5.273 -6.642 5.000 218 HA HIS 27 HA HIS 27 2.640 -7.564 5.300 219 HD1 HIS 27 1HD HIS 27 5.063 -11.398 6.657 220 HD2 HIS 27 2HD HIS 27 1.384 -9.588 5.918 221 HE1 HIS 27 1HE HIS 27 3.324 -13.117 7.248 222 HE2 HIS 27 2HE HIS 27 1.108 -12.035 6.744 223 HB2 HIS 27 2HB HIS 27 4.571 -8.993 4.697 224 HB3 HIS 27 1HB HIS 27 5.189 -8.827 6.334 225 H ASP 28 H ASP 28 5.035 -6.520 7.665 226 HA ASP 28 HA ASP 28 3.409 -7.153 9.937 227 HB2 ASP 28 2HB ASP 28 5.871 -7.015 10.077 228 HB3 ASP 28 1HB ASP 28 5.786 -5.290 9.732 229 H LEU 29 H LEU 29 3.973 -4.305 7.957 230 HA LEU 29 HA LEU 29 2.651 -2.418 9.583 231 HG LEU 29 HG LEU 29 1.434 -0.627 7.415 232 HB2 LEU 29 2HB LEU 29 4.171 -1.873 7.696 233 HB3 LEU 29 1HB LEU 29 2.937 -2.415 6.575 234 HD11 LEU 29 1HD1 LEU 29 3.879 0.240 8.950 235 HD12 LEU 29 2HD1 LEU 29 2.366 -0.348 9.640 236 HD13 LEU 29 3HD1 LEU 29 2.400 1.182 8.762 237 HD21 LEU 29 1HD2 LEU 29 2.603 1.215 6.316 238 HD22 LEU 29 2HD2 LEU 29 2.773 -0.288 5.409 239 HD23 LEU 29 3HD2 LEU 29 4.111 0.304 6.393 240 H ALA 30 H ALA 30 1.493 -4.747 7.242 241 HA ALA 30 HA ALA 30 -1.141 -3.791 6.952 242 HB1 ALA 30 1HB ALA 30 -0.181 -6.651 6.833 243 HB2 ALA 30 2HB ALA 30 -0.153 -5.504 5.495 244 HB3 ALA 30 3HB ALA 30 -1.694 -6.028 6.174 245 H GLU 31 H GLU 31 0.446 -5.569 9.469 246 HA GLU 31 HA GLU 31 -1.999 -6.208 10.879 247 HB2 GLU 31 2HB GLU 31 0.847 -6.861 11.124 248 HB3 GLU 31 1HB GLU 31 0.061 -6.581 12.672 249 HG2 GLU 31 2HG GLU 31 -0.969 -8.482 10.583 250 HG3 GLU 31 1HG GLU 31 0.078 -8.951 11.924 251 H ASP 32 H ASP 32 0.244 -3.638 10.666 252 HA ASP 32 HA ASP 32 -0.565 -2.505 13.236 253 HB2 ASP 32 2HB ASP 32 1.868 -2.604 12.375 254 HB3 ASP 32 1HB ASP 32 1.400 -1.273 11.320 255 H LEU 33 H LEU 33 -2.381 -2.757 11.040 256 HA LEU 33 HA LEU 33 -2.869 -0.385 9.690 257 HG LEU 33 HG LEU 33 -3.255 -2.672 8.245 258 HB2 LEU 33 2HB LEU 33 -4.433 -2.788 10.385 259 HB3 LEU 33 1HB LEU 33 -5.362 -1.360 9.964 260 HD11 LEU 33 1HD1 LEU 33 -5.338 -3.931 8.351 261 HD12 LEU 33 2HD1 LEU 33 -5.117 -3.195 6.763 262 HD13 LEU 33 3HD1 LEU 33 -6.245 -2.482 7.918 263 HD21 LEU 33 1HD2 LEU 33 -3.214 -0.266 7.947 264 HD22 LEU 33 2HD2 LEU 33 -4.965 -0.233 7.751 265 HD23 LEU 33 3HD2 LEU 33 -3.959 -1.030 6.540 266 HA PRO 34 HA PRO 34 -4.903 3.067 10.856 267 HB2 PRO 34 2HB PRO 34 -6.394 1.629 13.028 268 HB3 PRO 34 1HB PRO 34 -6.811 3.150 12.217 269 HG2 PRO 34 2HG PRO 34 -7.579 0.598 11.338 270 HG3 PRO 34 1HG PRO 34 -7.583 2.070 10.349 271 HD2 PRO 34 2HD PRO 34 -5.985 -0.184 9.871 272 HD3 PRO 34 1HD PRO 34 -5.661 1.446 9.231 273 H THR 35 H THR 35 -2.598 1.421 12.281 274 HA THR 35 HA THR 35 -2.151 3.446 14.353 275 HB THR 35 HB THR 35 -0.586 0.900 13.905 276 HG1 THR 35 1HG THR 35 -2.671 0.316 14.497 277 HG21 THR 35 1HG2 THR 35 0.166 1.289 16.220 278 HG22 THR 35 2HG2 THR 35 -0.747 2.799 16.251 279 HG23 THR 35 3HG2 THR 35 0.622 2.618 15.153 280 H GLY 36 H GLY 36 -0.258 1.657 11.912 281 HA2 GLY 36 2HA GLY 36 1.341 4.100 11.487 282 HA3 GLY 36 1HA GLY 36 1.888 2.464 11.148 283 H TRP 37 H TRP 37 -1.297 3.572 10.263 284 HA TRP 37 HA TRP 37 -1.037 2.724 7.599 285 HD1 TRP 37 HD TRP 37 -3.432 4.301 11.006 286 HE1 TRP 37 1HE TRP 37 -4.297 6.693 11.436 287 HE3 TRP 37 3HE TRP 37 -3.302 6.079 6.209 288 HZ2 TRP 37 2HZ TRP 37 -4.830 9.015 9.938 289 HZ3 TRP 37 3HZ TRP 37 -4.000 8.402 5.798 290 HH2 TRP 37 HH TRP 37 -4.749 9.837 7.626 291 HB2 TRP 37 2HB TRP 37 -3.233 3.720 7.233 292 HB3 TRP 37 1HB TRP 37 -3.203 2.849 8.761 293 H ASN 38 H ASN 38 -0.207 5.682 9.124 294 HA ASN 38 HA ASN 38 -0.446 7.417 6.930 295 HB2 ASN 38 2HB ASN 38 0.903 8.932 8.261 296 HB3 ASN 38 1HB ASN 38 -0.320 8.184 9.263 297 HD21 ASN 38 1HD2 ASN 38 2.313 9.425 9.857 298 HD22 ASN 38 2HD2 ASN 38 3.187 8.232 10.762 299 H ARG 39 H ARG 39 1.886 4.997 7.745 300 HA ARG 39 HA ARG 39 3.782 6.183 5.829 301 HE ARG 39 HE ARG 39 8.395 5.246 6.159 302 HB2 ARG 39 2HB ARG 39 4.545 5.485 8.184 303 HB3 ARG 39 1HB ARG 39 4.402 3.828 7.603 304 HG2 ARG 39 2HG ARG 39 5.999 4.290 5.831 305 HG3 ARG 39 1HG ARG 39 6.123 5.966 6.360 306 HD2 ARG 39 2HD ARG 39 6.988 5.155 8.544 307 HD3 ARG 39 1HD ARG 39 6.971 3.511 7.893 308 HH11 ARG 39 1HH1 ARG 39 8.739 3.669 9.276 309 HH12 ARG 39 2HH1 ARG 39 10.468 3.567 9.172 310 HH21 ARG 39 1HH2 ARG 39 10.636 5.102 6.005 311 HH22 ARG 39 2HH2 ARG 39 11.559 4.389 7.300 312 H ILE 40 H ILE 40 1.252 4.243 5.661 313 HA ILE 40 HA ILE 40 2.069 1.878 4.427 314 HB ILE 40 HB ILE 40 -0.448 3.501 4.172 315 HG12 ILE 40 2HG1 ILE 40 0.200 0.809 5.390 316 HG13 ILE 40 1HG1 ILE 40 -0.108 2.307 6.265 317 HG21 ILE 40 1HG2 ILE 40 -1.460 1.693 2.887 318 HG22 ILE 40 2HG2 ILE 40 0.097 0.863 2.816 319 HG23 ILE 40 3HG2 ILE 40 -0.112 2.418 2.009 320 HD11 ILE 40 1HD1 ILE 40 -2.405 2.305 5.455 321 HD12 ILE 40 2HD1 ILE 40 -2.029 0.815 6.320 322 HD13 ILE 40 3HD1 ILE 40 -2.093 0.820 4.556 323 H MET 41 H MET 41 1.375 5.042 2.983 324 HA MET 41 HA MET 41 1.624 4.337 0.293 325 HB2 MET 41 2HB MET 41 0.716 6.486 0.995 326 HB3 MET 41 1HB MET 41 2.273 6.959 1.655 327 HG2 MET 41 2HG MET 41 1.949 8.061 -0.437 328 HG3 MET 41 1HG MET 41 3.226 6.857 -0.622 329 HE1 MET 41 1HE MET 41 -1.078 6.398 -2.237 330 HE2 MET 41 2HE MET 41 -0.474 7.824 -1.390 331 HE3 MET 41 3HE MET 41 -0.705 6.311 -0.515 332 H GLU 42 H GLU 42 4.103 5.455 2.570 333 HA GLU 42 HA GLU 42 6.210 5.617 0.723 334 HB2 GLU 42 2HB GLU 42 6.214 6.576 3.042 335 HB3 GLU 42 1HB GLU 42 6.413 4.947 3.662 336 HG2 GLU 42 2HG GLU 42 8.495 4.875 2.126 337 HG3 GLU 42 1HG GLU 42 8.345 6.632 2.140 338 H VAL 43 H VAL 43 5.427 3.084 3.072 339 HA VAL 43 HA VAL 43 7.445 1.304 2.336 340 HB VAL 43 HB VAL 43 4.743 0.585 3.475 341 HG11 VAL 43 1HG1 VAL 43 5.896 -1.368 4.389 342 HG12 VAL 43 2HG1 VAL 43 7.389 -0.863 3.598 343 HG13 VAL 43 3HG1 VAL 43 5.994 -1.336 2.629 344 HG21 VAL 43 1HG2 VAL 43 5.820 2.302 4.813 345 HG22 VAL 43 2HG2 VAL 43 7.303 1.349 4.873 346 HG23 VAL 43 3HG2 VAL 43 5.840 0.754 5.660 347 H ALA 44 H ALA 44 4.095 1.546 1.213 348 HA ALA 44 HA ALA 44 4.059 -0.741 -0.398 349 HB1 ALA 44 1HB ALA 44 2.040 0.477 0.202 350 HB2 ALA 44 2HB ALA 44 2.166 0.283 -1.546 351 HB3 ALA 44 3HB ALA 44 2.547 1.836 -0.801 352 H GLU 45 H GLU 45 4.836 2.636 -1.278 353 HA GLU 45 HA GLU 45 5.291 2.165 -4.000 354 HB2 GLU 45 2HB GLU 45 5.101 4.418 -2.943 355 HB3 GLU 45 1HB GLU 45 6.707 4.197 -2.263 356 HG2 GLU 45 2HG GLU 45 7.597 3.972 -4.559 357 HG3 GLU 45 1HG GLU 45 5.990 4.335 -5.181 358 H LYS 46 H LYS 46 7.598 2.219 -1.304 359 HA LYS 46 HA LYS 46 9.910 1.681 -2.780 360 HB2 LYS 46 2HB LYS 46 9.282 0.957 0.072 361 HB3 LYS 46 1HB LYS 46 10.886 0.960 -0.647 362 HG2 LYS 46 2HG LYS 46 10.615 3.375 -1.118 363 HG3 LYS 46 1HG LYS 46 9.080 3.328 -0.250 364 HD2 LYS 46 2HD LYS 46 11.780 2.637 0.899 365 HD3 LYS 46 1HD LYS 46 10.892 4.134 1.152 366 HE2 LYS 46 2HE LYS 46 9.071 2.863 2.205 367 HE3 LYS 46 1HE LYS 46 9.989 1.377 1.966 368 HZ1 LYS 46 1HZ LYS 46 10.361 2.050 4.179 369 HZ2 LYS 46 2HZ LYS 46 10.647 3.663 3.736 370 HZ3 LYS 46 3HZ LYS 46 11.781 2.459 3.339 371 H THR 47 H THR 47 7.698 -0.536 -1.099 372 HA THR 47 HA THR 47 9.159 -2.888 -1.572 373 HB THR 47 HB THR 47 6.162 -2.650 -1.240 374 HG1 THR 47 1HG THR 47 7.009 -1.666 0.534 375 HG21 THR 47 1HG2 THR 47 6.940 -4.870 -1.942 376 HG22 THR 47 2HG2 THR 47 6.330 -4.892 -0.287 377 HG23 THR 47 3HG2 THR 47 8.068 -4.902 -0.588 378 H TYR 48 H TYR 48 6.529 -1.351 -3.429 379 HA TYR 48 HA TYR 48 6.378 -3.363 -5.412 380 HD1 TYR 48 2HD TYR 48 4.136 -3.510 -6.975 381 HD2 TYR 48 1HD TYR 48 5.981 0.233 -7.791 382 HE1 TYR 48 2HE TYR 48 3.606 -3.775 -9.362 383 HE2 TYR 48 1HE TYR 48 5.462 -0.023 -10.178 384 HH TYR 48 HH TYR 48 3.311 -2.361 -11.370 385 HB2 TYR 48 2HB TYR 48 4.572 -1.759 -5.171 386 HB3 TYR 48 1HB TYR 48 5.657 -0.426 -5.561 387 H GLU 49 H GLU 49 8.199 -0.322 -5.235 388 HA GLU 49 HA GLU 49 9.369 -0.454 -7.768 389 HB2 GLU 49 2HB GLU 49 10.161 0.871 -5.192 390 HB3 GLU 49 1HB GLU 49 11.170 0.987 -6.619 391 HG2 GLU 49 2HG GLU 49 8.342 1.947 -6.308 392 HG3 GLU 49 1HG GLU 49 9.793 2.931 -6.495 393 H ALA 50 H ALA 50 10.337 -1.873 -4.691 394 HA ALA 50 HA ALA 50 12.857 -2.833 -5.533 395 HB1 ALA 50 1HB ALA 50 12.198 -2.709 -3.174 396 HB2 ALA 50 2HB ALA 50 12.734 -4.332 -3.614 397 HB3 ALA 50 3HB ALA 50 11.014 -3.989 -3.438 398 H TYR 51 H TYR 51 9.633 -4.390 -5.531 399 HA TYR 51 HA TYR 51 10.445 -6.824 -6.679 400 HD1 TYR 51 2HD TYR 51 9.787 -8.022 -5.191 401 HD2 TYR 51 1HD TYR 51 6.250 -5.658 -5.140 402 HE1 TYR 51 2HE TYR 51 9.265 -8.860 -2.937 403 HE2 TYR 51 1HE TYR 51 5.722 -6.490 -2.889 404 HH TYR 51 HH TYR 51 6.206 -8.287 -1.435 405 HB2 TYR 51 2HB TYR 51 7.805 -5.360 -6.866 406 HB3 TYR 51 1HB TYR 51 8.063 -7.003 -7.425 407 H ARG 52 H ARG 52 9.346 -3.785 -8.099 408 HA ARG 52 HA ARG 52 9.420 -4.447 -10.801 409 HE ARG 52 HE ARG 52 10.757 -0.061 -13.265 410 HB2 ARG 52 2HB ARG 52 8.511 -2.340 -10.133 411 HB3 ARG 52 1HB ARG 52 10.012 -1.866 -9.352 412 HG2 ARG 52 2HG ARG 52 11.064 -1.954 -11.660 413 HG3 ARG 52 1HG ARG 52 9.415 -2.039 -12.285 414 HD2 ARG 52 2HD ARG 52 8.870 0.058 -11.192 415 HD3 ARG 52 1HD ARG 52 10.481 0.130 -10.483 416 HH11 ARG 52 1HH1 ARG 52 9.758 2.193 -10.773 417 HH12 ARG 52 2HH1 ARG 52 9.955 3.600 -11.782 418 HH21 ARG 52 1HH2 ARG 52 11.056 1.799 -14.583 419 HH22 ARG 52 2HH2 ARG 52 10.710 3.371 -13.939 420 H GLN 53 H GLN 53 11.983 -2.955 -8.843 421 HA GLN 53 HA GLN 53 13.961 -3.001 -10.841 422 HB2 GLN 53 2HB GLN 53 14.058 -2.808 -7.841 423 HB3 GLN 53 1HB GLN 53 15.526 -2.812 -8.802 424 HG2 GLN 53 2HG GLN 53 14.630 -0.850 -10.053 425 HG3 GLN 53 1HG GLN 53 13.280 -0.816 -8.918 426 HE21 GLN 53 1HE2 GLN 53 16.527 -1.672 -7.984 427 HE22 GLN 53 2HE2 GLN 53 16.838 -0.261 -7.038 428 H LEU 54 H LEU 54 12.953 -5.421 -8.517 429 HA LEU 54 HA LEU 54 15.174 -7.157 -8.868 430 HG LEU 54 HG LEU 54 13.917 -9.848 -8.387 431 HB2 LEU 54 2HB LEU 54 13.471 -7.203 -6.994 432 HB3 LEU 54 1HB LEU 54 12.359 -7.945 -8.129 433 HD11 LEU 54 1HD1 LEU 54 15.779 -10.086 -6.810 434 HD12 LEU 54 2HD1 LEU 54 15.477 -8.451 -6.217 435 HD13 LEU 54 3HD1 LEU 54 16.001 -8.703 -7.882 436 HD21 LEU 54 1HD2 LEU 54 13.492 -10.848 -6.218 437 HD22 LEU 54 2HD2 LEU 54 12.090 -9.915 -6.745 438 HD23 LEU 54 3HD2 LEU 54 13.181 -9.258 -5.523 439 H ASP 55 H ASP 55 11.968 -6.960 -10.358 440 HA ASP 55 HA ASP 55 12.345 -9.129 -12.160 441 HB2 ASP 55 2HB ASP 55 10.105 -8.398 -11.617 442 HB3 ASP 55 1HB ASP 55 10.442 -6.778 -12.221 443 H GLU 56 H GLU 56 12.935 -5.655 -12.353 444 HA GLU 56 HA GLU 56 13.721 -5.730 -15.091 445 HB2 GLU 56 2HB GLU 56 14.026 -3.702 -12.902 446 HB3 GLU 56 1HB GLU 56 14.816 -3.471 -14.456 447 HG2 GLU 56 2HG GLU 56 12.525 -3.840 -15.496 448 HG3 GLU 56 1HG GLU 56 11.882 -3.669 -13.866 449 H PHE 57 H PHE 57 15.339 -6.415 -12.092 450 HA PHE 57 HA PHE 57 17.974 -6.483 -13.181 451 HD1 PHE 57 2HD PHE 57 19.947 -6.092 -11.039 452 HD2 PHE 57 1HD PHE 57 18.232 -9.985 -11.055 453 HE1 PHE 57 2HE PHE 57 22.179 -7.071 -10.732 454 HE2 PHE 57 1HE PHE 57 20.463 -10.975 -10.741 455 HZ PHE 57 HZ PHE 57 22.442 -9.515 -10.582 456 HB2 PHE 57 2HB PHE 57 17.553 -6.431 -10.734 457 HB3 PHE 57 1HB PHE 57 16.851 -8.043 -10.834 458 H ARG 58 H ARG 58 15.378 -8.853 -12.758 459 HA ARG 58 HA ARG 58 16.539 -11.075 -13.954 460 HE ARG 58 HE ARG 58 16.401 -12.233 -11.254 461 HB2 ARG 58 2HB ARG 58 13.697 -10.032 -14.104 462 HB3 ARG 58 1HB ARG 58 14.184 -11.618 -14.649 463 HG2 ARG 58 2HG ARG 58 14.616 -10.736 -11.823 464 HG3 ARG 58 1HG ARG 58 13.083 -11.418 -12.364 465 HD2 ARG 58 2HD ARG 58 14.164 -13.290 -11.585 466 HD3 ARG 58 1HD ARG 58 14.577 -13.334 -13.296 467 HH11 ARG 58 1HH1 ARG 58 15.768 -14.257 -14.042 468 HH12 ARG 58 2HH1 ARG 58 17.415 -14.777 -14.215 469 HH21 ARG 58 1HH2 ARG 58 18.570 -12.935 -11.453 470 HH22 ARG 58 2HH2 ARG 58 19.004 -14.041 -12.715 471 H LYS 59 H LYS 59 14.795 -8.350 -15.379 472 HA LYS 59 HA LYS 59 14.975 -9.102 -18.076 473 HB2 LYS 59 2HB LYS 59 13.401 -7.455 -17.453 474 HB3 LYS 59 1HB LYS 59 14.620 -6.467 -16.670 475 HG2 LYS 59 2HG LYS 59 15.006 -6.900 -19.552 476 HG3 LYS 59 1HG LYS 59 13.586 -5.956 -19.093 477 HD2 LYS 59 2HD LYS 59 15.086 -4.545 -17.676 478 HD3 LYS 59 1HD LYS 59 16.460 -5.411 -18.367 479 HE2 LYS 59 2HE LYS 59 15.869 -4.648 -20.582 480 HE3 LYS 59 1HE LYS 59 14.418 -3.870 -19.953 481 HZ1 LYS 59 1HZ LYS 59 15.873 -2.438 -18.596 482 HZ2 LYS 59 2HZ LYS 59 16.142 -2.235 -20.258 483 HZ3 LYS 59 3HZ LYS 59 17.230 -3.145 -19.326 484 H SER 60 H SER 60 17.180 -7.291 -16.014 485 HA SER 60 HA SER 60 18.936 -6.431 -18.044 486 HG SER 60 HG SER 60 20.914 -5.471 -17.076 487 HB2 SER 60 2HB SER 60 18.873 -5.383 -15.828 488 HB3 SER 60 1HB SER 60 19.441 -6.879 -15.093 489 H THR 61 H THR 61 18.886 -9.314 -16.006 490 HA THR 61 HA THR 61 21.438 -10.190 -17.062 491 HB THR 61 HB THR 61 20.838 -10.472 -14.654 492 HG1 THR 61 1HG THR 61 21.240 -13.075 -15.640 493 HG21 THR 61 1HG2 THR 61 18.999 -12.622 -15.689 494 HG22 THR 61 2HG2 THR 61 18.511 -11.128 -14.888 495 HG23 THR 61 3HG2 THR 61 19.423 -12.349 -14.000 496 H ALA 62 H ALA 62 18.031 -11.056 -17.447 497 HA ALA 62 HA ALA 62 18.476 -13.573 -18.674 498 HB1 ALA 62 1HB ALA 62 16.135 -13.472 -19.339 499 HB2 ALA 62 2HB ALA 62 16.074 -11.767 -18.896 500 HB3 ALA 62 3HB ALA 62 16.338 -12.992 -17.654 501 H SER 63 H SER 63 18.550 -10.332 -19.894 502 HA SER 63 HA SER 63 18.297 -11.095 -22.653 503 HG SER 63 HG SER 63 18.351 -8.229 -20.351 504 HB2 SER 63 2HB SER 63 19.185 -8.681 -22.972 505 HB3 SER 63 1HB SER 63 17.600 -8.899 -22.234 506 H LEU 64 H LEU 64 20.804 -10.957 -20.326 507 HA LEU 64 HA LEU 64 22.907 -11.067 -22.338 508 HG LEU 64 HG LEU 64 24.570 -8.992 -19.818 509 HB2 LEU 64 2HB LEU 64 22.838 -10.687 -19.390 510 HB3 LEU 64 1HB LEU 64 24.288 -11.374 -20.091 511 HD11 LEU 64 1HD1 LEU 64 25.627 -10.004 -21.751 512 HD12 LEU 64 2HD1 LEU 64 25.115 -8.356 -22.116 513 HD13 LEU 64 3HD1 LEU 64 24.175 -9.724 -22.712 514 HD21 LEU 64 1HD2 LEU 64 23.162 -7.389 -21.048 515 HD22 LEU 64 2HD2 LEU 64 22.265 -8.280 -19.819 516 HD23 LEU 64 3HD2 LEU 64 22.100 -8.715 -21.520 517 H GLU 65 H GLU 65 21.431 -13.096 -19.867 518 HA GLU 65 HA GLU 65 23.179 -15.296 -20.305 519 HB2 GLU 65 2HB GLU 65 20.551 -15.034 -18.858 520 HB3 GLU 65 1HB GLU 65 21.514 -16.491 -18.877 521 HG2 GLU 65 2HG GLU 65 23.346 -15.313 -17.774 522 HG3 GLU 65 1HG GLU 65 22.376 -13.839 -17.764 523 H HIS 66 H HIS 66 20.434 -14.124 -21.870 524 HA HIS 66 HA HIS 66 20.203 -16.615 -23.392 525 HD1 HIS 66 1HD HIS 66 17.156 -18.424 -22.764 526 HD2 HIS 66 2HD HIS 66 18.921 -16.072 -19.819 527 HE1 HIS 66 1HE HIS 66 17.074 -19.795 -20.651 528 HE2 HIS 66 2HE HIS 66 18.318 -18.420 -18.932 529 HB2 HIS 66 2HB HIS 66 17.921 -14.926 -22.356 530 HB3 HIS 66 1HB HIS 66 17.742 -16.156 -23.591 531 H HIS 67 H HIS 67 18.273 -13.706 -23.735 532 HA HIS 67 HA HIS 67 19.659 -12.356 -25.728 533 HD1 HIS 67 1HD HIS 67 20.510 -12.479 -28.534 534 HD2 HIS 67 2HD HIS 67 16.386 -12.985 -28.773 535 HE1 HIS 67 1HE HIS 67 19.805 -11.339 -30.665 536 HE2 HIS 67 2HE HIS 67 17.336 -11.813 -30.875 537 HB2 HIS 67 2HB HIS 67 19.442 -14.447 -27.041 538 HB3 HIS 67 1HB HIS 67 17.697 -14.388 -26.850 539 H HIS 68 H HIS 68 16.340 -13.612 -25.498 540 HA HIS 68 HA HIS 68 15.330 -11.072 -24.522 541 HD1 HIS 68 1HD HIS 68 12.721 -9.267 -26.627 542 HD2 HIS 68 2HD HIS 68 16.856 -9.525 -26.969 543 HE1 HIS 68 1HE HIS 68 13.512 -6.920 -27.057 544 HE2 HIS 68 2HE HIS 68 16.023 -7.084 -27.243 545 HB2 HIS 68 2HB HIS 68 15.038 -11.896 -27.323 546 HB3 HIS 68 1HB HIS 68 13.494 -11.598 -26.535 547 H HIS 69 H HIS 69 13.279 -11.327 -23.496 548 HA HIS 69 HA HIS 69 12.652 -14.156 -23.026 549 HD1 HIS 69 1HD HIS 69 13.169 -10.501 -20.123 550 HD2 HIS 69 2HD HIS 69 9.541 -11.377 -21.952 551 HE1 HIS 69 1HE HIS 69 11.762 -8.437 -19.856 552 HE2 HIS 69 2HE HIS 69 9.502 -9.061 -20.789 553 HB2 HIS 69 2HB HIS 69 11.542 -13.495 -20.981 554 HB3 HIS 69 1HB HIS 69 13.150 -12.795 -21.018 555 H HIS 70 H HIS 70 10.687 -15.040 -23.385 556 HA HIS 70 HA HIS 70 8.673 -13.348 -24.699 557 HD1 HIS 70 1HD HIS 70 8.095 -14.905 -27.697 558 HD2 HIS 70 2HD HIS 70 11.380 -16.362 -25.597 559 HE1 HIS 70 1HE HIS 70 9.903 -15.260 -29.414 560 HE2 HIS 70 2HE HIS 70 11.785 -16.368 -28.151 561 HB2 HIS 70 2HB HIS 70 8.771 -16.365 -24.396 562 HB3 HIS 70 1HB HIS 70 7.562 -15.468 -25.303 563 H HIS 71 H HIS 71 8.534 -16.147 -22.554 564 HA HIS 71 HA HIS 71 7.410 -14.605 -20.392 565 HD1 HIS 71 1HD HIS 71 3.852 -15.188 -22.882 566 HD2 HIS 71 2HD HIS 71 5.420 -13.528 -19.408 567 HE1 HIS 71 1HE HIS 71 2.544 -13.077 -22.486 568 HE2 HIS 71 2HE HIS 71 3.389 -12.192 -20.282 569 HB2 HIS 71 2HB HIS 71 5.778 -16.484 -22.019 570 HB3 HIS 71 1HB HIS 71 5.591 -16.573 -20.271 571 HA MET 1 HA MET 1 -23.133 23.475 4.744 572 H1 MET 1 1H MET 1 -22.834 25.816 5.054 573 H2 MET 1 2H MET 1 -23.525 25.744 6.599 574 H3 MET 1 3H MET 1 -24.474 25.424 5.233 575 HB2 MET 1 2HB MET 1 -21.057 24.141 5.798 576 HB3 MET 1 1HB MET 1 -21.832 24.196 7.375 577 HG2 MET 1 2HG MET 1 -20.469 22.195 7.119 578 HG3 MET 1 1HG MET 1 -22.172 21.794 7.321 579 HE1 MET 1 1HE MET 1 -20.090 19.671 6.320 580 HE2 MET 1 2HE MET 1 -20.948 18.938 4.965 581 HE3 MET 1 3HE MET 1 -21.815 19.331 6.452 582 H SER 2 H SER 2 -24.996 22.410 4.817 583 HA SER 2 HA SER 2 -25.944 21.546 7.459 584 HG SER 2 HG SER 2 -26.765 24.151 5.899 585 HB2 SER 2 2HB SER 2 -27.835 22.242 5.216 586 HB3 SER 2 1HB SER 2 -28.225 21.925 6.903 587 H GLU 3 H GLU 3 -26.282 19.428 7.583 588 HA GLU 3 HA GLU 3 -27.038 17.855 5.293 589 HB2 GLU 3 2HB GLU 3 -24.616 17.867 5.023 590 HB3 GLU 3 1HB GLU 3 -24.398 17.385 6.699 591 HG2 GLU 3 2HG GLU 3 -25.249 15.218 6.289 592 HG3 GLU 3 1HG GLU 3 -25.860 15.679 4.701 593 H GLY 4 H GLY 4 -28.283 16.172 5.917 594 HA2 GLY 4 2HA GLY 4 -29.165 16.090 8.606 595 HA3 GLY 4 1HA GLY 4 -29.653 15.002 7.315 596 H ALA 5 H ALA 5 -28.920 14.607 10.150 597 HA ALA 5 HA ALA 5 -26.462 13.232 10.340 598 HB1 ALA 5 1HB ALA 5 -27.689 14.068 12.294 599 HB2 ALA 5 2HB ALA 5 -27.312 12.353 12.440 600 HB3 ALA 5 3HB ALA 5 -28.945 12.860 12.012 601 H GLU 6 H GLU 6 -29.458 12.388 8.960 602 HA GLU 6 HA GLU 6 -29.263 9.557 9.172 603 HB2 GLU 6 2HB GLU 6 -30.783 11.227 7.160 604 HB3 GLU 6 1HB GLU 6 -31.058 9.525 7.521 605 HG2 GLU 6 2HG GLU 6 -31.677 10.105 9.796 606 HG3 GLU 6 1HG GLU 6 -31.409 11.807 9.447 607 H GLU 7 H GLU 7 -28.656 11.834 6.508 608 HA GLU 7 HA GLU 7 -27.440 9.995 4.784 609 HB2 GLU 7 2HB GLU 7 -27.257 12.976 5.090 610 HB3 GLU 7 1HB GLU 7 -26.290 12.127 3.908 611 HG2 GLU 7 2HG GLU 7 -28.458 11.152 3.039 612 HG3 GLU 7 1HG GLU 7 -29.267 12.355 4.045 613 H LEU 8 H LEU 8 -26.142 12.035 7.351 614 HA LEU 8 HA LEU 8 -23.435 11.557 7.072 615 HG LEU 8 HG LEU 8 -22.269 12.862 8.697 616 HB2 LEU 8 2HB LEU 8 -24.804 13.051 8.712 617 HB3 LEU 8 1HB LEU 8 -24.797 11.641 9.750 618 HD11 LEU 8 1HD1 LEU 8 -23.719 13.497 11.265 619 HD12 LEU 8 2HD1 LEU 8 -23.462 14.599 9.912 620 HD13 LEU 8 3HD1 LEU 8 -22.087 14.031 10.860 621 HD21 LEU 8 1HD2 LEU 8 -22.096 10.583 9.578 622 HD22 LEU 8 2HD2 LEU 8 -22.851 11.107 11.084 623 HD23 LEU 8 3HD2 LEU 8 -21.266 11.733 10.628 624 H LYS 9 H LYS 9 -25.862 9.735 8.879 625 HA LYS 9 HA LYS 9 -24.219 7.686 9.864 626 HB2 LYS 9 2HB LYS 9 -26.474 8.205 10.686 627 HB3 LYS 9 1HB LYS 9 -27.157 7.676 9.165 628 HG2 LYS 9 2HG LYS 9 -26.324 5.398 9.621 629 HG3 LYS 9 1HG LYS 9 -25.761 5.958 11.201 630 HD2 LYS 9 2HD LYS 9 -28.026 6.593 11.809 631 HD3 LYS 9 1HD LYS 9 -28.606 6.124 10.211 632 HE2 LYS 9 2HE LYS 9 -27.876 3.805 10.690 633 HE3 LYS 9 1HE LYS 9 -27.456 4.317 12.328 634 HZ1 LYS 9 1HZ LYS 9 -30.160 4.483 11.108 635 HZ2 LYS 9 2HZ LYS 9 -29.761 4.958 12.683 636 HZ3 LYS 9 3HZ LYS 9 -29.665 3.321 12.237 637 H ALA 10 H ALA 10 -26.338 7.740 7.016 638 HA ALA 10 HA ALA 10 -25.748 5.169 6.090 639 HB1 ALA 10 1HB ALA 10 -27.632 6.498 5.271 640 HB2 ALA 10 2HB ALA 10 -26.632 5.908 3.942 641 HB3 ALA 10 3HB ALA 10 -26.512 7.591 4.460 642 H LYS 11 H LYS 11 -24.136 8.260 5.477 643 HA LYS 11 HA LYS 11 -22.325 7.189 3.544 644 HB2 LYS 11 2HB LYS 11 -22.902 9.590 3.652 645 HB3 LYS 11 1HB LYS 11 -22.056 9.711 5.184 646 HG2 LYS 11 2HG LYS 11 -19.963 9.315 4.186 647 HG3 LYS 11 1HG LYS 11 -20.699 8.768 2.680 648 HD2 LYS 11 2HD LYS 11 -20.880 11.575 3.770 649 HD3 LYS 11 1HD LYS 11 -19.742 11.048 2.527 650 HE2 LYS 11 2HE LYS 11 -21.691 10.336 1.150 651 HE3 LYS 11 1HE LYS 11 -22.746 11.060 2.362 652 HZ1 LYS 11 1HZ LYS 11 -22.413 12.600 0.581 653 HZ2 LYS 11 2HZ LYS 11 -20.732 12.461 0.699 654 HZ3 LYS 11 3HZ LYS 11 -21.607 13.196 1.954 655 H LEU 12 H LEU 12 -22.046 8.030 6.977 656 HA LEU 12 HA LEU 12 -19.403 7.274 7.407 657 HG LEU 12 HG LEU 12 -19.817 5.682 10.109 658 HB2 LEU 12 2HB LEU 12 -20.788 8.365 9.108 659 HB3 LEU 12 1HB LEU 12 -21.775 6.925 9.249 660 HD11 LEU 12 1HD1 LEU 12 -18.452 8.367 10.039 661 HD12 LEU 12 2HD1 LEU 12 -18.059 6.973 9.035 662 HD13 LEU 12 3HD1 LEU 12 -17.814 6.899 10.780 663 HD21 LEU 12 1HD2 LEU 12 -21.386 6.699 11.662 664 HD22 LEU 12 2HD2 LEU 12 -20.478 8.210 11.614 665 HD23 LEU 12 3HD2 LEU 12 -19.744 6.761 12.303 666 H LYS 13 H LYS 13 -22.339 5.289 7.534 667 HA LYS 13 HA LYS 13 -21.166 2.804 8.049 668 HB2 LYS 13 2HB LYS 13 -23.605 3.258 8.030 669 HB3 LYS 13 1HB LYS 13 -23.549 3.394 6.282 670 HG2 LYS 13 2HG LYS 13 -22.937 1.085 6.061 671 HG3 LYS 13 1HG LYS 13 -22.806 0.913 7.813 672 HD2 LYS 13 2HD LYS 13 -25.183 1.337 8.058 673 HD3 LYS 13 1HD LYS 13 -25.335 1.617 6.323 674 HE2 LYS 13 2HE LYS 13 -24.432 -0.973 7.573 675 HE3 LYS 13 1HE LYS 13 -26.077 -0.639 7.031 676 HZ1 LYS 13 1HZ LYS 13 -23.767 -0.404 5.206 677 HZ2 LYS 13 2HZ LYS 13 -25.407 -0.553 4.814 678 HZ3 LYS 13 3HZ LYS 13 -24.558 -1.879 5.445 679 H LYS 14 H LYS 14 -21.866 4.368 4.959 680 HA LYS 14 HA LYS 14 -20.843 2.430 3.225 681 HB2 LYS 14 2HB LYS 14 -22.228 4.333 2.518 682 HB3 LYS 14 1HB LYS 14 -20.923 5.439 2.907 683 HG2 LYS 14 2HG LYS 14 -20.986 5.151 0.548 684 HG3 LYS 14 1HG LYS 14 -19.548 4.337 1.162 685 HD2 LYS 14 2HD LYS 14 -20.507 2.205 0.884 686 HD3 LYS 14 1HD LYS 14 -22.127 2.875 0.676 687 HE2 LYS 14 2HE LYS 14 -21.170 2.120 -1.450 688 HE3 LYS 14 1HE LYS 14 -21.476 3.854 -1.446 689 HZ1 LYS 14 1HZ LYS 14 -18.837 2.530 -1.083 690 HZ2 LYS 14 2HZ LYS 14 -19.103 4.201 -0.961 691 HZ3 LYS 14 3HZ LYS 14 -19.353 3.410 -2.437 692 H LEU 15 H LEU 15 -19.237 5.251 4.665 693 HA LEU 15 HA LEU 15 -16.724 4.874 3.440 694 HG LEU 15 HG LEU 15 -18.620 7.316 4.297 695 HB2 LEU 15 2HB LEU 15 -17.362 6.205 6.074 696 HB3 LEU 15 1HB LEU 15 -15.878 6.399 5.169 697 HD11 LEU 15 1HD1 LEU 15 -17.693 8.670 6.088 698 HD12 LEU 15 2HD1 LEU 15 -17.681 9.561 4.566 699 HD13 LEU 15 3HD1 LEU 15 -16.187 8.858 5.189 700 HD21 LEU 15 1HD2 LEU 15 -17.490 8.357 2.416 701 HD22 LEU 15 2HD2 LEU 15 -17.236 6.611 2.396 702 HD23 LEU 15 3HD2 LEU 15 -15.947 7.684 2.946 703 H ASN 16 H ASN 16 -18.027 3.851 6.563 704 HA ASN 16 HA ASN 16 -15.707 2.652 7.594 705 HB2 ASN 16 2HB ASN 16 -17.859 3.168 8.833 706 HB3 ASN 16 1HB ASN 16 -18.552 1.737 8.084 707 HD21 ASN 16 1HD2 ASN 16 -18.091 2.393 10.886 708 HD22 ASN 16 2HD2 ASN 16 -17.123 1.117 11.527 709 H ALA 17 H ALA 17 -18.346 1.310 5.640 710 HA ALA 17 HA ALA 17 -17.401 -1.330 5.504 711 HB1 ALA 17 1HB ALA 17 -19.011 0.187 3.451 712 HB2 ALA 17 2HB ALA 17 -19.663 -0.664 4.850 713 HB3 ALA 17 3HB ALA 17 -18.859 -1.567 3.567 714 H GLN 18 H GLN 18 -16.812 1.474 3.412 715 HA GLN 18 HA GLN 18 -15.232 0.167 1.492 716 HB2 GLN 18 2HB GLN 18 -16.170 2.367 1.084 717 HB3 GLN 18 1HB GLN 18 -15.218 3.052 2.392 718 HG2 GLN 18 2HG GLN 18 -13.176 2.623 1.172 719 HG3 GLN 18 1HG GLN 18 -14.084 1.834 -0.116 720 HE21 GLN 18 1HE2 GLN 18 -16.264 3.749 0.003 721 HE22 GLN 18 2HE2 GLN 18 -15.674 5.203 -0.730 722 H ALA 19 H ALA 19 -14.332 1.957 4.429 723 HA ALA 19 HA ALA 19 -11.553 1.646 4.207 724 HB1 ALA 19 1HB ALA 19 -13.237 1.906 6.697 725 HB2 ALA 19 2HB ALA 19 -12.566 3.231 5.746 726 HB3 ALA 19 3HB ALA 19 -11.492 2.134 6.613 727 H THR 20 H THR 20 -14.047 -0.484 5.403 728 HA THR 20 HA THR 20 -12.264 -2.357 6.631 729 HB THR 20 HB THR 20 -15.128 -2.759 5.736 730 HG1 THR 20 1HG THR 20 -14.960 -1.079 7.270 731 HG21 THR 20 1HG2 THR 20 -13.963 -4.880 6.132 732 HG22 THR 20 2HG2 THR 20 -15.159 -4.579 7.393 733 HG23 THR 20 3HG2 THR 20 -13.447 -4.308 7.719 734 H ALA 21 H ALA 21 -13.788 -2.036 3.468 735 HA ALA 21 HA ALA 21 -13.164 -4.549 2.406 736 HB1 ALA 21 1HB ALA 21 -13.359 -1.911 0.950 737 HB2 ALA 21 2HB ALA 21 -14.706 -2.986 1.326 738 HB3 ALA 21 3HB ALA 21 -13.444 -3.510 0.212 739 H LEU 22 H LEU 22 -11.344 -1.487 2.163 740 HA LEU 22 HA LEU 22 -9.100 -2.593 0.861 741 HG LEU 22 HG LEU 22 -8.799 1.059 0.418 742 HB2 LEU 22 2HB LEU 22 -9.532 -0.103 2.476 743 HB3 LEU 22 1HB LEU 22 -7.918 -0.544 1.957 744 HD11 LEU 22 1HD1 LEU 22 -8.885 -1.688 -0.811 745 HD12 LEU 22 2HD1 LEU 22 -7.440 -0.717 -0.531 746 HD13 LEU 22 3HD1 LEU 22 -8.661 -0.168 -1.679 747 HD21 LEU 22 1HD2 LEU 22 -10.832 0.662 -0.886 748 HD22 LEU 22 2HD2 LEU 22 -11.175 0.774 0.841 749 HD23 LEU 22 3HD2 LEU 22 -11.143 -0.802 0.047 750 H LYS 23 H LYS 23 -9.904 -2.142 4.256 751 HA LYS 23 HA LYS 23 -7.489 -2.888 5.432 752 HB2 LYS 23 2HB LYS 23 -9.419 -1.917 6.646 753 HB3 LYS 23 1HB LYS 23 -10.295 -3.426 6.439 754 HG2 LYS 23 2HG LYS 23 -8.588 -4.578 7.776 755 HG3 LYS 23 1HG LYS 23 -7.763 -3.036 8.022 756 HD2 LYS 23 2HD LYS 23 -9.877 -2.160 9.028 757 HD3 LYS 23 1HD LYS 23 -10.536 -3.796 8.930 758 HE2 LYS 23 2HE LYS 23 -8.700 -4.601 10.347 759 HE3 LYS 23 1HE LYS 23 -8.072 -2.958 10.454 760 HZ1 LYS 23 1HZ LYS 23 -10.576 -4.036 11.592 761 HZ2 LYS 23 2HZ LYS 23 -10.336 -2.371 11.397 762 HZ3 LYS 23 3HZ LYS 23 -9.296 -3.267 12.394 763 H MET 24 H MET 24 -10.192 -4.868 4.310 764 HA MET 24 HA MET 24 -9.156 -7.338 5.273 765 HB2 MET 24 2HB MET 24 -11.216 -6.711 3.155 766 HB3 MET 24 1HB MET 24 -10.828 -8.345 3.679 767 HG2 MET 24 2HG MET 24 -11.551 -7.808 5.935 768 HG3 MET 24 1HG MET 24 -11.896 -6.152 5.442 769 HE1 MET 24 1HE MET 24 -12.867 -9.930 5.009 770 HE2 MET 24 2HE MET 24 -12.543 -9.420 3.353 771 HE3 MET 24 3HE MET 24 -14.186 -9.827 3.842 772 H ASP 25 H ASP 25 -9.230 -5.856 2.036 773 HA ASP 25 HA ASP 25 -8.013 -8.044 0.732 774 HB2 ASP 25 2HB ASP 25 -9.385 -6.174 -0.321 775 HB3 ASP 25 1HB ASP 25 -7.922 -5.194 -0.248 776 H LEU 26 H LEU 26 -6.693 -5.176 2.270 777 HA LEU 26 HA LEU 26 -4.080 -5.298 1.264 778 HG LEU 26 HG LEU 26 -2.546 -4.564 3.892 779 HB2 LEU 26 2HB LEU 26 -4.966 -3.382 2.520 780 HB3 LEU 26 1HB LEU 26 -5.013 -4.355 3.977 781 HD11 LEU 26 1HD1 LEU 26 -1.276 -3.111 2.390 782 HD12 LEU 26 2HD1 LEU 26 -2.774 -2.614 1.604 783 HD13 LEU 26 3HD1 LEU 26 -2.233 -4.288 1.492 784 HD21 LEU 26 1HD2 LEU 26 -3.577 -1.732 3.852 785 HD22 LEU 26 2HD2 LEU 26 -2.068 -2.278 4.583 786 HD23 LEU 26 3HD2 LEU 26 -3.613 -2.827 5.235 787 H HIS 27 H HIS 27 -5.626 -7.015 3.925 788 HA HIS 27 HA HIS 27 -3.259 -8.120 5.016 789 HD1 HIS 27 1HD HIS 27 -6.577 -6.617 6.480 790 HD2 HIS 27 2HD HIS 27 -3.572 -8.959 8.147 791 HE1 HIS 27 1HE HIS 27 -6.109 -5.618 8.736 792 HE2 HIS 27 2HE HIS 27 -4.391 -7.126 9.778 793 HB2 HIS 27 2HB HIS 27 -6.165 -8.825 5.225 794 HB3 HIS 27 1HB HIS 27 -4.948 -9.917 5.877 795 H ASP 28 H ASP 28 -5.607 -9.358 2.658 796 HA ASP 28 HA ASP 28 -4.384 -11.851 2.215 797 HB2 ASP 28 2HB ASP 28 -6.028 -10.139 0.338 798 HB3 ASP 28 1HB ASP 28 -5.546 -11.793 -0.012 799 H LEU 29 H LEU 29 -3.921 -8.704 0.715 800 HA LEU 29 HA LEU 29 -2.191 -9.519 -1.343 801 HG LEU 29 HG LEU 29 -0.415 -6.921 -1.416 802 HB2 LEU 29 2HB LEU 29 -3.398 -7.377 -1.300 803 HB3 LEU 29 1HB LEU 29 -2.400 -6.845 0.037 804 HD11 LEU 29 1HD1 LEU 29 -1.140 -8.667 -2.949 805 HD12 LEU 29 2HD1 LEU 29 -0.692 -7.203 -3.826 806 HD13 LEU 29 3HD1 LEU 29 -2.393 -7.601 -3.585 807 HD21 LEU 29 1HD2 LEU 29 -2.717 -5.300 -2.490 808 HD22 LEU 29 2HD2 LEU 29 -1.010 -4.992 -2.806 809 HD23 LEU 29 3HD2 LEU 29 -1.645 -4.843 -1.167 810 H ALA 30 H ALA 30 -1.540 -8.324 1.929 811 HA ALA 30 HA ALA 30 1.271 -8.158 1.603 812 HB1 ALA 30 1HB ALA 30 -0.322 -8.380 4.155 813 HB2 ALA 30 2HB ALA 30 0.064 -6.883 3.306 814 HB3 ALA 30 3HB ALA 30 1.355 -7.851 4.015 815 H GLU 31 H GLU 31 -0.866 -10.766 2.576 816 HA GLU 31 HA GLU 31 1.323 -12.392 3.522 817 HB2 GLU 31 2HB GLU 31 -1.588 -13.074 3.102 818 HB3 GLU 31 1HB GLU 31 -0.410 -14.053 3.953 819 HG2 GLU 31 2HG GLU 31 -0.282 -11.559 5.175 820 HG3 GLU 31 1HG GLU 31 -1.998 -11.860 4.905 821 H ASP 32 H ASP 32 -0.665 -12.084 0.646 822 HA ASP 32 HA ASP 32 0.558 -14.491 -0.502 823 HB2 ASP 32 2HB ASP 32 -2.009 -13.936 -0.512 824 HB3 ASP 32 1HB ASP 32 -1.585 -12.933 -1.897 825 H LEU 33 H LEU 33 1.857 -11.902 -0.120 826 HA LEU 33 HA LEU 33 2.366 -10.364 -2.260 827 HG LEU 33 HG LEU 33 2.596 -9.301 0.237 828 HB2 LEU 33 2HB LEU 33 3.996 -11.296 0.006 829 HB3 LEU 33 1HB LEU 33 4.865 -10.545 -1.322 830 HD11 LEU 33 1HD1 LEU 33 4.665 -9.389 1.504 831 HD12 LEU 33 2HD1 LEU 33 4.309 -7.734 1.012 832 HD13 LEU 33 3HD1 LEU 33 5.541 -8.661 0.156 833 HD21 LEU 33 1HD2 LEU 33 3.062 -7.285 -1.074 834 HD22 LEU 33 2HD2 LEU 33 2.552 -8.614 -2.116 835 HD23 LEU 33 3HD2 LEU 33 4.256 -8.170 -2.021 836 HA PRO 34 HA PRO 34 4.822 -10.553 -5.672 837 HB2 PRO 34 2HB PRO 34 5.805 -13.256 -4.816 838 HB3 PRO 34 1HB PRO 34 6.452 -12.201 -6.092 839 HG2 PRO 34 2HG PRO 34 7.206 -12.055 -3.402 840 HG3 PRO 34 1HG PRO 34 7.401 -10.747 -4.583 841 HD2 PRO 34 2HD PRO 34 5.762 -10.631 -2.289 842 HD3 PRO 34 1HD PRO 34 5.612 -9.558 -3.706 843 H THR 35 H THR 35 2.205 -11.987 -4.508 844 HA THR 35 HA THR 35 1.417 -12.374 -7.315 845 HB THR 35 HB THR 35 -0.507 -13.355 -5.354 846 HG1 THR 35 1HG THR 35 1.191 -14.192 -4.217 847 HG21 THR 35 1HG2 THR 35 -0.567 -15.274 -6.913 848 HG22 THR 35 2HG2 THR 35 0.784 -14.563 -7.798 849 HG23 THR 35 3HG2 THR 35 -0.765 -13.726 -7.734 850 H GLY 36 H GLY 36 -0.185 -11.053 -8.020 851 HA2 GLY 36 2HA GLY 36 -1.659 -9.290 -8.075 852 HA3 GLY 36 1HA GLY 36 -2.003 -9.633 -6.389 853 H TRP 37 H TRP 37 1.288 -9.010 -7.035 854 HA TRP 37 HA TRP 37 1.481 -6.864 -5.307 855 HD1 TRP 37 HD TRP 37 4.399 -5.520 -8.360 856 HE1 TRP 37 1HE TRP 37 4.887 -6.479 -10.702 857 HE3 TRP 37 3HE TRP 37 2.625 -10.274 -7.674 858 HZ2 TRP 37 2HZ TRP 37 4.555 -8.936 -12.073 859 HZ3 TRP 37 3HZ TRP 37 2.748 -11.862 -9.549 860 HH2 TRP 37 HH TRP 37 3.692 -11.206 -11.700 861 HB2 TRP 37 2HB TRP 37 3.751 -6.609 -6.054 862 HB3 TRP 37 1HB TRP 37 3.371 -8.327 -6.032 863 H ASN 38 H ASN 38 0.515 -6.836 -8.631 864 HA ASN 38 HA ASN 38 1.184 -4.207 -9.307 865 HB2 ASN 38 2HB ASN 38 -0.324 -4.477 -11.121 866 HB3 ASN 38 1HB ASN 38 0.390 -6.052 -10.847 867 HD21 ASN 38 1HD2 ASN 38 -0.881 -7.720 -10.064 868 HD22 ASN 38 2HD2 ASN 38 -2.613 -7.629 -10.026 869 H ARG 39 H ARG 39 -1.203 -5.491 -7.190 870 HA ARG 39 HA ARG 39 -2.853 -3.086 -7.319 871 HE ARG 39 HE ARG 39 -5.860 -6.061 -4.993 872 HB2 ARG 39 2HB ARG 39 -3.201 -5.826 -6.254 873 HB3 ARG 39 1HB ARG 39 -4.047 -4.540 -5.407 874 HG2 ARG 39 2HG ARG 39 -5.146 -3.876 -7.458 875 HG3 ARG 39 1HG ARG 39 -4.251 -5.099 -8.356 876 HD2 ARG 39 2HD ARG 39 -6.556 -5.793 -7.825 877 HD3 ARG 39 1HD ARG 39 -5.337 -6.864 -7.139 878 HH11 ARG 39 1HH1 ARG 39 -7.809 -4.521 -7.458 879 HH12 ARG 39 2HH1 ARG 39 -9.085 -4.091 -6.359 880 HH21 ARG 39 1HH2 ARG 39 -7.519 -5.491 -3.534 881 HH22 ARG 39 2HH2 ARG 39 -8.913 -4.632 -4.125 882 H ILE 40 H ILE 40 -0.101 -3.940 -5.718 883 HA ILE 40 HA ILE 40 -0.576 -3.236 -3.058 884 HB ILE 40 HB ILE 40 1.923 -2.911 -4.721 885 HG12 ILE 40 2HG1 ILE 40 1.130 -4.941 -2.622 886 HG13 ILE 40 1HG1 ILE 40 1.175 -5.217 -4.359 887 HG21 ILE 40 1HG2 ILE 40 1.986 -1.309 -2.878 888 HG22 ILE 40 2HG2 ILE 40 3.155 -2.605 -2.637 889 HG23 ILE 40 3HG2 ILE 40 1.642 -2.603 -1.729 890 HD11 ILE 40 1HD1 ILE 40 3.580 -4.886 -4.366 891 HD12 ILE 40 2HD1 ILE 40 3.122 -6.163 -3.240 892 HD13 ILE 40 3HD1 ILE 40 3.554 -4.564 -2.634 893 H MET 41 H MET 41 0.386 -1.168 -5.784 894 HA MET 41 HA MET 41 0.507 1.213 -4.245 895 HB2 MET 41 2HB MET 41 0.121 0.896 -7.224 896 HB3 MET 41 1HB MET 41 0.607 2.369 -6.398 897 HG2 MET 41 2HG MET 41 2.174 -0.199 -6.512 898 HG3 MET 41 1HG MET 41 2.502 1.262 -7.440 899 HE1 MET 41 1HE MET 41 3.354 3.520 -6.395 900 HE2 MET 41 2HE MET 41 3.629 3.777 -4.671 901 HE3 MET 41 3HE MET 41 1.986 3.564 -5.281 902 H GLU 42 H GLU 42 -2.029 -0.322 -6.134 903 HA GLU 42 HA GLU 42 -3.845 1.837 -6.132 904 HB2 GLU 42 2HB GLU 42 -3.985 -0.205 -7.602 905 HB3 GLU 42 1HB GLU 42 -4.541 -1.104 -6.199 906 HG2 GLU 42 2HG GLU 42 -6.351 0.742 -6.045 907 HG3 GLU 42 1HG GLU 42 -5.938 1.046 -7.729 908 H VAL 43 H VAL 43 -3.708 -1.088 -4.125 909 HA VAL 43 HA VAL 43 -5.847 -0.445 -2.434 910 HB VAL 43 HB VAL 43 -3.428 -2.169 -1.868 911 HG11 VAL 43 1HG1 VAL 43 -4.490 -1.456 0.218 912 HG12 VAL 43 2HG1 VAL 43 -4.735 -3.176 -0.073 913 HG13 VAL 43 3HG1 VAL 43 -6.046 -2.036 -0.373 914 HG21 VAL 43 1HG2 VAL 43 -4.963 -4.026 -2.379 915 HG22 VAL 43 2HG2 VAL 43 -4.733 -2.948 -3.756 916 HG23 VAL 43 3HG2 VAL 43 -6.213 -2.856 -2.801 917 H ALA 44 H ALA 44 -2.357 0.073 -2.023 918 HA ALA 44 HA ALA 44 -2.405 1.197 0.518 919 HB1 ALA 44 1HB ALA 44 -0.258 2.212 -0.026 920 HB2 ALA 44 2HB ALA 44 -0.527 1.883 -1.738 921 HB3 ALA 44 3HB ALA 44 -0.340 0.548 -0.601 922 H GLU 45 H GLU 45 -2.709 2.812 -2.629 923 HA GLU 45 HA GLU 45 -2.802 5.448 -1.684 924 HB2 GLU 45 2HB GLU 45 -2.564 4.630 -4.075 925 HB3 GLU 45 1HB GLU 45 -4.301 4.387 -4.082 926 HG2 GLU 45 2HG GLU 45 -3.170 7.061 -3.386 927 HG3 GLU 45 1HG GLU 45 -3.275 6.551 -5.069 928 H LYS 46 H LYS 46 -5.522 3.276 -2.459 929 HA LYS 46 HA LYS 46 -7.509 5.093 -1.615 930 HB2 LYS 46 2HB LYS 46 -7.514 2.144 -2.151 931 HB3 LYS 46 1HB LYS 46 -8.944 2.956 -1.522 932 HG2 LYS 46 2HG LYS 46 -8.927 4.471 -3.436 933 HG3 LYS 46 1HG LYS 46 -7.501 3.649 -4.068 934 HD2 LYS 46 2HD LYS 46 -10.127 2.274 -3.542 935 HD3 LYS 46 1HD LYS 46 -9.669 2.967 -5.096 936 HE2 LYS 46 2HE LYS 46 -7.671 1.517 -5.110 937 HE3 LYS 46 1HE LYS 46 -8.231 0.774 -3.616 938 HZ1 LYS 46 1HZ LYS 46 -8.775 -0.487 -5.672 939 HZ2 LYS 46 2HZ LYS 46 -9.798 0.785 -6.138 940 HZ3 LYS 46 3HZ LYS 46 -10.132 -0.097 -4.728 941 H THR 47 H THR 47 -5.797 2.514 0.091 942 HA THR 47 HA THR 47 -7.374 2.528 2.434 943 HB THR 47 HB THR 47 -4.431 1.852 2.171 944 HG1 THR 47 1HG THR 47 -5.612 0.534 0.801 945 HG21 THR 47 1HG2 THR 47 -4.782 0.476 4.160 946 HG22 THR 47 2HG2 THR 47 -6.461 1.009 4.245 947 HG23 THR 47 3HG2 THR 47 -5.154 2.167 4.498 948 H TYR 48 H TYR 48 -4.401 4.248 1.555 949 HA TYR 48 HA TYR 48 -4.041 5.651 3.958 950 HD1 TYR 48 2HD TYR 48 -1.585 6.551 4.458 951 HD2 TYR 48 1HD TYR 48 -2.931 8.732 1.066 952 HE1 TYR 48 2HE TYR 48 -0.441 8.560 5.303 953 HE2 TYR 48 1HE TYR 48 -1.794 10.745 1.899 954 HH TYR 48 HH TYR 48 -0.967 11.676 3.963 955 HB2 TYR 48 2HB TYR 48 -2.320 5.450 2.205 956 HB3 TYR 48 1HB TYR 48 -3.289 6.453 1.134 957 H GLU 49 H GLU 49 -5.683 6.584 0.948 958 HA GLU 49 HA GLU 49 -6.510 9.149 1.729 959 HB2 GLU 49 2HB GLU 49 -7.690 7.181 -0.236 960 HB3 GLU 49 1HB GLU 49 -8.173 8.860 -0.116 961 HG2 GLU 49 2HG GLU 49 -5.419 7.872 -0.786 962 HG3 GLU 49 1HG GLU 49 -6.601 8.497 -1.936 963 H ALA 50 H ALA 50 -8.105 6.006 2.010 964 HA ALA 50 HA ALA 50 -10.643 6.858 2.744 965 HB1 ALA 50 1HB ALA 50 -10.977 4.640 3.664 966 HB2 ALA 50 2HB ALA 50 -9.237 4.363 3.679 967 HB3 ALA 50 3HB ALA 50 -10.085 4.544 2.145 968 H TYR 51 H TYR 51 -7.912 6.002 4.881 969 HA TYR 51 HA TYR 51 -9.384 6.510 7.240 970 HD1 TYR 51 1HD TYR 51 -9.435 4.715 8.310 971 HD2 TYR 51 2HD TYR 51 -5.648 4.109 6.470 972 HE1 TYR 51 1HE TYR 51 -9.804 2.284 8.367 973 HE2 TYR 51 2HE TYR 51 -6.009 1.678 6.517 974 HH TYR 51 HH TYR 51 -8.993 0.273 7.084 975 HB2 TYR 51 2HB TYR 51 -6.415 6.275 6.759 976 HB3 TYR 51 1HB TYR 51 -7.144 6.420 8.354 977 H ARG 52 H ARG 52 -7.427 8.548 5.174 978 HA ARG 52 HA ARG 52 -7.158 10.783 6.868 979 HE ARG 52 HE ARG 52 -5.402 10.861 1.594 980 HB2 ARG 52 2HB ARG 52 -7.623 10.720 3.878 981 HB3 ARG 52 1HB ARG 52 -7.055 12.108 4.778 982 HG2 ARG 52 2HG ARG 52 -5.120 10.601 5.472 983 HG3 ARG 52 1HG ARG 52 -5.632 9.575 4.132 984 HD2 ARG 52 2HD ARG 52 -4.858 12.485 3.978 985 HD3 ARG 52 1HD ARG 52 -3.924 11.115 3.402 986 HH11 ARG 52 1HH1 ARG 52 -6.279 13.573 3.655 987 HH12 ARG 52 2HH1 ARG 52 -7.260 14.341 2.441 988 HH21 ARG 52 1HH2 ARG 52 -6.671 11.883 -0.008 989 HH22 ARG 52 2HH2 ARG 52 -7.474 13.389 0.357 990 H GLN 53 H GLN 53 -9.473 10.137 4.341 991 HA GLN 53 HA GLN 53 -11.244 12.254 4.889 992 HB2 GLN 53 2HB GLN 53 -11.146 10.933 2.773 993 HB3 GLN 53 1HB GLN 53 -11.904 9.587 3.612 994 HG2 GLN 53 2HG GLN 53 -13.559 10.765 2.341 995 HG3 GLN 53 1HG GLN 53 -13.864 11.010 4.060 996 HE21 GLN 53 1HE2 GLN 53 -12.781 12.475 1.101 997 HE22 GLN 53 2HE2 GLN 53 -12.897 14.121 1.639 998 H LEU 54 H LEU 54 -11.190 8.918 6.105 999 HA LEU 54 HA LEU 54 -13.657 8.962 7.432 1000 HG LEU 54 HG LEU 54 -12.774 5.460 7.839 1001 HB2 LEU 54 2HB LEU 54 -11.239 7.328 7.513 1002 HB3 LEU 54 1HB LEU 54 -12.037 7.434 9.069 1003 HD11 LEU 54 1HD1 LEU 54 -15.192 5.831 7.965 1004 HD12 LEU 54 2HD1 LEU 54 -14.911 7.570 8.073 1005 HD13 LEU 54 3HD1 LEU 54 -14.344 6.505 9.359 1006 HD21 LEU 54 1HD2 LEU 54 -13.803 7.398 5.773 1007 HD22 LEU 54 2HD2 LEU 54 -14.057 5.652 5.783 1008 HD23 LEU 54 3HD2 LEU 54 -12.433 6.309 5.571 1009 H ASP 55 H ASP 55 -10.429 9.907 8.580 1010 HA ASP 55 HA ASP 55 -11.260 10.651 11.187 1011 HB2 ASP 55 2HB ASP 55 -8.907 10.198 10.586 1012 HB3 ASP 55 1HB ASP 55 -8.897 11.632 9.568 1013 H GLU 56 H GLU 56 -10.843 12.442 8.179 1014 HA GLU 56 HA GLU 56 -11.485 14.990 9.224 1015 HB2 GLU 56 2HB GLU 56 -11.499 13.840 6.438 1016 HB3 GLU 56 1HB GLU 56 -11.884 15.522 6.760 1017 HG2 GLU 56 2HG GLU 56 -9.662 15.737 7.884 1018 HG3 GLU 56 1HG GLU 56 -9.294 14.104 7.331 1019 H PHE 57 H PHE 57 -13.447 12.419 7.838 1020 HA PHE 57 HA PHE 57 -15.884 13.875 7.838 1021 HD1 PHE 57 2HD PHE 57 -17.537 13.090 5.888 1022 HD2 PHE 57 1HD PHE 57 -17.540 10.133 8.950 1023 HE1 PHE 57 2HE PHE 57 -19.983 12.879 5.681 1024 HE2 PHE 57 1HE PHE 57 -19.979 9.921 8.751 1025 HZ PHE 57 HZ PHE 57 -21.206 11.291 7.114 1026 HB2 PHE 57 2HB PHE 57 -15.469 11.757 6.557 1027 HB3 PHE 57 1HB PHE 57 -15.518 10.880 8.081 1028 H ARG 58 H ARG 58 -14.192 11.907 10.212 1029 HA ARG 58 HA ARG 58 -16.209 11.891 12.177 1030 HE ARG 58 HE ARG 58 -14.769 7.360 12.972 1031 HB2 ARG 58 2HB ARG 58 -13.232 11.528 12.223 1032 HB3 ARG 58 1HB ARG 58 -14.144 11.588 13.716 1033 HG2 ARG 58 2HG ARG 58 -15.477 9.686 13.016 1034 HG3 ARG 58 1HG ARG 58 -14.623 9.646 11.472 1035 HD2 ARG 58 2HD ARG 58 -12.549 9.138 12.583 1036 HD3 ARG 58 1HD ARG 58 -13.310 9.317 14.161 1037 HH11 ARG 58 1HH1 ARG 58 -11.343 7.840 13.481 1038 HH12 ARG 58 2HH1 ARG 58 -10.998 6.141 13.650 1039 HH21 ARG 58 1HH2 ARG 58 -14.332 5.118 13.198 1040 HH22 ARG 58 2HH2 ARG 58 -12.700 4.602 13.507 1041 H LYS 59 H LYS 59 -13.578 14.146 11.446 1042 HA LYS 59 HA LYS 59 -13.953 15.939 13.571 1043 HB2 LYS 59 2HB LYS 59 -13.224 16.642 10.717 1044 HB3 LYS 59 1HB LYS 59 -12.913 17.623 12.142 1045 HG2 LYS 59 2HG LYS 59 -11.698 14.937 11.534 1046 HG3 LYS 59 1HG LYS 59 -10.898 16.505 11.395 1047 HD2 LYS 59 2HD LYS 59 -11.152 16.855 13.790 1048 HD3 LYS 59 1HD LYS 59 -11.990 15.311 13.941 1049 HE2 LYS 59 2HE LYS 59 -10.004 14.133 13.187 1050 HE3 LYS 59 1HE LYS 59 -9.158 15.662 12.963 1051 HZ1 LYS 59 1HZ LYS 59 -10.226 14.763 15.579 1052 HZ2 LYS 59 2HZ LYS 59 -9.168 16.056 15.282 1053 HZ3 LYS 59 3HZ LYS 59 -8.637 14.461 15.064 1054 H SER 60 H SER 60 -15.440 15.837 10.366 1055 HA SER 60 HA SER 60 -17.188 18.006 10.709 1056 HG SER 60 HG SER 60 -19.186 16.809 8.092 1057 HB2 SER 60 2HB SER 60 -16.641 16.797 8.537 1058 HB3 SER 60 1HB SER 60 -17.781 15.553 9.045 1059 H THR 61 H THR 61 -17.626 14.555 11.334 1060 HA THR 61 HA THR 61 -20.297 14.611 12.155 1061 HB THR 61 HB THR 61 -18.125 12.751 13.156 1062 HG1 THR 61 1HG THR 61 -18.296 12.741 10.864 1063 HG21 THR 61 1HG2 THR 61 -19.995 11.165 13.474 1064 HG22 THR 61 2HG2 THR 61 -21.129 12.444 13.038 1065 HG23 THR 61 3HG2 THR 61 -20.148 12.595 14.496 1066 H ALA 62 H ALA 62 -17.312 15.041 14.028 1067 HA ALA 62 HA ALA 62 -18.493 15.261 16.565 1068 HB1 ALA 62 1HB ALA 62 -16.413 16.325 17.255 1069 HB2 ALA 62 2HB ALA 62 -15.955 16.549 15.567 1070 HB3 ALA 62 3HB ALA 62 -16.097 14.923 16.235 1071 H SER 63 H SER 63 -18.018 17.575 13.991 1072 HA SER 63 HA SER 63 -18.780 19.870 15.502 1073 HG SER 63 HG SER 63 -16.752 19.149 13.193 1074 HB2 SER 63 2HB SER 63 -18.847 19.440 12.504 1075 HB3 SER 63 1HB SER 63 -18.903 20.996 13.334 1076 H LEU 64 H LEU 64 -20.484 17.632 13.339 1077 HA LEU 64 HA LEU 64 -22.999 18.902 13.472 1078 HG LEU 64 HG LEU 64 -23.380 16.570 10.671 1079 HB2 LEU 64 2HB LEU 64 -22.021 16.222 12.672 1080 HB3 LEU 64 1HB LEU 64 -23.722 16.352 13.066 1081 HD11 LEU 64 1HD1 LEU 64 -25.222 17.796 11.647 1082 HD12 LEU 64 2HD1 LEU 64 -24.528 18.702 10.303 1083 HD13 LEU 64 3HD1 LEU 64 -24.168 19.174 11.965 1084 HD21 LEU 64 1HD2 LEU 64 -22.171 18.466 9.722 1085 HD22 LEU 64 2HD2 LEU 64 -21.105 17.433 10.676 1086 HD23 LEU 64 3HD2 LEU 64 -21.676 18.965 11.340 1087 H GLU 65 H GLU 65 -21.507 16.395 15.451 1088 HA GLU 65 HA GLU 65 -23.750 16.021 17.145 1089 HB2 GLU 65 2HB GLU 65 -20.863 15.261 17.214 1090 HB3 GLU 65 1HB GLU 65 -21.832 15.079 18.658 1091 HG2 GLU 65 2HG GLU 65 -23.382 13.633 17.437 1092 HG3 GLU 65 1HG GLU 65 -22.392 13.816 15.989 1093 H HIS 66 H HIS 66 -21.697 18.582 16.800 1094 HA HIS 66 HA HIS 66 -21.734 19.351 19.621 1095 HD1 HIS 66 1HD HIS 66 -19.789 23.067 18.075 1096 HD2 HIS 66 2HD HIS 66 -19.705 20.303 21.186 1097 HE1 HIS 66 1HE HIS 66 -19.013 24.344 20.100 1098 HE2 HIS 66 2HE HIS 66 -18.814 22.616 21.930 1099 HB2 HIS 66 2HB HIS 66 -19.631 19.545 18.236 1100 HB3 HIS 66 1HB HIS 66 -20.430 20.814 17.317 1101 H HIS 67 H HIS 67 -23.473 19.861 16.743 1102 HA HIS 67 HA HIS 67 -24.421 22.492 17.414 1103 HD1 HIS 67 1HD HIS 67 -27.721 22.385 14.808 1104 HD2 HIS 67 2HD HIS 67 -26.085 18.636 15.576 1105 HE1 HIS 67 1HE HIS 67 -29.558 20.734 14.345 1106 HE2 HIS 67 2HE HIS 67 -28.602 18.493 14.985 1107 HB2 HIS 67 2HB HIS 67 -25.303 22.523 15.334 1108 HB3 HIS 67 1HB HIS 67 -24.383 21.053 15.073 1109 H HIS 68 H HIS 68 -26.351 23.043 18.398 1110 HA HIS 68 HA HIS 68 -27.495 20.992 20.071 1111 HD1 HIS 68 1HD HIS 68 -28.192 23.194 23.176 1112 HD2 HIS 68 2HD HIS 68 -25.090 23.414 20.413 1113 HE1 HIS 68 1HE HIS 68 -26.099 23.518 24.526 1114 HE2 HIS 68 2HE HIS 68 -24.227 23.361 22.849 1115 HB2 HIS 68 2HB HIS 68 -28.093 23.936 19.762 1116 HB3 HIS 68 1HB HIS 68 -29.000 22.883 20.847 1117 H HIS 69 H HIS 69 -29.585 20.195 19.999 1118 HA HIS 69 HA HIS 69 -30.477 19.928 17.264 1119 HD1 HIS 69 1HD HIS 69 -30.904 17.187 16.276 1120 HD2 HIS 69 2HD HIS 69 -34.014 17.927 18.937 1121 HE1 HIS 69 1HE HIS 69 -32.946 16.135 15.245 1122 HE2 HIS 69 2HE HIS 69 -34.746 16.382 16.996 1123 HB2 HIS 69 2HB HIS 69 -30.176 17.945 18.712 1124 HB3 HIS 69 1HB HIS 69 -31.460 18.534 19.761 1125 H HIS 70 H HIS 70 -31.332 22.048 17.001 1126 HA HIS 70 HA HIS 70 -33.776 22.708 18.395 1127 HD1 HIS 70 1HD HIS 70 -33.877 25.990 18.707 1128 HD2 HIS 70 2HD HIS 70 -35.226 24.638 15.005 1129 HE1 HIS 70 1HE HIS 70 -35.928 27.356 18.184 1130 HE2 HIS 70 2HE HIS 70 -36.678 26.585 15.904 1131 HB2 HIS 70 2HB HIS 70 -32.225 24.469 17.530 1132 HB3 HIS 70 1HB HIS 70 -32.599 23.954 15.891 1133 H HIS 71 H HIS 71 -32.802 21.633 15.176 1134 HA HIS 71 HA HIS 71 -34.993 19.898 14.824 1135 HD1 HIS 71 1HD HIS 71 -37.957 22.270 12.362 1136 HD2 HIS 71 2HD HIS 71 -36.983 19.562 15.365 1137 HE1 HIS 71 1HE HIS 71 -40.095 21.058 12.901 1138 HE2 HIS 71 2HE HIS 71 -39.526 19.579 14.856 1139 HB2 HIS 71 2HB HIS 71 -35.575 22.599 14.231 1140 HB3 HIS 71 1HB HIS 71 -35.359 21.796 12.681 Start of MODEL 18 1 HA MET 1 HA MET 1 28.530 -3.017 -22.293 2 H1 MET 1 1H MET 1 27.299 -3.695 -24.892 3 H2 MET 1 2H MET 1 28.904 -3.993 -24.442 4 H3 MET 1 3H MET 1 28.351 -2.397 -24.592 5 HB2 MET 1 2HB MET 1 26.778 -1.434 -22.917 6 HB3 MET 1 1HB MET 1 25.681 -2.760 -23.284 7 HG2 MET 1 2HG MET 1 25.196 -1.713 -21.125 8 HG3 MET 1 1HG MET 1 25.634 -3.413 -20.959 9 HE1 MET 1 1HE MET 1 26.130 -3.250 -18.404 10 HE2 MET 1 2HE MET 1 25.603 -1.568 -18.427 11 HE3 MET 1 3HE MET 1 27.128 -2.000 -17.656 12 H SER 2 H SER 2 28.872 -4.776 -21.159 13 HA SER 2 HA SER 2 26.887 -6.939 -21.274 14 HG SER 2 HG SER 2 28.136 -8.146 -23.130 15 HB2 SER 2 2HB SER 2 29.896 -7.251 -21.084 16 HB3 SER 2 1HB SER 2 28.723 -8.567 -21.008 17 H GLU 3 H GLU 3 26.848 -8.248 -19.291 18 HA GLU 3 HA GLU 3 27.372 -6.541 -16.968 19 HB2 GLU 3 2HB GLU 3 25.288 -8.666 -17.452 20 HB3 GLU 3 1HB GLU 3 25.611 -7.986 -15.865 21 HG2 GLU 3 2HG GLU 3 24.845 -6.316 -18.236 22 HG3 GLU 3 1HG GLU 3 23.681 -6.998 -17.103 23 H GLY 4 H GLY 4 28.670 -7.215 -15.455 24 HA2 GLY 4 2HA GLY 4 29.980 -9.785 -15.658 25 HA3 GLY 4 1HA GLY 4 30.357 -8.496 -14.521 26 H ALA 5 H ALA 5 29.712 -11.478 -14.322 27 HA ALA 5 HA ALA 5 27.240 -11.772 -12.990 28 HB1 ALA 5 1HB ALA 5 28.443 -13.650 -14.000 29 HB2 ALA 5 2HB ALA 5 28.073 -13.957 -12.303 30 HB3 ALA 5 3HB ALA 5 29.706 -13.494 -12.779 31 H GLU 6 H GLU 6 30.366 -10.762 -11.952 32 HA GLU 6 HA GLU 6 29.994 -11.107 -9.148 33 HB2 GLU 6 2HB GLU 6 31.801 -9.114 -10.532 34 HB3 GLU 6 1HB GLU 6 32.000 -9.805 -8.925 35 HG2 GLU 6 2HG GLU 6 32.430 -11.971 -9.865 36 HG3 GLU 6 1HG GLU 6 32.118 -11.370 -11.488 37 H GLU 7 H GLU 7 29.767 -8.291 -11.305 38 HA GLU 7 HA GLU 7 28.804 -6.461 -9.425 39 HB2 GLU 7 2HB GLU 7 28.158 -6.601 -12.377 40 HB3 GLU 7 1HB GLU 7 28.053 -5.191 -11.350 41 HG2 GLU 7 2HG GLU 7 30.536 -6.628 -12.207 42 HG3 GLU 7 1HG GLU 7 30.020 -5.011 -12.678 43 H LEU 8 H LEU 8 27.184 -8.750 -11.545 44 HA LEU 8 HA LEU 8 24.524 -8.186 -10.993 45 HG LEU 8 HG LEU 8 23.288 -9.619 -12.680 46 HB2 LEU 8 2HB LEU 8 25.728 -9.889 -12.602 47 HB3 LEU 8 1HB LEU 8 25.556 -10.993 -11.256 48 HD11 LEU 8 1HD1 LEU 8 22.809 -11.867 -13.567 49 HD12 LEU 8 2HD1 LEU 8 24.294 -12.457 -12.822 50 HD13 LEU 8 3HD1 LEU 8 24.370 -11.248 -14.103 51 HD21 LEU 8 1HD2 LEU 8 22.749 -10.112 -10.345 52 HD22 LEU 8 2HD2 LEU 8 23.251 -11.785 -10.577 53 HD23 LEU 8 3HD2 LEU 8 21.845 -11.162 -11.435 54 H LYS 9 H LYS 9 26.735 -10.461 -9.429 55 HA LYS 9 HA LYS 9 25.021 -11.413 -7.461 56 HB2 LYS 9 2HB LYS 9 27.907 -11.405 -7.994 57 HB3 LYS 9 1HB LYS 9 27.499 -11.576 -6.301 58 HG2 LYS 9 2HG LYS 9 26.534 -13.326 -8.548 59 HG3 LYS 9 1HG LYS 9 27.764 -13.739 -7.351 60 HD2 LYS 9 2HD LYS 9 26.057 -13.470 -5.570 61 HD3 LYS 9 1HD LYS 9 24.845 -13.187 -6.821 62 HE2 LYS 9 2HE LYS 9 24.759 -15.490 -6.079 63 HE3 LYS 9 1HE LYS 9 25.313 -15.410 -7.752 64 HZ1 LYS 9 1HZ LYS 9 27.585 -15.676 -6.974 65 HZ2 LYS 9 2HZ LYS 9 26.623 -16.973 -6.464 66 HZ3 LYS 9 3HZ LYS 9 27.054 -15.755 -5.365 67 H ALA 10 H ALA 10 27.422 -8.796 -7.234 68 HA ALA 10 HA ALA 10 26.926 -8.199 -4.530 69 HB1 ALA 10 1HB ALA 10 27.960 -6.355 -6.686 70 HB2 ALA 10 2HB ALA 10 28.939 -7.460 -5.718 71 HB3 ALA 10 3HB ALA 10 28.108 -6.109 -4.947 72 H LYS 11 H LYS 11 25.447 -6.994 -7.507 73 HA LYS 11 HA LYS 11 23.916 -4.974 -6.175 74 HB2 LYS 11 2HB LYS 11 24.530 -4.890 -8.606 75 HB3 LYS 11 1HB LYS 11 23.393 -6.193 -8.886 76 HG2 LYS 11 2HG LYS 11 21.567 -4.881 -8.591 77 HG3 LYS 11 1HG LYS 11 22.387 -3.790 -7.476 78 HD2 LYS 11 2HD LYS 11 22.980 -3.906 -10.428 79 HD3 LYS 11 1HD LYS 11 21.804 -2.803 -9.714 80 HE2 LYS 11 2HE LYS 11 23.610 -1.903 -8.267 81 HE3 LYS 11 1HE LYS 11 24.756 -2.935 -9.119 82 HZ1 LYS 11 1HZ LYS 11 24.161 -1.774 -11.184 83 HZ2 LYS 11 2HZ LYS 11 24.812 -0.725 -10.022 84 HZ3 LYS 11 3HZ LYS 11 23.143 -0.741 -10.304 85 H LEU 12 H LEU 12 23.163 -8.178 -7.507 86 HA LEU 12 HA LEU 12 20.417 -8.128 -6.879 87 HG LEU 12 HG LEU 12 19.982 -11.121 -6.190 88 HB2 LEU 12 2HB LEU 12 21.458 -9.743 -8.445 89 HB3 LEU 12 1HB LEU 12 22.224 -10.541 -7.085 90 HD11 LEU 12 1HD1 LEU 12 18.984 -9.970 -8.793 91 HD12 LEU 12 2HD1 LEU 12 18.729 -9.276 -7.193 92 HD13 LEU 12 3HD1 LEU 12 18.017 -10.837 -7.599 93 HD21 LEU 12 1HD2 LEU 12 20.498 -12.003 -9.029 94 HD22 LEU 12 2HD2 LEU 12 19.471 -12.833 -7.862 95 HD23 LEU 12 3HD2 LEU 12 21.206 -12.710 -7.575 96 H LYS 13 H LYS 13 23.232 -9.195 -5.040 97 HA LYS 13 HA LYS 13 21.885 -10.364 -2.878 98 HB2 LYS 13 2HB LYS 13 24.405 -10.356 -3.420 99 HB3 LYS 13 1HB LYS 13 24.446 -8.799 -2.608 100 HG2 LYS 13 2HG LYS 13 23.668 -9.797 -0.556 101 HG3 LYS 13 1HG LYS 13 23.495 -11.362 -1.351 102 HD2 LYS 13 2HD LYS 13 25.922 -11.365 -1.802 103 HD3 LYS 13 1HD LYS 13 26.062 -9.846 -0.911 104 HE2 LYS 13 2HE LYS 13 26.666 -11.673 0.540 105 HE3 LYS 13 1HE LYS 13 25.142 -10.976 1.086 106 HZ1 LYS 13 1HZ LYS 13 23.991 -12.799 -0.103 107 HZ2 LYS 13 2HZ LYS 13 24.986 -13.345 1.151 108 HZ3 LYS 13 3HZ LYS 13 25.496 -13.493 -0.455 109 H LYS 14 H LYS 14 22.874 -7.044 -3.499 110 HA LYS 14 HA LYS 14 22.041 -5.963 -1.006 111 HB2 LYS 14 2HB LYS 14 23.688 -4.990 -2.714 112 HB3 LYS 14 1HB LYS 14 22.273 -4.447 -3.602 113 HG2 LYS 14 2HG LYS 14 21.575 -3.100 -1.707 114 HG3 LYS 14 1HG LYS 14 22.959 -3.677 -0.774 115 HD2 LYS 14 2HD LYS 14 24.440 -2.733 -2.566 116 HD3 LYS 14 1HD LYS 14 23.005 -1.998 -3.278 117 HE2 LYS 14 2HE LYS 14 24.073 -1.487 -0.505 118 HE3 LYS 14 1HE LYS 14 24.226 -0.407 -1.889 119 HZ1 LYS 14 1HZ LYS 14 21.724 -1.203 -0.510 120 HZ2 LYS 14 2HZ LYS 14 21.767 -0.313 -1.953 121 HZ3 LYS 14 3HZ LYS 14 22.433 0.336 -0.537 122 H LEU 15 H LEU 15 20.545 -6.115 -4.219 123 HA LEU 15 HA LEU 15 18.201 -4.674 -3.550 124 HG LEU 15 HG LEU 15 20.192 -5.017 -6.093 125 HB2 LEU 15 2HB LEU 15 18.557 -6.776 -5.689 126 HB3 LEU 15 1HB LEU 15 17.268 -5.594 -5.613 127 HD11 LEU 15 1HD1 LEU 15 19.102 -5.997 -8.018 128 HD12 LEU 15 2HD1 LEU 15 19.402 -4.282 -8.303 129 HD13 LEU 15 3HD1 LEU 15 17.779 -4.837 -7.890 130 HD21 LEU 15 1HD2 LEU 15 19.171 -3.227 -4.790 131 HD22 LEU 15 2HD2 LEU 15 17.852 -3.118 -5.956 132 HD23 LEU 15 3HD2 LEU 15 19.495 -2.699 -6.443 133 H ASN 16 H ASN 16 19.001 -8.110 -3.568 134 HA ASN 16 HA ASN 16 16.451 -9.143 -3.033 135 HB2 ASN 16 2HB ASN 16 18.668 -10.343 -3.683 136 HB3 ASN 16 1HB ASN 16 18.960 -10.395 -1.949 137 HD21 ASN 16 1HD2 ASN 16 15.839 -10.676 -3.549 138 HD22 ASN 16 2HD2 ASN 16 15.543 -12.312 -3.086 139 H ALA 17 H ALA 17 19.057 -8.124 -0.855 140 HA ALA 17 HA ALA 17 17.789 -8.843 1.557 141 HB1 ALA 17 1HB ALA 17 20.194 -8.363 1.404 142 HB2 ALA 17 2HB ALA 17 19.416 -7.389 2.653 143 HB3 ALA 17 3HB ALA 17 19.832 -6.665 1.098 144 H GLN 18 H GLN 18 17.786 -5.867 -0.336 145 HA GLN 18 HA GLN 18 16.318 -4.267 1.454 146 HB2 GLN 18 2HB GLN 18 17.574 -3.403 -0.504 147 HB3 GLN 18 1HB GLN 18 16.373 -4.122 -1.567 148 HG2 GLN 18 2HG GLN 18 14.652 -2.682 -0.595 149 HG3 GLN 18 1HG GLN 18 15.864 -1.956 0.460 150 HE21 GLN 18 1HE2 GLN 18 17.904 -2.069 -1.657 151 HE22 GLN 18 2HE2 GLN 18 17.522 -0.783 -2.751 152 H ALA 19 H ALA 19 15.258 -6.271 -1.286 153 HA ALA 19 HA ALA 19 12.517 -5.731 -1.119 154 HB1 ALA 19 1HB ALA 19 13.829 -8.289 -2.028 155 HB2 ALA 19 2HB ALA 19 13.574 -6.857 -3.028 156 HB3 ALA 19 3HB ALA 19 12.192 -7.761 -2.408 157 H THR 20 H THR 20 14.467 -8.200 0.484 158 HA THR 20 HA THR 20 12.366 -9.587 1.737 159 HB THR 20 HB THR 20 15.188 -9.258 2.773 160 HG1 THR 20 1HG THR 20 15.381 -10.038 0.695 161 HG21 THR 20 1HG2 THR 20 13.161 -11.463 3.154 162 HG22 THR 20 2HG2 THR 20 13.658 -10.288 4.372 163 HG23 THR 20 3HG2 THR 20 14.814 -11.473 3.762 164 H ALA 21 H ALA 21 14.271 -6.776 2.719 165 HA ALA 21 HA ALA 21 13.268 -6.577 5.351 166 HB1 ALA 21 1HB ALA 21 15.309 -5.446 4.585 167 HB2 ALA 21 2HB ALA 21 14.178 -4.325 5.343 168 HB3 ALA 21 3HB ALA 21 14.327 -4.377 3.585 169 H LEU 22 H LEU 22 12.234 -5.122 2.282 170 HA LEU 22 HA LEU 22 10.166 -3.547 3.427 171 HG LEU 22 HG LEU 22 10.709 -1.894 0.230 172 HB2 LEU 22 2HB LEU 22 10.978 -4.300 0.682 173 HB3 LEU 22 1HB LEU 22 9.329 -3.751 0.900 174 HD11 LEU 22 1HD1 LEU 22 8.908 -1.434 1.804 175 HD12 LEU 22 2HD1 LEU 22 10.272 -0.344 2.054 176 HD13 LEU 22 3HD1 LEU 22 10.011 -1.697 3.155 177 HD21 LEU 22 1HD2 LEU 22 12.394 -2.512 2.654 178 HD22 LEU 22 2HD2 LEU 22 12.567 -1.097 1.614 179 HD23 LEU 22 3HD2 LEU 22 12.873 -2.710 0.968 180 H LYS 23 H LYS 23 10.283 -6.806 2.124 181 HA LYS 23 HA LYS 23 7.551 -7.362 1.961 182 HB2 LYS 23 2HB LYS 23 9.774 -8.788 1.465 183 HB3 LYS 23 1HB LYS 23 9.361 -9.477 3.026 184 HG2 LYS 23 2HG LYS 23 7.573 -9.406 0.605 185 HG3 LYS 23 1HG LYS 23 8.494 -10.799 1.166 186 HD2 LYS 23 2HD LYS 23 7.200 -10.716 3.296 187 HD3 LYS 23 1HD LYS 23 6.224 -9.418 2.602 188 HE2 LYS 23 2HE LYS 23 5.629 -10.961 0.738 189 HE3 LYS 23 1HE LYS 23 6.472 -12.251 1.594 190 HZ1 LYS 23 1HZ LYS 23 4.061 -10.775 2.499 191 HZ2 LYS 23 2HZ LYS 23 4.941 -11.826 3.493 192 HZ3 LYS 23 3HZ LYS 23 4.172 -12.421 2.102 193 H MET 24 H MET 24 9.793 -7.673 4.687 194 HA MET 24 HA MET 24 7.768 -8.529 6.529 195 HB2 MET 24 2HB MET 24 10.591 -7.547 6.977 196 HB3 MET 24 1HB MET 24 9.556 -8.187 8.244 197 HG2 MET 24 2HG MET 24 9.453 -10.329 7.115 198 HG3 MET 24 1HG MET 24 10.430 -9.695 5.794 199 HE1 MET 24 1HE MET 24 11.060 -12.377 7.436 200 HE2 MET 24 2HE MET 24 12.810 -12.240 7.619 201 HE3 MET 24 3HE MET 24 12.042 -11.810 6.089 202 H ASP 25 H ASP 25 9.293 -5.487 5.692 203 HA ASP 25 HA ASP 25 8.379 -3.874 7.791 204 HB2 ASP 25 2HB ASP 25 10.053 -3.306 5.933 205 HB3 ASP 25 1HB ASP 25 8.656 -2.958 4.923 206 H LEU 26 H LEU 26 6.965 -4.460 4.588 207 HA LEU 26 HA LEU 26 4.613 -2.963 5.021 208 HG LEU 26 HG LEU 26 2.718 -4.801 3.263 209 HB2 LEU 26 2HB LEU 26 5.421 -3.530 2.790 210 HB3 LEU 26 1HB LEU 26 5.148 -5.232 3.102 211 HD11 LEU 26 1HD1 LEU 26 1.821 -2.646 2.534 212 HD12 LEU 26 2HD1 LEU 26 3.459 -1.997 2.440 213 HD13 LEU 26 3HD1 LEU 26 2.791 -2.484 3.998 214 HD21 LEU 26 1HD2 LEU 26 2.351 -4.367 0.874 215 HD22 LEU 26 2HD2 LEU 26 3.666 -5.510 1.148 216 HD23 LEU 26 3HD2 LEU 26 4.026 -3.836 0.723 217 H HIS 27 H HIS 27 5.332 -6.416 5.377 218 HA HIS 27 HA HIS 27 2.696 -7.251 5.899 219 HD1 HIS 27 1HD HIS 27 4.267 -10.321 8.544 220 HD2 HIS 27 2HD HIS 27 1.985 -9.863 5.095 221 HE1 HIS 27 1HE HIS 27 2.498 -12.120 8.646 222 HE2 HIS 27 2HE HIS 27 1.034 -11.711 6.624 223 HB2 HIS 27 2HB HIS 27 4.708 -8.708 5.351 224 HB3 HIS 27 1HB HIS 27 5.168 -8.550 7.044 225 H ASP 28 H ASP 28 5.199 -5.957 7.977 226 HA ASP 28 HA ASP 28 4.041 -6.504 10.475 227 HB2 ASP 28 2HB ASP 28 6.343 -5.780 10.290 228 HB3 ASP 28 1HB ASP 28 5.849 -4.252 9.571 229 H LEU 29 H LEU 29 3.787 -3.649 8.379 230 HA LEU 29 HA LEU 29 2.055 -2.265 10.193 231 HG LEU 29 HG LEU 29 0.765 -0.368 8.107 232 HB2 LEU 29 2HB LEU 29 3.636 -1.118 8.679 233 HB3 LEU 29 1HB LEU 29 2.706 -1.682 7.305 234 HD11 LEU 29 1HD1 LEU 29 1.102 1.305 9.863 235 HD12 LEU 29 2HD1 LEU 29 2.711 0.653 10.173 236 HD13 LEU 29 3HD1 LEU 29 1.283 -0.335 10.482 237 HD21 LEU 29 1HD2 LEU 29 2.298 0.568 6.453 238 HD22 LEU 29 2HD2 LEU 29 3.306 1.220 7.745 239 HD23 LEU 29 3HD2 LEU 29 1.663 1.822 7.516 240 H ALA 30 H ALA 30 1.643 -4.171 7.272 241 HA ALA 30 HA ALA 30 -1.098 -3.520 6.865 242 HB1 ALA 30 1HB ALA 30 0.351 -4.347 5.062 243 HB2 ALA 30 2HB ALA 30 -1.105 -5.324 5.242 244 HB3 ALA 30 3HB ALA 30 0.436 -5.916 5.861 245 H GLU 31 H GLU 31 0.551 -5.772 8.902 246 HA GLU 31 HA GLU 31 -1.590 -7.616 9.233 247 HB2 GLU 31 2HB GLU 31 0.817 -8.097 9.720 248 HB3 GLU 31 1HB GLU 31 0.686 -7.064 11.136 249 HG2 GLU 31 2HG GLU 31 -0.991 -8.544 12.081 250 HG3 GLU 31 1HG GLU 31 -0.911 -9.567 10.646 251 H ASP 32 H ASP 32 -0.578 -4.692 10.925 252 HA ASP 32 HA ASP 32 -3.071 -4.841 12.477 253 HB2 ASP 32 2HB ASP 32 -0.887 -5.047 13.807 254 HB3 ASP 32 1HB ASP 32 -0.630 -3.348 13.417 255 H LEU 33 H LEU 33 -4.267 -3.728 11.087 256 HA LEU 33 HA LEU 33 -3.371 -1.429 9.739 257 HG LEU 33 HG LEU 33 -4.050 -2.909 7.769 258 HB2 LEU 33 2HB LEU 33 -5.684 -3.121 9.577 259 HB3 LEU 33 1HB LEU 33 -6.114 -1.425 9.406 260 HD11 LEU 33 1HD1 LEU 33 -6.307 -3.492 7.138 261 HD12 LEU 33 2HD1 LEU 33 -5.573 -2.469 5.901 262 HD13 LEU 33 3HD1 LEU 33 -6.742 -1.784 7.031 263 HD21 LEU 33 1HD2 LEU 33 -3.374 -0.582 8.162 264 HD22 LEU 33 2HD2 LEU 33 -4.943 -0.031 7.578 265 HD23 LEU 33 3HD2 LEU 33 -3.832 -0.848 6.480 266 HA PRO 34 HA PRO 34 -4.440 2.361 9.826 267 HB2 PRO 34 2HB PRO 34 -5.612 2.103 12.586 268 HB3 PRO 34 1HB PRO 34 -5.635 3.509 11.501 269 HG2 PRO 34 2HG PRO 34 -7.583 1.496 11.530 270 HG3 PRO 34 1HG PRO 34 -7.294 2.615 10.187 271 HD2 PRO 34 2HD PRO 34 -6.934 -0.182 10.088 272 HD3 PRO 34 1HD PRO 34 -6.243 0.984 8.928 273 H THR 35 H THR 35 -3.844 1.549 13.228 274 HA THR 35 HA THR 35 -2.132 2.573 14.434 275 HB THR 35 HB THR 35 -0.745 0.505 12.726 276 HG1 THR 35 1HG THR 35 -1.765 -0.828 14.023 277 HG21 THR 35 1HG2 THR 35 0.938 0.410 14.511 278 HG22 THR 35 2HG2 THR 35 0.147 1.757 15.330 279 HG23 THR 35 3HG2 THR 35 0.903 2.002 13.755 280 H GLY 36 H GLY 36 -0.047 2.003 11.636 281 HA2 GLY 36 2HA GLY 36 0.481 4.908 11.521 282 HA3 GLY 36 1HA GLY 36 1.658 3.666 11.119 283 H TRP 37 H TRP 37 -1.719 3.863 10.180 284 HA TRP 37 HA TRP 37 -1.519 3.083 7.576 285 HD1 TRP 37 HD TRP 37 -3.519 4.460 11.084 286 HE1 TRP 37 1HE TRP 37 -4.403 6.767 11.803 287 HE3 TRP 37 3HE TRP 37 -4.149 6.555 6.467 288 HZ2 TRP 37 2HZ TRP 37 -5.265 9.159 10.573 289 HZ3 TRP 37 3HZ TRP 37 -5.015 8.855 6.323 290 HH2 TRP 37 HH TRP 37 -5.562 10.129 8.335 291 HB2 TRP 37 2HB TRP 37 -3.720 4.223 7.250 292 HB3 TRP 37 1HB TRP 37 -3.645 3.192 8.674 293 H ASN 38 H ASN 38 -0.819 6.233 8.870 294 HA ASN 38 HA ASN 38 -1.043 7.703 6.480 295 HB2 ASN 38 2HB ASN 38 -0.983 8.799 8.652 296 HB3 ASN 38 1HB ASN 38 0.652 8.211 8.930 297 HD21 ASN 38 1HD2 ASN 38 2.355 9.306 8.095 298 HD22 ASN 38 2HD2 ASN 38 2.202 10.776 7.190 299 H ARG 39 H ARG 39 1.301 5.437 7.569 300 HA ARG 39 HA ARG 39 3.262 6.454 5.632 301 HE ARG 39 HE ARG 39 7.829 5.056 6.216 302 HB2 ARG 39 2HB ARG 39 3.954 5.932 8.010 303 HB3 ARG 39 1HB ARG 39 3.685 4.235 7.631 304 HG2 ARG 39 2HG ARG 39 5.346 4.407 5.819 305 HG3 ARG 39 1HG ARG 39 5.645 6.080 6.284 306 HD2 ARG 39 2HD ARG 39 6.293 5.263 8.543 307 HD3 ARG 39 1HD ARG 39 6.141 3.612 7.938 308 HH11 ARG 39 1HH1 ARG 39 7.816 3.706 9.443 309 HH12 ARG 39 2HH1 ARG 39 9.542 3.568 9.533 310 HH21 ARG 39 1HH2 ARG 39 10.077 4.887 6.316 311 HH22 ARG 39 2HH2 ARG 39 10.839 4.249 7.747 312 H ILE 40 H ILE 40 0.718 4.399 5.595 313 HA ILE 40 HA ILE 40 1.616 1.979 4.569 314 HB ILE 40 HB ILE 40 -0.926 3.506 4.024 315 HG12 ILE 40 2HG1 ILE 40 -0.311 1.030 5.650 316 HG13 ILE 40 1HG1 ILE 40 -0.625 2.640 6.290 317 HG21 ILE 40 1HG2 ILE 40 -0.503 2.119 2.071 318 HG22 ILE 40 2HG2 ILE 40 -1.849 1.475 3.014 319 HG23 ILE 40 3HG2 ILE 40 -0.260 0.712 3.106 320 HD11 ILE 40 1HD1 ILE 40 -2.895 2.551 5.423 321 HD12 ILE 40 2HD1 ILE 40 -2.567 1.196 6.502 322 HD13 ILE 40 3HD1 ILE 40 -2.582 0.951 4.755 323 H MET 41 H MET 41 0.928 4.991 2.842 324 HA MET 41 HA MET 41 1.229 4.075 0.230 325 HB2 MET 41 2HB MET 41 0.326 6.280 0.728 326 HB3 MET 41 1HB MET 41 1.877 6.798 1.375 327 HG2 MET 41 2HG MET 41 1.524 7.683 -0.855 328 HG3 MET 41 1HG MET 41 2.884 6.563 -0.830 329 HE1 MET 41 1HE MET 41 -1.285 5.523 -2.509 330 HE2 MET 41 2HE MET 41 -0.847 7.119 -1.899 331 HE3 MET 41 3HE MET 41 -0.956 5.751 -0.790 332 H GLU 42 H GLU 42 3.686 5.376 2.432 333 HA GLU 42 HA GLU 42 5.817 5.355 0.592 334 HB2 GLU 42 2HB GLU 42 5.819 6.562 2.782 335 HB3 GLU 42 1HB GLU 42 5.978 5.012 3.591 336 HG2 GLU 42 2HG GLU 42 8.091 4.648 2.315 337 HG3 GLU 42 1HG GLU 42 7.954 6.303 1.728 338 H VAL 43 H VAL 43 4.946 3.083 3.161 339 HA VAL 43 HA VAL 43 6.956 1.213 2.743 340 HB VAL 43 HB VAL 43 4.150 0.563 3.645 341 HG11 VAL 43 1HG1 VAL 43 5.521 -1.396 3.170 342 HG12 VAL 43 2HG1 VAL 43 5.251 -1.235 4.905 343 HG13 VAL 43 3HG1 VAL 43 6.801 -0.767 4.207 344 HG21 VAL 43 1HG2 VAL 43 6.498 1.546 5.265 345 HG22 VAL 43 2HG2 VAL 43 4.959 0.987 5.920 346 HG23 VAL 43 3HG2 VAL 43 5.016 2.443 4.925 347 H ALA 44 H ALA 44 3.676 1.263 1.355 348 HA ALA 44 HA ALA 44 3.920 -1.142 -0.094 349 HB1 ALA 44 1HB ALA 44 1.767 -0.107 0.405 350 HB2 ALA 44 2HB ALA 44 1.958 -0.386 -1.327 351 HB3 ALA 44 3HB ALA 44 2.161 1.237 -0.667 352 H GLU 45 H GLU 45 4.451 2.237 -1.056 353 HA GLU 45 HA GLU 45 5.022 1.759 -3.759 354 HB2 GLU 45 2HB GLU 45 4.574 3.989 -2.731 355 HB3 GLU 45 1HB GLU 45 6.171 3.933 -2.002 356 HG2 GLU 45 2HG GLU 45 7.176 3.851 -4.237 357 HG3 GLU 45 1HG GLU 45 5.566 3.951 -4.951 358 H LYS 46 H LYS 46 7.202 2.019 -0.963 359 HA LYS 46 HA LYS 46 9.609 1.641 -2.337 360 HB2 LYS 46 2HB LYS 46 8.866 0.968 0.496 361 HB3 LYS 46 1HB LYS 46 10.507 0.902 -0.137 362 HG2 LYS 46 2HG LYS 46 10.374 3.282 -0.696 363 HG3 LYS 46 1HG LYS 46 8.749 3.340 -0.012 364 HD2 LYS 46 2HD LYS 46 11.286 2.657 1.465 365 HD3 LYS 46 1HD LYS 46 10.387 4.166 1.560 366 HE2 LYS 46 2HE LYS 46 8.426 2.865 2.395 367 HE3 LYS 46 1HE LYS 46 9.458 1.439 2.447 368 HZ1 LYS 46 1HZ LYS 46 9.652 3.908 4.074 369 HZ2 LYS 46 2HZ LYS 46 10.949 2.822 3.940 370 HZ3 LYS 46 3HZ LYS 46 9.476 2.305 4.609 371 H THR 47 H THR 47 7.426 -0.708 -0.833 372 HA THR 47 HA THR 47 9.001 -2.997 -1.239 373 HB THR 47 HB THR 47 5.976 -2.855 -1.156 374 HG1 THR 47 1HG THR 47 6.711 -1.934 0.720 375 HG21 THR 47 1HG2 THR 47 7.866 -5.111 -0.466 376 HG22 THR 47 2HG2 THR 47 6.868 -5.026 -1.917 377 HG23 THR 47 3HG2 THR 47 6.108 -5.149 -0.329 378 H TYR 48 H TYR 48 6.390 -1.598 -3.219 379 HA TYR 48 HA TYR 48 6.455 -3.502 -5.276 380 HD1 TYR 48 2HD TYR 48 4.148 -3.469 -7.080 381 HD2 TYR 48 1HD TYR 48 6.341 0.156 -7.458 382 HE1 TYR 48 2HE TYR 48 3.822 -3.527 -9.518 383 HE2 TYR 48 1HE TYR 48 6.019 0.108 -9.890 384 HH TYR 48 HH TYR 48 3.790 -1.909 -11.413 385 HB2 TYR 48 2HB TYR 48 4.587 -1.986 -5.123 386 HB3 TYR 48 1HB TYR 48 5.644 -0.590 -5.309 387 H GLU 49 H GLU 49 8.108 -0.372 -4.969 388 HA GLU 49 HA GLU 49 9.364 -0.349 -7.445 389 HB2 GLU 49 2HB GLU 49 9.885 0.945 -4.815 390 HB3 GLU 49 1HB GLU 49 11.111 1.060 -6.064 391 HG2 GLU 49 2HG GLU 49 8.241 1.879 -6.418 392 HG3 GLU 49 1HG GLU 49 9.557 2.979 -6.006 393 H ALA 50 H ALA 50 10.674 -1.487 -4.323 394 HA ALA 50 HA ALA 50 13.182 -2.249 -5.347 395 HB1 ALA 50 1HB ALA 50 12.758 -1.908 -2.962 396 HB2 ALA 50 2HB ALA 50 13.456 -3.499 -3.268 397 HB3 ALA 50 3HB ALA 50 11.730 -3.340 -2.934 398 H TYR 51 H TYR 51 10.161 -4.068 -4.961 399 HA TYR 51 HA TYR 51 11.311 -6.536 -5.772 400 HD1 TYR 51 1HD TYR 51 9.870 -9.002 -5.719 401 HD2 TYR 51 2HD TYR 51 8.924 -6.020 -2.836 402 HE1 TYR 51 1HE TYR 51 10.172 -10.651 -3.927 403 HE2 TYR 51 2HE TYR 51 9.221 -7.667 -1.028 404 HH TYR 51 HH TYR 51 10.643 -10.759 -1.596 405 HB2 TYR 51 2HB TYR 51 8.613 -5.568 -5.134 406 HB3 TYR 51 1HB TYR 51 8.663 -6.869 -6.322 407 H ARG 52 H ARG 52 9.575 -3.979 -7.523 408 HA ARG 52 HA ARG 52 9.540 -5.369 -9.989 409 HE ARG 52 HE ARG 52 9.009 -1.957 -13.812 410 HB2 ARG 52 2HB ARG 52 8.082 -3.445 -9.662 411 HB3 ARG 52 1HB ARG 52 9.477 -2.388 -9.471 412 HG2 ARG 52 2HG ARG 52 10.113 -2.676 -11.739 413 HG3 ARG 52 1HG ARG 52 8.946 -3.972 -11.965 414 HD2 ARG 52 2HD ARG 52 7.121 -2.366 -11.634 415 HD3 ARG 52 1HD ARG 52 8.303 -1.075 -11.428 416 HH11 ARG 52 1HH1 ARG 52 5.775 -1.374 -12.575 417 HH12 ARG 52 2HH1 ARG 52 5.114 -1.031 -14.149 418 HH21 ARG 52 1HH2 ARG 52 8.137 -1.502 -15.861 419 HH22 ARG 52 2HH2 ARG 52 6.452 -1.084 -16.007 420 H GLN 53 H GLN 53 11.748 -2.910 -8.680 421 HA GLN 53 HA GLN 53 13.574 -2.814 -10.780 422 HB2 GLN 53 2HB GLN 53 13.979 -2.480 -7.806 423 HB3 GLN 53 1HB GLN 53 15.252 -2.181 -8.975 424 HG2 GLN 53 2HG GLN 53 13.820 -0.473 -10.042 425 HG3 GLN 53 1HG GLN 53 12.616 -0.743 -8.785 426 HE21 GLN 53 1HE2 GLN 53 14.077 1.676 -9.457 427 HE22 GLN 53 2HE2 GLN 53 14.949 2.141 -8.033 428 H LEU 54 H LEU 54 13.394 -5.092 -8.075 429 HA LEU 54 HA LEU 54 15.769 -6.493 -8.618 430 HG LEU 54 HG LEU 54 16.171 -8.230 -6.950 431 HB2 LEU 54 2HB LEU 54 14.203 -6.618 -6.581 432 HB3 LEU 54 1HB LEU 54 13.253 -7.741 -7.529 433 HD11 LEU 54 1HD1 LEU 54 15.450 -9.651 -5.093 434 HD12 LEU 54 2HD1 LEU 54 13.793 -9.090 -5.312 435 HD13 LEU 54 3HD1 LEU 54 15.048 -7.957 -4.816 436 HD21 LEU 54 1HD2 LEU 54 15.581 -10.551 -7.363 437 HD22 LEU 54 2HD2 LEU 54 15.149 -9.550 -8.750 438 HD23 LEU 54 3HD2 LEU 54 13.897 -10.095 -7.633 439 H ASP 55 H ASP 55 12.423 -7.048 -9.699 440 HA ASP 55 HA ASP 55 12.959 -9.287 -11.330 441 HB2 ASP 55 2HB ASP 55 10.689 -8.730 -10.625 442 HB3 ASP 55 1HB ASP 55 10.753 -7.222 -11.533 443 H GLU 56 H GLU 56 12.832 -5.833 -12.013 444 HA GLU 56 HA GLU 56 13.257 -5.878 -14.767 445 HB2 GLU 56 2HB GLU 56 14.131 -3.866 -12.681 446 HB3 GLU 56 1HB GLU 56 14.214 -3.573 -14.408 447 HG2 GLU 56 2HG GLU 56 11.675 -4.186 -12.919 448 HG3 GLU 56 1HG GLU 56 12.251 -2.560 -13.282 449 H PHE 57 H PHE 57 15.619 -5.703 -12.123 450 HA PHE 57 HA PHE 57 17.904 -5.686 -13.758 451 HD1 PHE 57 2HD PHE 57 20.026 -4.684 -12.889 452 HD2 PHE 57 1HD PHE 57 19.416 -8.104 -10.429 453 HE1 PHE 57 2HE PHE 57 22.453 -5.100 -12.871 454 HE2 PHE 57 1HE PHE 57 21.838 -8.527 -10.411 455 HZ PHE 57 HZ PHE 57 23.360 -7.026 -11.631 456 HB2 PHE 57 2HB PHE 57 17.911 -5.091 -11.357 457 HB3 PHE 57 1HB PHE 57 17.616 -6.779 -10.952 458 H ARG 58 H ARG 58 16.014 -8.319 -12.354 459 HA ARG 58 HA ARG 58 17.690 -10.448 -13.059 460 HE ARG 58 HE ARG 58 18.353 -11.513 -12.052 461 HB2 ARG 58 2HB ARG 58 14.737 -10.219 -12.538 462 HB3 ARG 58 1HB ARG 58 15.467 -11.747 -12.990 463 HG2 ARG 58 2HG ARG 58 16.632 -10.221 -10.721 464 HG3 ARG 58 1HG ARG 58 15.121 -11.097 -10.478 465 HD2 ARG 58 2HD ARG 58 16.982 -12.488 -9.830 466 HD3 ARG 58 1HD ARG 58 16.214 -13.156 -11.266 467 HH11 ARG 58 1HH1 ARG 58 17.731 -14.557 -10.458 468 HH12 ARG 58 2HH1 ARG 58 19.233 -15.282 -10.957 469 HH21 ARG 58 1HH2 ARG 58 20.355 -12.462 -12.709 470 HH22 ARG 58 2HH2 ARG 58 20.730 -14.088 -12.218 471 H LYS 59 H LYS 59 14.971 -8.946 -14.805 472 HA LYS 59 HA LYS 59 15.090 -10.788 -16.979 473 HB2 LYS 59 2HB LYS 59 13.079 -9.422 -16.315 474 HB3 LYS 59 1HB LYS 59 13.891 -8.008 -16.967 475 HG2 LYS 59 2HG LYS 59 13.471 -10.397 -18.708 476 HG3 LYS 59 1HG LYS 59 12.134 -9.293 -18.391 477 HD2 LYS 59 2HD LYS 59 13.438 -7.432 -19.265 478 HD3 LYS 59 1HD LYS 59 14.818 -8.502 -19.526 479 HE2 LYS 59 2HE LYS 59 13.559 -9.782 -21.149 480 HE3 LYS 59 1HE LYS 59 12.120 -8.813 -20.836 481 HZ1 LYS 59 1HZ LYS 59 13.301 -8.141 -22.860 482 HZ2 LYS 59 2HZ LYS 59 14.668 -7.751 -21.933 483 HZ3 LYS 59 3HZ LYS 59 13.224 -6.887 -21.718 484 H SER 60 H SER 60 16.347 -7.524 -16.453 485 HA SER 60 HA SER 60 17.391 -7.168 -19.040 486 HG SER 60 HG SER 60 16.254 -5.309 -16.644 487 HB2 SER 60 2HB SER 60 18.325 -5.926 -16.446 488 HB3 SER 60 1HB SER 60 18.681 -5.328 -18.065 489 H THR 61 H THR 61 18.974 -8.233 -16.038 490 HA THR 61 HA THR 61 21.527 -8.457 -17.222 491 HB THR 61 HB THR 61 20.972 -8.259 -14.722 492 HG1 THR 61 1HG THR 61 23.083 -8.506 -15.142 493 HG21 THR 61 1HG2 THR 61 19.470 -10.189 -14.552 494 HG22 THR 61 2HG2 THR 61 20.863 -10.368 -13.484 495 HG23 THR 61 3HG2 THR 61 20.793 -11.264 -15.002 496 H ALA 62 H ALA 62 18.835 -10.682 -16.990 497 HA ALA 62 HA ALA 62 20.234 -13.059 -17.612 498 HB1 ALA 62 1HB ALA 62 17.952 -13.049 -16.708 499 HB2 ALA 62 2HB ALA 62 18.060 -13.974 -18.206 500 HB3 ALA 62 3HB ALA 62 17.365 -12.353 -18.219 501 H SER 63 H SER 63 18.684 -10.583 -19.602 502 HA SER 63 HA SER 63 19.210 -11.834 -22.091 503 HG SER 63 HG SER 63 17.900 -9.087 -23.737 504 HB2 SER 63 2HB SER 63 17.514 -10.058 -21.812 505 HB3 SER 63 1HB SER 63 18.796 -8.892 -21.491 506 H LEU 64 H LEU 64 21.021 -9.591 -20.071 507 HA LEU 64 HA LEU 64 23.089 -9.103 -21.960 508 HG LEU 64 HG LEU 64 23.410 -6.303 -19.621 509 HB2 LEU 64 2HB LEU 64 22.720 -8.594 -19.053 510 HB3 LEU 64 1HB LEU 64 24.348 -8.530 -19.697 511 HD11 LEU 64 1HD1 LEU 64 23.722 -5.641 -21.936 512 HD12 LEU 64 2HD1 LEU 64 23.528 -7.313 -22.457 513 HD13 LEU 64 3HD1 LEU 64 24.914 -6.851 -21.468 514 HD21 LEU 64 1HD2 LEU 64 21.041 -6.891 -19.722 515 HD22 LEU 64 2HD2 LEU 64 21.225 -7.359 -21.411 516 HD23 LEU 64 3HD2 LEU 64 21.452 -5.677 -20.934 517 H GLU 65 H GLU 65 22.586 -11.523 -19.477 518 HA GLU 65 HA GLU 65 25.167 -12.753 -19.810 519 HB2 GLU 65 2HB GLU 65 23.058 -12.966 -17.993 520 HB3 GLU 65 1HB GLU 65 23.067 -14.514 -18.824 521 HG2 GLU 65 2HG GLU 65 25.554 -13.336 -17.632 522 HG3 GLU 65 1HG GLU 65 24.421 -14.299 -16.698 523 H HIS 66 H HIS 66 22.579 -12.431 -21.716 524 HA HIS 66 HA HIS 66 22.063 -13.170 -23.784 525 HD1 HIS 66 1HD HIS 66 24.075 -16.496 -25.559 526 HD2 HIS 66 2HD HIS 66 23.212 -12.525 -26.451 527 HE1 HIS 66 1HE HIS 66 23.617 -16.438 -28.031 528 HE2 HIS 66 2HE HIS 66 22.938 -14.064 -28.516 529 HB2 HIS 66 2HB HIS 66 24.590 -13.256 -23.974 530 HB3 HIS 66 1HB HIS 66 24.477 -14.973 -23.617 531 H HIS 67 H HIS 67 20.953 -14.431 -21.448 532 HA HIS 67 HA HIS 67 20.733 -17.234 -22.181 533 HD1 HIS 67 1HD HIS 67 21.481 -18.869 -20.586 534 HD2 HIS 67 2HD HIS 67 21.513 -15.585 -18.042 535 HE1 HIS 67 1HE HIS 67 23.452 -19.212 -19.067 536 HE2 HIS 67 2HE HIS 67 23.611 -17.075 -17.745 537 HB2 HIS 67 2HB HIS 67 19.572 -15.639 -19.905 538 HB3 HIS 67 1HB HIS 67 19.095 -17.304 -20.228 539 H HIS 68 H HIS 68 19.964 -16.138 -24.297 540 HA HIS 68 HA HIS 68 17.122 -15.648 -24.395 541 HD1 HIS 68 1HD HIS 68 18.290 -16.522 -28.784 542 HD2 HIS 68 2HD HIS 68 15.531 -14.485 -26.428 543 HE1 HIS 68 1HE HIS 68 16.241 -16.247 -30.219 544 HE2 HIS 68 2HE HIS 68 14.693 -14.793 -28.861 545 HB2 HIS 68 2HB HIS 68 18.582 -14.486 -25.962 546 HB3 HIS 68 1HB HIS 68 19.199 -16.015 -26.569 547 H HIS 69 H HIS 69 16.524 -17.636 -23.329 548 HA HIS 69 HA HIS 69 16.249 -19.888 -25.129 549 HD1 HIS 69 1HD HIS 69 16.882 -21.712 -21.161 550 HD2 HIS 69 2HD HIS 69 17.358 -22.987 -25.096 551 HE1 HIS 69 1HE HIS 69 16.367 -24.175 -21.146 552 HE2 HIS 69 2HE HIS 69 16.777 -24.952 -23.514 553 HB2 HIS 69 2HB HIS 69 18.399 -20.447 -24.277 554 HB3 HIS 69 1HB HIS 69 17.955 -19.975 -22.642 555 H HIS 70 H HIS 70 14.406 -20.951 -24.760 556 HA HIS 70 HA HIS 70 13.330 -21.021 -22.034 557 HD1 HIS 70 1HD HIS 70 9.523 -21.983 -23.850 558 HD2 HIS 70 2HD HIS 70 12.323 -20.325 -26.441 559 HE1 HIS 70 1HE HIS 70 8.776 -22.632 -26.159 560 HE2 HIS 70 2HE HIS 70 10.556 -21.741 -27.703 561 HB2 HIS 70 2HB HIS 70 11.139 -20.508 -22.664 562 HB3 HIS 70 1HB HIS 70 12.072 -19.391 -23.653 563 H HIS 71 H HIS 71 11.954 -22.945 -21.682 564 HA HIS 71 HA HIS 71 12.834 -25.129 -23.445 565 HD1 HIS 71 1HD HIS 71 11.022 -27.680 -20.217 566 HD2 HIS 71 2HD HIS 71 14.045 -27.485 -23.072 567 HE1 HIS 71 1HE HIS 71 11.456 -30.060 -20.918 568 HE2 HIS 71 2HE HIS 71 13.135 -29.889 -22.792 569 HB2 HIS 71 2HB HIS 71 13.471 -25.272 -21.026 570 HB3 HIS 71 1HB HIS 71 11.759 -25.352 -20.625 571 HA MET 1 HA MET 1 -27.415 22.020 3.675 572 H1 MET 1 1H MET 1 -28.882 24.139 5.118 573 H2 MET 1 2H MET 1 -29.488 23.094 3.930 574 H3 MET 1 3H MET 1 -28.333 24.266 3.519 575 HB2 MET 1 2HB MET 1 -25.982 23.991 4.038 576 HB3 MET 1 1HB MET 1 -26.383 23.966 5.750 577 HG2 MET 1 2HG MET 1 -25.370 21.716 5.911 578 HG3 MET 1 1HG MET 1 -24.883 21.851 4.224 579 HE1 MET 1 1HE MET 1 -22.892 21.218 6.652 580 HE2 MET 1 2HE MET 1 -21.516 22.241 6.238 581 HE3 MET 1 3HE MET 1 -22.345 21.333 4.977 582 H SER 2 H SER 2 -27.257 23.071 7.040 583 HA SER 2 HA SER 2 -27.545 21.981 8.997 584 HG SER 2 HG SER 2 -29.885 22.755 7.626 585 HB2 SER 2 2HB SER 2 -29.632 20.401 7.476 586 HB3 SER 2 1HB SER 2 -29.458 20.451 9.231 587 H GLU 3 H GLU 3 -26.723 20.214 10.121 588 HA GLU 3 HA GLU 3 -25.630 18.066 8.441 589 HB2 GLU 3 2HB GLU 3 -23.953 19.489 9.627 590 HB3 GLU 3 1HB GLU 3 -24.618 18.937 11.154 591 HG2 GLU 3 2HG GLU 3 -23.911 16.717 10.757 592 HG3 GLU 3 1HG GLU 3 -23.524 17.069 9.075 593 H GLY 4 H GLY 4 -26.605 16.227 8.635 594 HA2 GLY 4 2HA GLY 4 -28.279 15.766 11.028 595 HA3 GLY 4 1HA GLY 4 -28.812 15.372 9.400 596 H ALA 5 H ALA 5 -28.148 13.884 12.027 597 HA ALA 5 HA ALA 5 -25.927 12.227 11.594 598 HB1 ALA 5 1HB ALA 5 -26.914 12.562 13.790 599 HB2 ALA 5 2HB ALA 5 -26.839 10.845 13.390 600 HB3 ALA 5 3HB ALA 5 -28.374 11.711 13.278 601 H GLU 6 H GLU 6 -29.054 12.129 10.174 602 HA GLU 6 HA GLU 6 -29.158 9.312 9.715 603 HB2 GLU 6 2HB GLU 6 -30.612 11.530 8.273 604 HB3 GLU 6 1HB GLU 6 -31.024 9.822 8.232 605 HG2 GLU 6 2HG GLU 6 -31.509 9.874 10.609 606 HG3 GLU 6 1HG GLU 6 -31.085 11.582 10.668 607 H GLU 7 H GLU 7 -28.601 12.062 7.533 608 HA GLU 7 HA GLU 7 -27.688 10.451 5.377 609 HB2 GLU 7 2HB GLU 7 -28.538 12.885 5.337 610 HB3 GLU 7 1HB GLU 7 -26.906 13.326 5.805 611 HG2 GLU 7 2HG GLU 7 -26.004 12.371 3.804 612 HG3 GLU 7 1HG GLU 7 -27.579 11.720 3.353 613 H LEU 8 H LEU 8 -26.124 12.037 8.077 614 HA LEU 8 HA LEU 8 -23.459 11.587 7.358 615 HG LEU 8 HG LEU 8 -22.267 13.142 8.867 616 HB2 LEU 8 2HB LEU 8 -24.965 12.189 9.809 617 HB3 LEU 8 1HB LEU 8 -23.445 11.366 10.063 618 HD11 LEU 8 1HD1 LEU 8 -24.960 14.473 8.684 619 HD12 LEU 8 2HD1 LEU 8 -24.022 13.832 7.336 620 HD13 LEU 8 3HD1 LEU 8 -23.412 15.206 8.258 621 HD21 LEU 8 1HD2 LEU 8 -22.635 14.933 10.530 622 HD22 LEU 8 2HD2 LEU 8 -22.465 13.334 11.253 623 HD23 LEU 8 3HD2 LEU 8 -24.062 14.065 11.098 624 H LYS 9 H LYS 9 -25.847 9.561 8.967 625 HA LYS 9 HA LYS 9 -24.171 7.413 9.643 626 HB2 LYS 9 2HB LYS 9 -26.495 7.732 10.472 627 HB3 LYS 9 1HB LYS 9 -27.096 7.330 8.873 628 HG2 LYS 9 2HG LYS 9 -26.069 5.091 9.088 629 HG3 LYS 9 1HG LYS 9 -25.593 5.507 10.737 630 HD2 LYS 9 2HD LYS 9 -27.962 5.877 11.303 631 HD3 LYS 9 1HD LYS 9 -28.413 5.406 9.664 632 HE2 LYS 9 2HE LYS 9 -27.411 3.191 10.048 633 HE3 LYS 9 1HE LYS 9 -27.020 3.671 11.701 634 HZ1 LYS 9 1HZ LYS 9 -29.737 3.410 10.521 635 HZ2 LYS 9 2HZ LYS 9 -29.421 4.025 12.066 636 HZ3 LYS 9 3HZ LYS 9 -29.041 2.412 11.705 637 H ALA 10 H ALA 10 -26.211 7.958 6.793 638 HA ALA 10 HA ALA 10 -25.495 5.615 5.414 639 HB1 ALA 10 1HB ALA 10 -26.365 6.750 3.418 640 HB2 ALA 10 2HB ALA 10 -26.408 8.271 4.310 641 HB3 ALA 10 3HB ALA 10 -27.443 6.930 4.802 642 H LYS 11 H LYS 11 -24.082 8.847 5.443 643 HA LYS 11 HA LYS 11 -22.182 8.396 3.387 644 HB2 LYS 11 2HB LYS 11 -23.044 10.587 4.692 645 HB3 LYS 11 1HB LYS 11 -21.558 10.308 5.584 646 HG2 LYS 11 2HG LYS 11 -21.785 10.702 2.607 647 HG3 LYS 11 1HG LYS 11 -21.243 11.908 3.771 648 HD2 LYS 11 2HD LYS 11 -19.376 10.371 4.385 649 HD3 LYS 11 1HD LYS 11 -19.885 9.306 3.073 650 HE2 LYS 11 2HE LYS 11 -18.925 12.154 2.830 651 HE3 LYS 11 1HE LYS 11 -18.067 10.703 2.318 652 HZ1 LYS 11 1HZ LYS 11 -20.575 11.794 1.163 653 HZ2 LYS 11 2HZ LYS 11 -19.921 10.289 0.740 654 HZ3 LYS 11 3HZ LYS 11 -19.057 11.712 0.416 655 H LEU 12 H LEU 12 -21.905 8.352 6.928 656 HA LEU 12 HA LEU 12 -19.198 7.571 7.007 657 HG LEU 12 HG LEU 12 -19.463 5.738 9.586 658 HB2 LEU 12 2HB LEU 12 -20.317 8.563 8.935 659 HB3 LEU 12 1HB LEU 12 -21.395 7.186 9.043 660 HD11 LEU 12 1HD1 LEU 12 -17.932 8.337 9.639 661 HD12 LEU 12 2HD1 LEU 12 -17.710 7.023 8.482 662 HD13 LEU 12 3HD1 LEU 12 -17.330 6.771 10.185 663 HD21 LEU 12 1HD2 LEU 12 -20.827 6.730 11.356 664 HD22 LEU 12 2HD2 LEU 12 -19.776 8.144 11.375 665 HD23 LEU 12 3HD2 LEU 12 -19.143 6.569 11.854 666 H LYS 13 H LYS 13 -22.206 5.735 6.941 667 HA LYS 13 HA LYS 13 -21.148 3.188 7.466 668 HB2 LYS 13 2HB LYS 13 -23.586 3.871 7.360 669 HB3 LYS 13 1HB LYS 13 -23.451 3.786 5.613 670 HG2 LYS 13 2HG LYS 13 -22.931 1.422 5.734 671 HG3 LYS 13 1HG LYS 13 -22.974 1.485 7.499 672 HD2 LYS 13 2HD LYS 13 -25.333 2.155 7.408 673 HD3 LYS 13 1HD LYS 13 -25.287 2.069 5.647 674 HE2 LYS 13 2HE LYS 13 -24.774 -0.236 7.522 675 HE3 LYS 13 1HE LYS 13 -26.291 0.067 6.679 676 HZ1 LYS 13 1HZ LYS 13 -23.667 -0.542 5.425 677 HZ2 LYS 13 2HZ LYS 13 -25.073 -0.144 4.569 678 HZ3 LYS 13 3HZ LYS 13 -25.015 -1.564 5.495 679 H LYS 14 H LYS 14 -21.585 4.962 4.446 680 HA LYS 14 HA LYS 14 -20.721 2.892 2.731 681 HB2 LYS 14 2HB LYS 14 -21.950 5.142 2.216 682 HB3 LYS 14 1HB LYS 14 -20.322 5.792 2.082 683 HG2 LYS 14 2HG LYS 14 -21.224 5.148 -0.092 684 HG3 LYS 14 1HG LYS 14 -19.799 4.195 0.331 685 HD2 LYS 14 2HD LYS 14 -21.520 2.767 -0.625 686 HD3 LYS 14 1HD LYS 14 -21.257 2.363 1.072 687 HE2 LYS 14 2HE LYS 14 -23.608 2.363 0.711 688 HE3 LYS 14 1HE LYS 14 -23.221 3.819 1.625 689 HZ1 LYS 14 1HZ LYS 14 -24.768 4.332 -0.126 690 HZ2 LYS 14 2HZ LYS 14 -23.741 3.663 -1.295 691 HZ3 LYS 14 3HZ LYS 14 -23.285 5.074 -0.474 692 H LEU 15 H LEU 15 -19.005 5.582 4.279 693 HA LEU 15 HA LEU 15 -16.456 4.993 3.170 694 HG LEU 15 HG LEU 15 -17.976 7.648 3.691 695 HB2 LEU 15 2HB LEU 15 -17.227 6.456 5.697 696 HB3 LEU 15 1HB LEU 15 -15.596 6.392 5.061 697 HD11 LEU 15 1HD1 LEU 15 -16.795 9.749 4.101 698 HD12 LEU 15 2HD1 LEU 15 -15.544 8.874 4.986 699 HD13 LEU 15 3HD1 LEU 15 -17.193 8.927 5.610 700 HD21 LEU 15 1HD2 LEU 15 -15.076 7.563 2.864 701 HD22 LEU 15 2HD2 LEU 15 -16.371 8.427 2.039 702 HD23 LEU 15 3HD2 LEU 15 -16.388 6.665 2.102 703 H ASN 16 H ASN 16 -18.094 4.074 6.138 704 HA ASN 16 HA ASN 16 -16.021 2.702 7.413 705 HB2 ASN 16 2HB ASN 16 -18.121 3.326 8.513 706 HB3 ASN 16 1HB ASN 16 -19.005 2.198 7.497 707 HD21 ASN 16 1HD2 ASN 16 -16.852 2.553 10.186 708 HD22 ASN 16 2HD2 ASN 16 -17.018 0.938 10.783 709 H ALA 17 H ALA 17 -18.566 1.499 5.239 710 HA ALA 17 HA ALA 17 -17.752 -1.185 5.205 711 HB1 ALA 17 1HB ALA 17 -19.115 -1.413 3.218 712 HB2 ALA 17 2HB ALA 17 -19.144 0.336 3.007 713 HB3 ALA 17 3HB ALA 17 -19.939 -0.397 4.400 714 H GLN 18 H GLN 18 -16.866 1.544 3.130 715 HA GLN 18 HA GLN 18 -15.231 0.176 1.313 716 HB2 GLN 18 2HB GLN 18 -15.951 2.502 0.995 717 HB3 GLN 18 1HB GLN 18 -14.961 3.007 2.359 718 HG2 GLN 18 2HG GLN 18 -12.952 2.290 1.141 719 HG3 GLN 18 1HG GLN 18 -13.963 1.842 -0.233 720 HE21 GLN 18 1HE2 GLN 18 -15.758 4.109 0.159 721 HE22 GLN 18 2HE2 GLN 18 -14.897 5.510 -0.389 722 H ALA 19 H ALA 19 -14.379 1.865 4.320 723 HA ALA 19 HA ALA 19 -11.637 1.292 4.303 724 HB1 ALA 19 1HB ALA 19 -13.419 1.727 6.698 725 HB2 ALA 19 2HB ALA 19 -12.684 3.001 5.724 726 HB3 ALA 19 3HB ALA 19 -11.665 1.902 6.653 727 H THR 20 H THR 20 -14.375 -0.611 5.368 728 HA THR 20 HA THR 20 -12.824 -2.557 6.781 729 HB THR 20 HB THR 20 -15.631 -2.826 5.683 730 HG1 THR 20 1HG THR 20 -15.405 -1.053 7.141 731 HG21 THR 20 1HG2 THR 20 -15.893 -4.524 7.435 732 HG22 THR 20 2HG2 THR 20 -14.201 -4.316 7.886 733 HG23 THR 20 3HG2 THR 20 -14.616 -4.968 6.302 734 H ALA 21 H ALA 21 -14.226 -2.335 3.533 735 HA ALA 21 HA ALA 21 -13.549 -4.922 2.659 736 HB1 ALA 21 1HB ALA 21 -15.132 -3.479 1.467 737 HB2 ALA 21 2HB ALA 21 -13.846 -4.049 0.403 738 HB3 ALA 21 3HB ALA 21 -13.808 -2.399 1.025 739 H LEU 22 H LEU 22 -11.825 -1.831 2.408 740 HA LEU 22 HA LEU 22 -9.537 -2.874 1.112 741 HG LEU 22 HG LEU 22 -9.356 0.759 0.558 742 HB2 LEU 22 2HB LEU 22 -10.150 -0.358 2.594 743 HB3 LEU 22 1HB LEU 22 -8.476 -0.740 2.244 744 HD11 LEU 22 1HD1 LEU 22 -7.706 -0.855 -0.158 745 HD12 LEU 22 2HD1 LEU 22 -8.864 -0.543 -1.452 746 HD13 LEU 22 3HD1 LEU 22 -8.974 -2.030 -0.508 747 HD21 LEU 22 1HD2 LEU 22 -11.154 0.054 -0.962 748 HD22 LEU 22 2HD2 LEU 22 -11.713 0.232 0.702 749 HD23 LEU 22 3HD2 LEU 22 -11.421 -1.375 0.039 750 H LYS 23 H LYS 23 -10.446 -2.571 4.490 751 HA LYS 23 HA LYS 23 -7.945 -3.076 5.656 752 HB2 LYS 23 2HB LYS 23 -10.174 -2.373 6.773 753 HB3 LYS 23 1HB LYS 23 -10.522 -4.095 6.830 754 HG2 LYS 23 2HG LYS 23 -8.489 -4.461 8.142 755 HG3 LYS 23 1HG LYS 23 -8.156 -2.729 8.097 756 HD2 LYS 23 2HD LYS 23 -9.189 -2.935 10.138 757 HD3 LYS 23 1HD LYS 23 -10.559 -2.540 9.101 758 HE2 LYS 23 2HE LYS 23 -11.186 -4.351 10.546 759 HE3 LYS 23 1HE LYS 23 -11.032 -4.975 8.902 760 HZ1 LYS 23 1HZ LYS 23 -8.866 -5.153 10.927 761 HZ2 LYS 23 2HZ LYS 23 -8.947 -5.953 9.429 762 HZ3 LYS 23 3HZ LYS 23 -10.011 -6.380 10.683 763 H MET 24 H MET 24 -10.501 -5.266 4.576 764 HA MET 24 HA MET 24 -9.139 -7.657 5.327 765 HB2 MET 24 2HB MET 24 -11.356 -7.171 3.328 766 HB3 MET 24 1HB MET 24 -10.790 -8.763 3.804 767 HG2 MET 24 2HG MET 24 -11.526 -8.381 6.074 768 HG3 MET 24 1HG MET 24 -12.006 -6.734 5.665 769 HE1 MET 24 1HE MET 24 -15.413 -8.643 6.228 770 HE2 MET 24 2HE MET 24 -14.430 -7.263 6.717 771 HE3 MET 24 3HE MET 24 -13.888 -8.902 7.078 772 H ASP 25 H ASP 25 -9.352 -5.730 2.404 773 HA ASP 25 HA ASP 25 -8.226 -7.649 0.652 774 HB2 ASP 25 2HB ASP 25 -9.644 -5.508 0.168 775 HB3 ASP 25 1HB ASP 25 -8.081 -4.699 0.133 776 H LEU 26 H LEU 26 -6.857 -4.829 2.315 777 HA LEU 26 HA LEU 26 -4.312 -4.950 1.135 778 HG LEU 26 HG LEU 26 -2.619 -4.022 3.565 779 HB2 LEU 26 2HB LEU 26 -5.177 -2.985 2.336 780 HB3 LEU 26 1HB LEU 26 -5.080 -3.868 3.847 781 HD11 LEU 26 1HD1 LEU 26 -2.537 -3.849 1.128 782 HD12 LEU 26 2HD1 LEU 26 -1.517 -2.634 1.898 783 HD13 LEU 26 3HD1 LEU 26 -3.081 -2.173 1.227 784 HD21 LEU 26 1HD2 LEU 26 -2.161 -1.683 4.102 785 HD22 LEU 26 2HD2 LEU 26 -3.613 -2.259 4.921 786 HD23 LEU 26 3HD2 LEU 26 -3.753 -1.230 3.495 787 H HIS 27 H HIS 27 -5.491 -6.331 4.209 788 HA HIS 27 HA HIS 27 -2.928 -7.361 4.918 789 HD1 HIS 27 1HD HIS 27 -5.667 -9.827 7.779 790 HD2 HIS 27 2HD HIS 27 -1.823 -8.484 6.940 791 HE1 HIS 27 1HE HIS 27 -4.130 -11.286 9.134 792 HE2 HIS 27 2HE HIS 27 -1.801 -10.561 8.491 793 HB2 HIS 27 2HB HIS 27 -4.621 -6.865 6.624 794 HB3 HIS 27 1HB HIS 27 -5.656 -8.133 5.976 795 H ASP 28 H ASP 28 -5.704 -8.678 3.199 796 HA ASP 28 HA ASP 28 -4.747 -11.360 3.137 797 HB2 ASP 28 2HB ASP 28 -7.112 -10.769 2.693 798 HB3 ASP 28 1HB ASP 28 -6.615 -9.980 1.198 799 H LEU 29 H LEU 29 -4.388 -8.558 1.042 800 HA LEU 29 HA LEU 29 -2.939 -9.882 -1.014 801 HG LEU 29 HG LEU 29 -1.141 -7.504 -1.860 802 HB2 LEU 29 2HB LEU 29 -4.102 -7.723 -1.311 803 HB3 LEU 29 1HB LEU 29 -2.937 -6.961 -0.245 804 HD11 LEU 29 1HD1 LEU 29 -1.726 -8.272 -4.095 805 HD12 LEU 29 2HD1 LEU 29 -3.416 -8.425 -3.613 806 HD13 LEU 29 3HD1 LEU 29 -2.192 -9.465 -2.881 807 HD21 LEU 29 1HD2 LEU 29 -3.468 -5.961 -3.002 808 HD22 LEU 29 2HD2 LEU 29 -1.790 -5.842 -3.533 809 HD23 LEU 29 3HD2 LEU 29 -2.239 -5.327 -1.908 810 H ALA 30 H ALA 30 -2.064 -8.415 2.030 811 HA ALA 30 HA ALA 30 0.726 -8.297 1.679 812 HB1 ALA 30 1HB ALA 30 -0.447 -7.210 3.547 813 HB2 ALA 30 2HB ALA 30 0.874 -8.237 4.102 814 HB3 ALA 30 3HB ALA 30 -0.792 -8.795 4.239 815 H GLU 31 H GLU 31 -1.423 -10.936 2.516 816 HA GLU 31 HA GLU 31 0.712 -12.791 3.012 817 HB2 GLU 31 2HB GLU 31 -2.171 -13.453 2.425 818 HB3 GLU 31 1HB GLU 31 -1.004 -14.411 3.306 819 HG2 GLU 31 2HG GLU 31 -2.347 -11.886 4.211 820 HG3 GLU 31 1HG GLU 31 -2.543 -13.508 4.869 821 H ASP 32 H ASP 32 -1.331 -11.804 0.355 822 HA ASP 32 HA ASP 32 -0.402 -13.935 -1.405 823 HB2 ASP 32 2HB ASP 32 -2.789 -13.093 -1.384 824 HB3 ASP 32 1HB ASP 32 -2.196 -11.585 -2.069 825 H LEU 33 H LEU 33 1.299 -11.720 -0.283 826 HA LEU 33 HA LEU 33 2.032 -9.891 -2.230 827 HG LEU 33 HG LEU 33 1.919 -8.990 0.452 828 HB2 LEU 33 2HB LEU 33 3.267 -10.966 0.223 829 HB3 LEU 33 1HB LEU 33 4.345 -10.160 -0.905 830 HD11 LEU 33 1HD1 LEU 33 3.925 -9.051 1.825 831 HD12 LEU 33 2HD1 LEU 33 3.546 -7.395 1.352 832 HD13 LEU 33 3HD1 LEU 33 4.845 -8.268 0.540 833 HD21 LEU 33 1HD2 LEU 33 3.625 -7.880 -1.774 834 HD22 LEU 33 2HD2 LEU 33 2.543 -6.905 -0.779 835 HD23 LEU 33 3HD2 LEU 33 1.888 -8.184 -1.802 836 HA PRO 34 HA PRO 34 4.735 -10.121 -5.396 837 HB2 PRO 34 2HB PRO 34 6.198 -12.415 -4.127 838 HB3 PRO 34 1HB PRO 34 6.777 -11.292 -5.370 839 HG2 PRO 34 2HG PRO 34 6.990 -10.857 -2.613 840 HG3 PRO 34 1HG PRO 34 7.108 -9.601 -3.859 841 HD2 PRO 34 2HD PRO 34 5.105 -9.736 -1.891 842 HD3 PRO 34 1HD PRO 34 4.982 -8.815 -3.412 843 H THR 35 H THR 35 2.365 -12.047 -4.524 844 HA THR 35 HA THR 35 2.417 -13.519 -7.056 845 HB THR 35 HB THR 35 0.276 -13.633 -4.925 846 HG1 THR 35 1HG THR 35 2.311 -14.294 -4.062 847 HG21 THR 35 1HG2 THR 35 1.040 -15.539 -7.145 848 HG22 THR 35 2HG2 THR 35 -0.355 -14.461 -7.148 849 HG23 THR 35 3HG2 THR 35 -0.261 -15.780 -5.979 850 H GLY 36 H GLY 36 0.235 -11.455 -5.145 851 HA2 GLY 36 2HA GLY 36 -0.805 -10.322 -7.659 852 HA3 GLY 36 1HA GLY 36 -1.600 -10.233 -6.092 853 H TRP 37 H TRP 37 1.795 -9.595 -6.695 854 HA TRP 37 HA TRP 37 1.854 -7.231 -5.218 855 HD1 TRP 37 HD TRP 37 2.979 -10.206 -7.859 856 HE1 TRP 37 1HE TRP 37 4.179 -10.340 -10.131 857 HE3 TRP 37 3HE TRP 37 5.582 -5.815 -7.637 858 HZ2 TRP 37 2HZ TRP 37 6.008 -8.770 -11.631 859 HZ3 TRP 37 3HZ TRP 37 7.034 -5.202 -9.526 860 HH2 TRP 37 HH TRP 37 7.245 -6.647 -11.483 861 HB2 TRP 37 2HB TRP 37 4.126 -6.936 -6.097 862 HB3 TRP 37 1HB TRP 37 3.838 -8.596 -5.592 863 H ASN 38 H ASN 38 0.896 -7.739 -8.468 864 HA ASN 38 HA ASN 38 1.377 -5.154 -9.522 865 HB2 ASN 38 2HB ASN 38 0.945 -6.958 -11.028 866 HB3 ASN 38 1HB ASN 38 -0.575 -7.346 -10.236 867 HD21 ASN 38 1HD2 ASN 38 1.057 -5.160 -12.403 868 HD22 ASN 38 2HD2 ASN 38 -0.374 -4.463 -13.087 869 H ARG 39 H ARG 39 -0.792 -6.289 -7.190 870 HA ARG 39 HA ARG 39 -2.816 -4.232 -7.694 871 HE ARG 39 HE ARG 39 -4.902 -5.369 -8.844 872 HB2 ARG 39 2HB ARG 39 -3.470 -6.606 -7.317 873 HB3 ARG 39 1HB ARG 39 -2.769 -6.517 -5.708 874 HG2 ARG 39 2HG ARG 39 -4.820 -6.002 -5.034 875 HG3 ARG 39 1HG ARG 39 -4.497 -4.403 -5.704 876 HD2 ARG 39 2HD ARG 39 -5.827 -6.694 -7.140 877 HD3 ARG 39 1HD ARG 39 -6.636 -5.275 -6.480 878 HH11 ARG 39 1HH1 ARG 39 -7.028 -3.548 -6.715 879 HH12 ARG 39 2HH1 ARG 39 -7.210 -2.233 -7.842 880 HH21 ARG 39 1HH2 ARG 39 -5.192 -3.643 -10.318 881 HH22 ARG 39 2HH2 ARG 39 -6.167 -2.275 -9.854 882 H ILE 40 H ILE 40 -0.015 -4.619 -5.855 883 HA ILE 40 HA ILE 40 -0.698 -4.004 -3.246 884 HB ILE 40 HB ILE 40 1.854 -3.304 -4.709 885 HG12 ILE 40 2HG1 ILE 40 1.197 -5.594 -2.845 886 HG13 ILE 40 1HG1 ILE 40 1.293 -5.720 -4.598 887 HG21 ILE 40 1HG2 ILE 40 1.657 -1.918 -2.731 888 HG22 ILE 40 2HG2 ILE 40 2.878 -3.162 -2.470 889 HG23 ILE 40 3HG2 ILE 40 1.280 -3.330 -1.747 890 HD11 ILE 40 1HD1 ILE 40 3.317 -6.547 -3.576 891 HD12 ILE 40 2HD1 ILE 40 3.548 -5.016 -2.734 892 HD13 ILE 40 3HD1 ILE 40 3.663 -5.081 -4.493 893 H MET 41 H MET 41 0.334 -1.660 -5.752 894 HA MET 41 HA MET 41 0.361 0.483 -3.892 895 HB2 MET 41 2HB MET 41 0.367 0.527 -6.907 896 HB3 MET 41 1HB MET 41 0.616 1.940 -5.890 897 HG2 MET 41 2HG MET 41 2.587 0.776 -4.897 898 HG3 MET 41 1HG MET 41 2.366 -0.498 -6.092 899 HE1 MET 41 1HE MET 41 3.561 3.861 -7.063 900 HE2 MET 41 2HE MET 41 3.442 3.204 -5.434 901 HE3 MET 41 3HE MET 41 1.982 3.442 -6.396 902 H GLU 42 H GLU 42 -2.014 -0.635 -6.224 903 HA GLU 42 HA GLU 42 -3.681 1.645 -6.071 904 HB2 GLU 42 2HB GLU 42 -3.621 -0.238 -7.834 905 HB3 GLU 42 1HB GLU 42 -4.670 -1.111 -6.731 906 HG2 GLU 42 2HG GLU 42 -6.398 0.435 -6.953 907 HG3 GLU 42 1HG GLU 42 -5.334 1.658 -7.646 908 H VAL 43 H VAL 43 -3.765 -1.503 -4.450 909 HA VAL 43 HA VAL 43 -6.068 -1.027 -2.903 910 HB VAL 43 HB VAL 43 -3.682 -2.777 -2.271 911 HG11 VAL 43 1HG1 VAL 43 -5.143 -3.918 -0.669 912 HG12 VAL 43 2HG1 VAL 43 -6.418 -2.742 -0.989 913 HG13 VAL 43 3HG1 VAL 43 -4.914 -2.227 -0.226 914 HG21 VAL 43 1HG2 VAL 43 -4.836 -3.420 -4.306 915 HG22 VAL 43 2HG2 VAL 43 -6.383 -3.396 -3.460 916 HG23 VAL 43 3HG2 VAL 43 -5.160 -4.594 -3.031 917 H ALA 44 H ALA 44 -2.628 -0.613 -2.078 918 HA ALA 44 HA ALA 44 -2.967 0.344 0.511 919 HB1 ALA 44 1HB ALA 44 -0.824 -0.367 -0.458 920 HB2 ALA 44 2HB ALA 44 -0.723 1.210 0.329 921 HB3 ALA 44 3HB ALA 44 -0.800 1.105 -1.430 922 H GLU 45 H GLU 45 -2.901 2.095 -2.562 923 HA GLU 45 HA GLU 45 -3.000 4.703 -1.536 924 HB2 GLU 45 2HB GLU 45 -2.504 4.167 -3.891 925 HB3 GLU 45 1HB GLU 45 -4.168 3.651 -4.120 926 HG2 GLU 45 2HG GLU 45 -4.933 5.924 -3.632 927 HG3 GLU 45 1HG GLU 45 -3.258 6.436 -3.426 928 H LYS 46 H LYS 46 -5.697 2.677 -2.737 929 HA LYS 46 HA LYS 46 -7.727 4.479 -2.011 930 HB2 LYS 46 2HB LYS 46 -7.618 1.638 -2.808 931 HB3 LYS 46 1HB LYS 46 -9.024 2.102 -1.862 932 HG2 LYS 46 2HG LYS 46 -9.900 2.607 -3.857 933 HG3 LYS 46 1HG LYS 46 -8.979 4.098 -3.680 934 HD2 LYS 46 2HD LYS 46 -7.838 1.656 -5.017 935 HD3 LYS 46 1HD LYS 46 -8.787 2.851 -5.898 936 HE2 LYS 46 2HE LYS 46 -6.272 3.437 -4.345 937 HE3 LYS 46 1HE LYS 46 -6.347 3.194 -6.087 938 HZ1 LYS 46 1HZ LYS 46 -7.943 5.112 -6.131 939 HZ2 LYS 46 2HZ LYS 46 -6.346 5.501 -5.717 940 HZ3 LYS 46 3HZ LYS 46 -7.534 5.411 -4.508 941 H THR 47 H THR 47 -6.156 1.904 -0.204 942 HA THR 47 HA THR 47 -7.829 1.893 2.049 943 HB THR 47 HB THR 47 -4.848 1.359 1.947 944 HG1 THR 47 1HG THR 47 -5.945 -0.017 0.528 945 HG21 THR 47 1HG2 THR 47 -6.938 0.459 3.933 946 HG22 THR 47 2HG2 THR 47 -5.682 1.659 4.231 947 HG23 THR 47 3HG2 THR 47 -5.243 -0.023 3.930 948 H TYR 48 H TYR 48 -4.891 3.764 1.333 949 HA TYR 48 HA TYR 48 -4.813 5.154 3.788 950 HD1 TYR 48 1HD TYR 48 -3.262 6.438 4.764 951 HD2 TYR 48 2HD TYR 48 -2.676 7.974 0.840 952 HE1 TYR 48 1HE TYR 48 -2.393 8.527 5.718 953 HE2 TYR 48 2HE TYR 48 -1.798 10.068 1.785 954 HH TYR 48 HH TYR 48 -0.997 10.383 5.111 955 HB2 TYR 48 2HB TYR 48 -2.848 4.992 2.352 956 HB3 TYR 48 1HB TYR 48 -3.667 5.902 1.087 957 H GLU 49 H GLU 49 -6.168 5.978 0.618 958 HA GLU 49 HA GLU 49 -6.988 8.576 1.154 959 HB2 GLU 49 2HB GLU 49 -8.256 6.496 -0.629 960 HB3 GLU 49 1HB GLU 49 -8.620 8.209 -0.672 961 HG2 GLU 49 2HG GLU 49 -6.324 8.700 -1.309 962 HG3 GLU 49 1HG GLU 49 -5.936 6.981 -1.235 963 H ALA 50 H ALA 50 -8.748 5.525 1.566 964 HA ALA 50 HA ALA 50 -11.195 6.621 2.370 965 HB1 ALA 50 1HB ALA 50 -11.719 4.394 3.218 966 HB2 ALA 50 2HB ALA 50 -10.019 3.941 3.103 967 HB3 ALA 50 3HB ALA 50 -10.935 4.300 1.640 968 H TYR 51 H TYR 51 -8.456 5.456 4.339 969 HA TYR 51 HA TYR 51 -9.738 5.912 6.805 970 HD1 TYR 51 1HD TYR 51 -9.900 4.222 7.674 971 HD2 TYR 51 2HD TYR 51 -6.024 3.369 6.143 972 HE1 TYR 51 1HE TYR 51 -10.346 1.814 7.901 973 HE2 TYR 51 2HE TYR 51 -6.462 0.961 6.367 974 HH TYR 51 HH TYR 51 -9.503 -0.319 6.819 975 HB2 TYR 51 2HB TYR 51 -6.839 5.579 6.070 976 HB3 TYR 51 1HB TYR 51 -7.372 5.821 7.727 977 H ARG 52 H ARG 52 -7.612 7.961 4.838 978 HA ARG 52 HA ARG 52 -7.322 10.031 6.718 979 HE ARG 52 HE ARG 52 -7.626 14.178 3.528 980 HB2 ARG 52 2HB ARG 52 -5.922 10.069 4.771 981 HB3 ARG 52 1HB ARG 52 -7.321 10.116 3.699 982 HG2 ARG 52 2HG ARG 52 -7.923 12.314 4.759 983 HG3 ARG 52 1HG ARG 52 -6.351 12.273 5.551 984 HD2 ARG 52 2HD ARG 52 -5.204 12.499 3.530 985 HD3 ARG 52 1HD ARG 52 -6.613 12.019 2.575 986 HH11 ARG 52 1HH1 ARG 52 -4.259 13.777 2.618 987 HH12 ARG 52 2HH1 ARG 52 -3.995 15.478 2.386 988 HH21 ARG 52 1HH2 ARG 52 -7.274 16.399 3.223 989 HH22 ARG 52 2HH2 ARG 52 -5.705 16.968 2.736 990 H GLN 53 H GLN 53 -9.615 9.715 4.025 991 HA GLN 53 HA GLN 53 -11.028 12.090 4.523 992 HB2 GLN 53 2HB GLN 53 -11.079 10.752 2.410 993 HB3 GLN 53 1HB GLN 53 -12.076 9.562 3.233 994 HG2 GLN 53 2HG GLN 53 -13.779 11.299 3.616 995 HG3 GLN 53 1HG GLN 53 -12.792 12.431 2.693 996 HE21 GLN 53 1HE2 GLN 53 -15.492 11.461 2.176 997 HE22 GLN 53 2HE2 GLN 53 -15.448 10.725 0.606 998 H LEU 54 H LEU 54 -11.471 8.811 5.717 999 HA LEU 54 HA LEU 54 -13.977 9.134 6.933 1000 HG LEU 54 HG LEU 54 -14.762 6.941 7.465 1001 HB2 LEU 54 2HB LEU 54 -12.379 7.044 6.567 1002 HB3 LEU 54 1HB LEU 54 -11.877 7.429 8.201 1003 HD11 LEU 54 1HD1 LEU 54 -14.471 4.670 8.307 1004 HD12 LEU 54 2HD1 LEU 54 -12.741 4.952 8.498 1005 HD13 LEU 54 3HD1 LEU 54 -13.465 4.958 6.887 1006 HD21 LEU 54 1HD2 LEU 54 -13.299 6.842 10.105 1007 HD22 LEU 54 2HD2 LEU 54 -15.009 6.486 9.852 1008 HD23 LEU 54 3HD2 LEU 54 -14.396 8.117 9.575 1009 H ASP 55 H ASP 55 -10.684 9.668 8.170 1010 HA ASP 55 HA ASP 55 -11.591 10.519 10.749 1011 HB2 ASP 55 2HB ASP 55 -9.347 9.545 10.437 1012 HB3 ASP 55 1HB ASP 55 -8.888 10.936 9.459 1013 H GLU 56 H GLU 56 -10.829 12.136 7.724 1014 HA GLU 56 HA GLU 56 -10.807 14.786 8.659 1015 HB2 GLU 56 2HB GLU 56 -11.558 13.588 6.002 1016 HB3 GLU 56 1HB GLU 56 -11.632 15.320 6.284 1017 HG2 GLU 56 2HG GLU 56 -9.208 15.173 6.980 1018 HG3 GLU 56 1HG GLU 56 -9.226 13.531 6.334 1019 H PHE 57 H PHE 57 -13.498 12.877 7.325 1020 HA PHE 57 HA PHE 57 -15.520 14.772 7.842 1021 HD1 PHE 57 1HD PHE 57 -17.579 14.494 6.055 1022 HD2 PHE 57 2HD PHE 57 -17.757 11.364 8.931 1023 HE1 PHE 57 1HE PHE 57 -20.016 14.773 6.196 1024 HE2 PHE 57 2HE PHE 57 -20.197 11.645 9.090 1025 HZ PHE 57 HZ PHE 57 -21.328 13.350 7.717 1026 HB2 PHE 57 2HB PHE 57 -15.748 12.785 6.345 1027 HB3 PHE 57 1HB PHE 57 -15.776 11.754 7.770 1028 H ARG 58 H ARG 58 -14.140 12.173 9.723 1029 HA ARG 58 HA ARG 58 -15.752 12.177 11.981 1030 HE ARG 58 HE ARG 58 -13.188 9.428 15.560 1031 HB2 ARG 58 2HB ARG 58 -14.008 10.532 11.487 1032 HB3 ARG 58 1HB ARG 58 -12.770 11.753 11.705 1033 HG2 ARG 58 2HG ARG 58 -13.433 11.916 14.092 1034 HG3 ARG 58 1HG ARG 58 -14.546 10.567 13.823 1035 HD2 ARG 58 2HD ARG 58 -12.635 9.220 13.000 1036 HD3 ARG 58 1HD ARG 58 -11.558 10.548 13.414 1037 HH11 ARG 58 1HH1 ARG 58 -10.059 9.727 13.990 1038 HH12 ARG 58 2HH1 ARG 58 -9.195 8.955 15.298 1039 HH21 ARG 58 1HH2 ARG 58 -12.052 8.469 17.287 1040 HH22 ARG 58 2HH2 ARG 58 -10.325 8.281 17.189 1041 H LYS 59 H LYS 59 -12.795 14.086 11.363 1042 HA LYS 59 HA LYS 59 -12.865 15.585 13.753 1043 HB2 LYS 59 2HB LYS 59 -11.701 16.227 11.042 1044 HB3 LYS 59 1HB LYS 59 -11.423 17.196 12.478 1045 HG2 LYS 59 2HG LYS 59 -10.679 14.294 12.233 1046 HG3 LYS 59 1HG LYS 59 -9.580 15.636 11.915 1047 HD2 LYS 59 2HD LYS 59 -10.144 16.435 14.266 1048 HD3 LYS 59 1HD LYS 59 -10.859 14.843 14.515 1049 HE2 LYS 59 2HE LYS 59 -8.012 15.332 13.654 1050 HE3 LYS 59 1HE LYS 59 -8.515 15.010 15.311 1051 HZ1 LYS 59 1HZ LYS 59 -9.403 12.866 14.547 1052 HZ2 LYS 59 2HZ LYS 59 -7.734 13.002 14.311 1053 HZ3 LYS 59 3HZ LYS 59 -8.787 13.165 12.993 1054 H SER 60 H SER 60 -14.232 16.206 10.553 1055 HA SER 60 HA SER 60 -15.089 18.833 11.039 1056 HG SER 60 HG SER 60 -17.393 18.969 9.523 1057 HB2 SER 60 2HB SER 60 -14.939 17.727 8.791 1058 HB3 SER 60 1HB SER 60 -16.399 16.821 9.195 1059 H THR 61 H THR 61 -16.775 15.745 11.413 1060 HA THR 61 HA THR 61 -19.179 17.048 12.323 1061 HB THR 61 HB THR 61 -19.058 14.839 11.009 1062 HG1 THR 61 1HG THR 61 -20.959 15.755 12.125 1063 HG21 THR 61 1HG2 THR 61 -19.010 12.807 12.403 1064 HG22 THR 61 2HG2 THR 61 -18.534 13.791 13.789 1065 HG23 THR 61 3HG2 THR 61 -17.464 13.653 12.392 1066 H ALA 62 H ALA 62 -16.319 15.786 13.814 1067 HA ALA 62 HA ALA 62 -17.253 15.123 16.359 1068 HB1 ALA 62 1HB ALA 62 -14.975 15.528 17.142 1069 HB2 ALA 62 2HB ALA 62 -14.608 16.389 15.646 1070 HB3 ALA 62 3HB ALA 62 -14.972 14.664 15.603 1071 H SER 63 H SER 63 -16.284 18.233 15.014 1072 HA SER 63 HA SER 63 -16.557 19.792 17.325 1073 HG SER 63 HG SER 63 -15.894 22.506 15.815 1074 HB2 SER 63 2HB SER 63 -15.518 20.553 15.185 1075 HB3 SER 63 1HB SER 63 -17.129 20.642 14.474 1076 H LEU 64 H LEU 64 -18.953 18.530 15.109 1077 HA LEU 64 HA LEU 64 -21.072 20.170 16.206 1078 HG LEU 64 HG LEU 64 -22.041 19.843 12.667 1079 HB2 LEU 64 2HB LEU 64 -20.915 18.122 14.029 1080 HB3 LEU 64 1HB LEU 64 -22.473 18.590 14.674 1081 HD11 LEU 64 1HD1 LEU 64 -22.240 22.129 13.515 1082 HD12 LEU 64 2HD1 LEU 64 -21.713 21.581 15.108 1083 HD13 LEU 64 3HD1 LEU 64 -23.238 20.999 14.436 1084 HD21 LEU 64 1HD2 LEU 64 -19.608 19.704 12.641 1085 HD22 LEU 64 2HD2 LEU 64 -19.521 20.811 14.010 1086 HD23 LEU 64 3HD2 LEU 64 -20.150 21.372 12.461 1087 H GLU 65 H GLU 65 -20.015 16.828 16.288 1088 HA GLU 65 HA GLU 65 -22.193 15.764 17.737 1089 HB2 GLU 65 2HB GLU 65 -20.503 14.484 16.418 1090 HB3 GLU 65 1HB GLU 65 -19.326 14.817 17.670 1091 HG2 GLU 65 2HG GLU 65 -21.840 13.504 18.502 1092 HG3 GLU 65 1HG GLU 65 -20.711 12.555 17.540 1093 H HIS 66 H HIS 66 -19.594 17.704 18.623 1094 HA HIS 66 HA HIS 66 -19.346 17.027 21.360 1095 HD1 HIS 66 1HD HIS 66 -18.281 21.305 21.962 1096 HD2 HIS 66 2HD HIS 66 -17.075 17.422 22.854 1097 HE1 HIS 66 1HE HIS 66 -17.183 21.433 24.222 1098 HE2 HIS 66 2HE HIS 66 -16.319 19.107 24.665 1099 HB2 HIS 66 2HB HIS 66 -17.688 18.370 20.033 1100 HB3 HIS 66 1HB HIS 66 -18.805 19.728 20.119 1101 H HIS 67 H HIS 67 -21.732 18.763 19.612 1102 HA HIS 67 HA HIS 67 -22.778 20.184 21.907 1103 HD1 HIS 67 1HD HIS 67 -22.288 20.818 17.649 1104 HD2 HIS 67 2HD HIS 67 -23.068 23.078 21.044 1105 HE1 HIS 67 1HE HIS 67 -21.117 23.012 17.280 1106 HE2 HIS 67 2HE HIS 67 -21.763 24.428 19.265 1107 HB2 HIS 67 2HB HIS 67 -23.940 19.727 19.149 1108 HB3 HIS 67 1HB HIS 67 -24.681 20.733 20.386 1109 H HIS 68 H HIS 68 -24.285 17.806 19.728 1110 HA HIS 68 HA HIS 68 -25.128 16.196 21.970 1111 HD1 HIS 68 1HD HIS 68 -28.517 16.238 18.990 1112 HD2 HIS 68 2HD HIS 68 -26.726 19.849 20.023 1113 HE1 HIS 68 1HE HIS 68 -29.197 17.875 17.201 1114 HE2 HIS 68 2HE HIS 68 -28.331 20.099 18.014 1115 HB2 HIS 68 2HB HIS 68 -27.532 16.238 21.322 1116 HB3 HIS 68 1HB HIS 68 -26.956 17.766 21.968 1117 H HIS 69 H HIS 69 -25.669 14.103 21.385 1118 HA HIS 69 HA HIS 69 -25.529 13.412 18.552 1119 HD1 HIS 69 1HD HIS 69 -22.679 10.158 20.593 1120 HD2 HIS 69 2HD HIS 69 -23.874 13.733 22.359 1121 HE1 HIS 69 1HE HIS 69 -22.074 9.954 23.026 1122 HE2 HIS 69 2HE HIS 69 -22.644 12.194 24.037 1123 HB2 HIS 69 2HB HIS 69 -23.868 11.618 19.000 1124 HB3 HIS 69 1HB HIS 69 -23.219 13.229 19.258 1125 H HIS 70 H HIS 70 -27.014 12.010 18.030 1126 HA HIS 70 HA HIS 70 -28.433 10.605 20.182 1127 HD1 HIS 70 1HD HIS 70 -30.511 8.959 17.100 1128 HD2 HIS 70 2HD HIS 70 -31.851 11.189 20.351 1129 HE1 HIS 70 1HE HIS 70 -32.666 7.883 17.824 1130 HE2 HIS 70 2HE HIS 70 -33.564 9.383 19.640 1131 HB2 HIS 70 2HB HIS 70 -29.763 12.215 18.861 1132 HB3 HIS 70 1HB HIS 70 -29.370 11.330 17.392 1133 H HIS 71 H HIS 71 -28.109 8.491 20.341 1134 HA HIS 71 HA HIS 71 -26.931 6.990 18.170 1135 HD1 HIS 71 1HD HIS 71 -25.728 7.037 22.326 1136 HD2 HIS 71 2HD HIS 71 -24.654 5.578 18.579 1137 HE1 HIS 71 1HE HIS 71 -23.213 7.076 22.275 1138 HE2 HIS 71 2HE HIS 71 -22.588 6.003 20.080 1139 HB2 HIS 71 2HB HIS 71 -27.690 6.351 21.000 1140 HB3 HIS 71 1HB HIS 71 -27.341 5.051 19.868 Start of MODEL 19 1 HA MET 1 HA MET 1 28.136 -0.504 -21.588 2 H1 MET 1 1H MET 1 27.446 0.001 -23.775 3 H2 MET 1 2H MET 1 26.465 -1.375 -23.871 4 H3 MET 1 3H MET 1 28.153 -1.542 -23.826 5 HB2 MET 1 2HB MET 1 25.161 -1.018 -21.854 6 HB3 MET 1 1HB MET 1 25.984 -0.535 -20.377 7 HG2 MET 1 2HG MET 1 25.837 1.089 -22.906 8 HG3 MET 1 1HG MET 1 24.839 1.332 -21.475 9 HE1 MET 1 1HE MET 1 26.689 3.574 -22.942 10 HE2 MET 1 2HE MET 1 27.274 4.419 -21.510 11 HE3 MET 1 3HE MET 1 25.594 3.885 -21.594 12 H SER 2 H SER 2 28.554 -1.967 -19.981 13 HA SER 2 HA SER 2 27.793 -4.767 -20.521 14 HG SER 2 HG SER 2 30.407 -4.990 -21.876 15 HB2 SER 2 2HB SER 2 30.439 -3.842 -19.373 16 HB3 SER 2 1HB SER 2 30.003 -5.481 -19.865 17 H GLU 3 H GLU 3 27.800 -6.142 -18.604 18 HA GLU 3 HA GLU 3 27.364 -4.637 -16.112 19 HB2 GLU 3 2HB GLU 3 25.874 -7.047 -17.148 20 HB3 GLU 3 1HB GLU 3 25.723 -6.429 -15.516 21 HG2 GLU 3 2HG GLU 3 24.784 -4.382 -16.292 22 HG3 GLU 3 1HG GLU 3 25.111 -4.812 -17.969 23 H GLY 4 H GLY 4 28.751 -5.159 -14.591 24 HA2 GLY 4 2HA GLY 4 30.422 -7.524 -14.854 25 HA3 GLY 4 1HA GLY 4 30.618 -6.230 -13.682 26 H ALA 5 H ALA 5 30.018 -9.371 -13.897 27 HA ALA 5 HA ALA 5 27.703 -9.937 -12.471 28 HB1 ALA 5 1HB ALA 5 30.284 -11.491 -12.497 29 HB2 ALA 5 2HB ALA 5 28.988 -11.615 -13.686 30 HB3 ALA 5 3HB ALA 5 28.706 -12.114 -12.018 31 H GLU 6 H GLU 6 30.828 -8.905 -11.306 32 HA GLU 6 HA GLU 6 30.535 -9.628 -8.612 33 HB2 GLU 6 2HB GLU 6 32.001 -7.234 -9.732 34 HB3 GLU 6 1HB GLU 6 32.258 -7.962 -8.154 35 HG2 GLU 6 2HG GLU 6 32.763 -9.307 -10.797 36 HG3 GLU 6 1HG GLU 6 33.991 -8.578 -9.763 37 H GLU 7 H GLU 7 29.840 -6.556 -10.240 38 HA GLU 7 HA GLU 7 28.664 -5.258 -8.025 39 HB2 GLU 7 2HB GLU 7 29.444 -4.122 -10.102 40 HB3 GLU 7 1HB GLU 7 28.120 -4.863 -10.979 41 HG2 GLU 7 2HG GLU 7 27.428 -2.677 -10.530 42 HG3 GLU 7 1HG GLU 7 26.566 -3.687 -9.373 43 H LEU 8 H LEU 8 27.427 -7.220 -10.642 44 HA LEU 8 HA LEU 8 24.698 -6.857 -10.243 45 HG LEU 8 HG LEU 8 23.883 -7.538 -12.603 46 HB2 LEU 8 2HB LEU 8 26.449 -8.784 -11.633 47 HB3 LEU 8 1HB LEU 8 24.820 -9.324 -11.302 48 HD11 LEU 8 1HD1 LEU 8 25.202 -5.838 -13.682 49 HD12 LEU 8 2HD1 LEU 8 26.685 -6.530 -13.024 50 HD13 LEU 8 3HD1 LEU 8 25.500 -5.797 -11.944 51 HD21 LEU 8 1HD2 LEU 8 26.231 -8.710 -14.077 52 HD22 LEU 8 2HD2 LEU 8 24.744 -8.086 -14.794 53 HD23 LEU 8 3HD2 LEU 8 24.701 -9.536 -13.791 54 H LYS 9 H LYS 9 26.862 -9.375 -8.997 55 HA LYS 9 HA LYS 9 24.822 -10.871 -7.719 56 HB2 LYS 9 2HB LYS 9 27.320 -11.454 -8.377 57 HB3 LYS 9 1HB LYS 9 27.654 -10.882 -6.751 58 HG2 LYS 9 2HG LYS 9 27.425 -13.267 -6.731 59 HG3 LYS 9 1HG LYS 9 26.065 -12.542 -5.871 60 HD2 LYS 9 2HD LYS 9 24.629 -12.851 -7.785 61 HD3 LYS 9 1HD LYS 9 25.983 -13.442 -8.749 62 HE2 LYS 9 2HE LYS 9 24.527 -15.252 -7.914 63 HE3 LYS 9 1HE LYS 9 26.191 -15.389 -7.347 64 HZ1 LYS 9 1HZ LYS 9 24.117 -14.068 -5.709 65 HZ2 LYS 9 2HZ LYS 9 25.600 -14.733 -5.212 66 HZ3 LYS 9 3HZ LYS 9 24.321 -15.750 -5.681 67 H ALA 10 H ALA 10 27.070 -8.421 -6.547 68 HA ALA 10 HA ALA 10 26.215 -8.577 -3.854 69 HB1 ALA 10 1HB ALA 10 27.414 -6.495 -3.538 70 HB2 ALA 10 2HB ALA 10 27.478 -6.236 -5.280 71 HB3 ALA 10 3HB ALA 10 28.366 -7.576 -4.557 72 H LYS 11 H LYS 11 25.279 -6.539 -6.595 73 HA LYS 11 HA LYS 11 23.550 -4.844 -5.064 74 HB2 LYS 11 2HB LYS 11 24.646 -4.320 -7.317 75 HB3 LYS 11 1HB LYS 11 23.395 -5.312 -8.045 76 HG2 LYS 11 2HG LYS 11 21.697 -3.835 -6.993 77 HG3 LYS 11 1HG LYS 11 23.008 -2.780 -6.470 78 HD2 LYS 11 2HD LYS 11 23.669 -2.454 -8.807 79 HD3 LYS 11 1HD LYS 11 22.349 -3.507 -9.322 80 HE2 LYS 11 2HE LYS 11 21.597 -1.263 -9.579 81 HE3 LYS 11 1HE LYS 11 20.771 -1.937 -8.176 82 HZ1 LYS 11 1HZ LYS 11 22.613 -0.856 -6.828 83 HZ2 LYS 11 2HZ LYS 11 21.471 0.182 -7.527 84 HZ3 LYS 11 3HZ LYS 11 23.002 0.009 -8.234 85 H LEU 12 H LEU 12 23.043 -7.702 -7.113 86 HA LEU 12 HA LEU 12 20.244 -7.773 -6.969 87 HG LEU 12 HG LEU 12 19.847 -10.876 -6.477 88 HB2 LEU 12 2HB LEU 12 21.544 -9.288 -8.421 89 HB3 LEU 12 1HB LEU 12 22.132 -10.135 -7.003 90 HD11 LEU 12 1HD1 LEU 12 18.648 -8.961 -7.427 91 HD12 LEU 12 2HD1 LEU 12 18.031 -10.492 -8.048 92 HD13 LEU 12 3HD1 LEU 12 19.085 -9.494 -9.050 93 HD21 LEU 12 1HD2 LEU 12 20.690 -11.440 -9.321 94 HD22 LEU 12 2HD2 LEU 12 19.566 -12.410 -8.368 95 HD23 LEU 12 3HD2 LEU 12 21.257 -12.284 -7.881 96 H LYS 13 H LYS 13 22.694 -9.196 -4.810 97 HA LYS 13 HA LYS 13 20.921 -10.163 -2.860 98 HB2 LYS 13 2HB LYS 13 23.436 -10.512 -2.927 99 HB3 LYS 13 1HB LYS 13 23.592 -8.904 -2.234 100 HG2 LYS 13 2HG LYS 13 22.244 -9.606 -0.307 101 HG3 LYS 13 1HG LYS 13 22.137 -11.227 -0.988 102 HD2 LYS 13 2HD LYS 13 24.568 -11.449 -0.838 103 HD3 LYS 13 1HD LYS 13 24.670 -9.825 -0.148 104 HE2 LYS 13 2HE LYS 13 23.324 -10.524 1.751 105 HE3 LYS 13 1HE LYS 13 23.135 -12.130 1.050 106 HZ1 LYS 13 1HZ LYS 13 25.609 -12.324 1.179 107 HZ2 LYS 13 2HZ LYS 13 24.813 -12.271 2.672 108 HZ3 LYS 13 3HZ LYS 13 25.621 -10.892 2.097 109 H LYS 14 H LYS 14 22.416 -6.985 -3.210 110 HA LYS 14 HA LYS 14 21.439 -5.779 -0.898 111 HB2 LYS 14 2HB LYS 14 22.085 -4.566 -3.590 112 HB3 LYS 14 1HB LYS 14 21.773 -3.622 -2.147 113 HG2 LYS 14 2HG LYS 14 24.070 -5.454 -2.717 114 HG3 LYS 14 1HG LYS 14 24.102 -3.738 -2.308 115 HD2 LYS 14 2HD LYS 14 23.118 -5.863 -0.415 116 HD3 LYS 14 1HD LYS 14 24.798 -5.331 -0.473 117 HE2 LYS 14 2HE LYS 14 22.486 -3.454 -0.038 118 HE3 LYS 14 1HE LYS 14 23.352 -4.243 1.280 119 HZ1 LYS 14 1HZ LYS 14 25.392 -3.211 0.523 120 HZ2 LYS 14 2HZ LYS 14 24.217 -2.033 0.852 121 HZ3 LYS 14 3HZ LYS 14 24.572 -2.453 -0.755 122 H LEU 15 H LEU 15 20.026 -5.696 -4.171 123 HA LEU 15 HA LEU 15 17.672 -4.327 -3.433 124 HG LEU 15 HG LEU 15 17.666 -4.071 -7.088 125 HB2 LEU 15 2HB LEU 15 18.538 -5.955 -5.762 126 HB3 LEU 15 1HB LEU 15 16.815 -5.723 -5.554 127 HD11 LEU 15 1HD1 LEU 15 15.872 -3.386 -5.583 128 HD12 LEU 15 2HD1 LEU 15 16.925 -2.033 -6.001 129 HD13 LEU 15 3HD1 LEU 15 17.068 -2.808 -4.423 130 HD21 LEU 15 1HD2 LEU 15 19.325 -2.415 -6.429 131 HD22 LEU 15 2HD2 LEU 15 19.991 -4.048 -6.369 132 HD23 LEU 15 3HD2 LEU 15 19.527 -3.227 -4.878 133 H ASN 16 H ASN 16 18.477 -7.748 -3.585 134 HA ASN 16 HA ASN 16 15.964 -8.856 -3.063 135 HB2 ASN 16 2HB ASN 16 18.044 -10.097 -3.732 136 HB3 ASN 16 1HB ASN 16 18.634 -9.897 -2.085 137 HD21 ASN 16 1HD2 ASN 16 16.412 -11.527 -4.156 138 HD22 ASN 16 2HD2 ASN 16 15.885 -12.711 -3.019 139 H ALA 17 H ALA 17 18.525 -7.839 -0.835 140 HA ALA 17 HA ALA 17 17.195 -8.502 1.557 141 HB1 ALA 17 1HB ALA 17 19.278 -6.367 1.109 142 HB2 ALA 17 2HB ALA 17 19.605 -8.069 1.441 143 HB3 ALA 17 3HB ALA 17 18.820 -7.065 2.660 144 H GLN 18 H GLN 18 17.268 -5.541 -0.365 145 HA GLN 18 HA GLN 18 15.803 -3.895 1.380 146 HB2 GLN 18 2HB GLN 18 17.087 -3.103 -0.604 147 HB3 GLN 18 1HB GLN 18 15.851 -3.800 -1.643 148 HG2 GLN 18 2HG GLN 18 14.187 -2.293 -0.671 149 HG3 GLN 18 1HG GLN 18 15.431 -1.594 0.362 150 HE21 GLN 18 1HE2 GLN 18 17.451 -1.766 -1.765 151 HE22 GLN 18 2HE2 GLN 18 17.084 -0.482 -2.860 152 H ALA 19 H ALA 19 14.746 -5.933 -1.335 153 HA ALA 19 HA ALA 19 12.001 -5.377 -1.123 154 HB1 ALA 19 1HB ALA 19 13.035 -6.418 -3.086 155 HB2 ALA 19 2HB ALA 19 11.660 -7.349 -2.493 156 HB3 ALA 19 3HB ALA 19 13.304 -7.892 -2.155 157 H THR 20 H THR 20 14.018 -7.814 0.444 158 HA THR 20 HA THR 20 11.928 -9.281 1.641 159 HB THR 20 HB THR 20 14.779 -8.941 2.601 160 HG1 THR 20 1HG THR 20 14.607 -9.767 0.445 161 HG21 THR 20 1HG2 THR 20 12.765 -11.122 3.161 162 HG22 THR 20 2HG2 THR 20 13.292 -9.889 4.306 163 HG23 THR 20 3HG2 THR 20 14.438 -11.092 3.714 164 H ALA 21 H ALA 21 13.782 -6.461 2.696 165 HA ALA 21 HA ALA 21 12.849 -6.324 5.344 166 HB1 ALA 21 1HB ALA 21 14.774 -5.043 4.546 167 HB2 ALA 21 2HB ALA 21 13.571 -3.989 5.287 168 HB3 ALA 21 3HB ALA 21 13.705 -4.067 3.532 169 H LEU 22 H LEU 22 11.600 -4.880 2.353 170 HA LEU 22 HA LEU 22 9.384 -3.607 3.623 171 HG LEU 22 HG LEU 22 9.790 -1.753 0.473 172 HB2 LEU 22 2HB LEU 22 10.152 -4.169 0.790 173 HB3 LEU 22 1HB LEU 22 8.509 -3.678 1.144 174 HD11 LEU 22 1HD1 LEU 22 9.462 -0.301 2.415 175 HD12 LEU 22 2HD1 LEU 22 9.270 -1.722 3.441 176 HD13 LEU 22 3HD1 LEU 22 8.094 -1.385 2.170 177 HD21 LEU 22 1HD2 LEU 22 12.021 -2.551 1.038 178 HD22 LEU 22 2HD2 LEU 22 11.647 -2.399 2.756 179 HD23 LEU 22 3HD2 LEU 22 11.717 -0.962 1.737 180 H LYS 23 H LYS 23 9.872 -6.705 2.033 181 HA LYS 23 HA LYS 23 7.252 -7.590 1.804 182 HB2 LYS 23 2HB LYS 23 9.121 -8.781 0.817 183 HB3 LYS 23 1HB LYS 23 9.774 -9.145 2.406 184 HG2 LYS 23 2HG LYS 23 7.978 -10.644 2.881 185 HG3 LYS 23 1HG LYS 23 7.116 -10.157 1.419 186 HD2 LYS 23 2HD LYS 23 8.873 -11.098 0.034 187 HD3 LYS 23 1HD LYS 23 9.821 -11.499 1.466 188 HE2 LYS 23 2HE LYS 23 7.086 -12.612 0.867 189 HE3 LYS 23 1HE LYS 23 8.596 -13.430 0.481 190 HZ1 LYS 23 1HZ LYS 23 7.761 -14.270 2.542 191 HZ2 LYS 23 2HZ LYS 23 7.606 -12.711 3.188 192 HZ3 LYS 23 3HZ LYS 23 9.147 -13.348 2.874 193 H MET 24 H MET 24 9.460 -7.978 4.581 194 HA MET 24 HA MET 24 7.465 -9.313 6.144 195 HB2 MET 24 2HB MET 24 9.058 -9.178 7.988 196 HB3 MET 24 1HB MET 24 9.836 -9.755 6.524 197 HG2 MET 24 2HG MET 24 10.843 -7.598 6.156 198 HG3 MET 24 1HG MET 24 9.979 -6.926 7.537 199 HE1 MET 24 1HE MET 24 10.421 -7.631 10.045 200 HE2 MET 24 2HE MET 24 11.621 -8.826 10.539 201 HE3 MET 24 3HE MET 24 10.186 -9.333 9.646 202 H ASP 25 H ASP 25 8.469 -6.003 5.727 203 HA ASP 25 HA ASP 25 7.260 -4.967 8.092 204 HB2 ASP 25 2HB ASP 25 9.052 -3.851 6.609 205 HB3 ASP 25 1HB ASP 25 7.715 -3.390 5.560 206 H LEU 26 H LEU 26 6.255 -5.246 4.712 207 HA LEU 26 HA LEU 26 3.839 -3.862 4.854 208 HG LEU 26 HG LEU 26 2.111 -5.708 3.085 209 HB2 LEU 26 2HB LEU 26 4.880 -4.554 2.752 210 HB3 LEU 26 1HB LEU 26 4.555 -6.234 3.133 211 HD11 LEU 26 1HD1 LEU 26 3.065 -3.079 1.960 212 HD12 LEU 26 2HD1 LEU 26 2.256 -3.312 3.508 213 HD13 LEU 26 3HD1 LEU 26 1.392 -3.640 2.008 214 HD21 LEU 26 1HD2 LEU 26 3.217 -6.738 1.183 215 HD22 LEU 26 2HD2 LEU 26 3.666 -5.149 0.567 216 HD23 LEU 26 3HD2 LEU 26 1.968 -5.612 0.644 217 H HIS 27 H HIS 27 4.515 -7.297 5.472 218 HA HIS 27 HA HIS 27 1.822 -8.049 5.840 219 HD1 HIS 27 1HD HIS 27 3.381 -11.090 8.719 220 HD2 HIS 27 2HD HIS 27 0.845 -10.561 5.465 221 HE1 HIS 27 1HE HIS 27 1.550 -12.782 9.008 222 HE2 HIS 27 2HE HIS 27 0.115 -12.562 6.950 223 HB2 HIS 27 2HB HIS 27 3.747 -9.637 5.496 224 HB3 HIS 27 1HB HIS 27 4.216 -9.333 7.166 225 H ASP 28 H ASP 28 4.268 -6.796 8.051 226 HA ASP 28 HA ASP 28 2.669 -7.132 10.396 227 HB2 ASP 28 2HB ASP 28 5.137 -7.001 10.481 228 HB3 ASP 28 1HB ASP 28 5.052 -5.323 9.954 229 H LEU 29 H LEU 29 3.219 -4.539 8.094 230 HA LEU 29 HA LEU 29 1.829 -2.514 9.500 231 HG LEU 29 HG LEU 29 0.574 -1.101 6.975 232 HB2 LEU 29 2HB LEU 29 3.365 -2.053 7.635 233 HB3 LEU 29 1HB LEU 29 2.263 -2.845 6.528 234 HD11 LEU 29 1HD1 LEU 29 1.236 -0.488 9.232 235 HD12 LEU 29 2HD1 LEU 29 1.229 0.928 8.180 236 HD13 LEU 29 3HD1 LEU 29 2.757 0.167 8.625 237 HD21 LEU 29 1HD2 LEU 29 2.094 -0.878 5.086 238 HD22 LEU 29 2HD2 LEU 29 3.269 -0.058 6.113 239 HD23 LEU 29 3HD2 LEU 29 1.714 0.701 5.774 240 H ALA 30 H ALA 30 0.831 -4.949 7.155 241 HA ALA 30 HA ALA 30 -1.857 -4.100 6.904 242 HB1 ALA 30 1HB ALA 30 -0.806 -5.595 5.279 243 HB2 ALA 30 2HB ALA 30 -2.273 -6.309 5.950 244 HB3 ALA 30 3HB ALA 30 -0.693 -6.853 6.509 245 H GLU 31 H GLU 31 -0.180 -6.073 9.250 246 HA GLU 31 HA GLU 31 -2.569 -7.002 10.523 247 HB2 GLU 31 2HB GLU 31 0.329 -7.009 11.360 248 HB3 GLU 31 1HB GLU 31 -0.956 -7.708 12.321 249 HG2 GLU 31 2HG GLU 31 -1.492 -9.201 10.406 250 HG3 GLU 31 1HG GLU 31 -0.065 -8.569 9.587 251 H ASP 32 H ASP 32 -0.203 -4.437 11.068 252 HA ASP 32 HA ASP 32 -1.563 -3.549 13.484 253 HB2 ASP 32 2HB ASP 32 0.991 -3.628 13.111 254 HB3 ASP 32 1HB ASP 32 0.762 -2.164 12.160 255 H LEU 33 H LEU 33 -2.846 -3.419 10.878 256 HA LEU 33 HA LEU 33 -3.098 -0.886 9.835 257 HG LEU 33 HG LEU 33 -3.201 -2.891 8.007 258 HB2 LEU 33 2HB LEU 33 -4.737 -3.320 9.852 259 HB3 LEU 33 1HB LEU 33 -5.606 -1.835 9.502 260 HD11 LEU 33 1HD1 LEU 33 -4.775 -3.076 6.131 261 HD12 LEU 33 2HD1 LEU 33 -6.092 -2.589 7.200 262 HD13 LEU 33 3HD1 LEU 33 -5.234 -4.103 7.489 263 HD21 LEU 33 1HD2 LEU 33 -4.805 -0.369 7.552 264 HD22 LEU 33 2HD2 LEU 33 -3.533 -0.985 6.498 265 HD23 LEU 33 3HD2 LEU 33 -3.140 -0.443 8.130 266 HA PRO 34 HA PRO 34 -5.753 2.307 10.739 267 HB2 PRO 34 2HB PRO 34 -6.827 0.711 13.044 268 HB3 PRO 34 1HB PRO 34 -7.487 2.197 12.332 269 HG2 PRO 34 2HG PRO 34 -8.072 -0.396 11.432 270 HG3 PRO 34 1HG PRO 34 -8.309 1.089 10.493 271 HD2 PRO 34 2HD PRO 34 -6.536 -0.978 9.796 272 HD3 PRO 34 1HD PRO 34 -6.411 0.702 9.206 273 H THR 35 H THR 35 -3.163 0.857 11.963 274 HA THR 35 HA THR 35 -2.480 3.520 12.993 275 HB THR 35 HB THR 35 -0.916 1.121 13.870 276 HG1 THR 35 1HG THR 35 -2.689 0.521 14.927 277 HG21 THR 35 1HG2 THR 35 0.044 3.337 14.192 278 HG22 THR 35 2HG2 THR 35 -0.339 2.591 15.743 279 HG23 THR 35 3HG2 THR 35 -1.394 3.841 15.081 280 H GLY 36 H GLY 36 -0.452 4.273 12.299 281 HA2 GLY 36 2HA GLY 36 1.280 4.562 10.827 282 HA3 GLY 36 1HA GLY 36 1.345 2.814 10.694 283 H TRP 37 H TRP 37 -1.690 4.115 9.859 284 HA TRP 37 HA TRP 37 -1.715 3.216 7.261 285 HD1 TRP 37 HD TRP 37 -3.422 7.221 6.808 286 HE1 TRP 37 1HE TRP 37 -3.862 9.070 8.547 287 HE3 TRP 37 3HE TRP 37 -3.671 4.334 11.030 288 HZ2 TRP 37 2HZ TRP 37 -4.270 9.272 11.324 289 HZ3 TRP 37 3HZ TRP 37 -4.099 5.440 13.186 290 HH2 TRP 37 HH TRP 37 -4.390 7.859 13.326 291 HB2 TRP 37 2HB TRP 37 -3.731 4.545 6.932 292 HB3 TRP 37 1HB TRP 37 -3.746 3.807 8.529 293 H ASN 38 H ASN 38 -0.474 6.237 8.486 294 HA ASN 38 HA ASN 38 -0.444 7.649 6.027 295 HB2 ASN 38 2HB ASN 38 -0.217 8.753 8.223 296 HB3 ASN 38 1HB ASN 38 1.356 7.991 8.437 297 HD21 ASN 38 1HD2 ASN 38 2.472 9.903 8.564 298 HD22 ASN 38 2HD2 ASN 38 2.699 10.963 7.212 299 H ARG 39 H ARG 39 1.611 5.217 7.399 300 HA ARG 39 HA ARG 39 3.863 5.872 5.680 301 HE ARG 39 HE ARG 39 8.123 3.917 7.342 302 HB2 ARG 39 2HB ARG 39 4.088 5.019 8.064 303 HB3 ARG 39 1HB ARG 39 3.572 3.449 7.461 304 HG2 ARG 39 2HG ARG 39 5.495 3.499 5.878 305 HG3 ARG 39 1HG ARG 39 6.040 4.978 6.670 306 HD2 ARG 39 2HD ARG 39 6.084 3.697 8.822 307 HD3 ARG 39 1HD ARG 39 5.763 2.236 7.886 308 HH11 ARG 39 1HH1 ARG 39 6.716 0.803 8.132 309 HH12 ARG 39 2HH1 ARG 39 8.213 -0.061 7.938 310 HH21 ARG 39 1HH2 ARG 39 10.072 2.805 7.085 311 HH22 ARG 39 2HH2 ARG 39 10.139 1.084 7.345 312 H ILE 40 H ILE 40 1.019 4.163 5.387 313 HA ILE 40 HA ILE 40 1.670 1.802 4.094 314 HB ILE 40 HB ILE 40 -0.720 3.616 3.783 315 HG12 ILE 40 2HG1 ILE 40 -0.321 0.953 5.168 316 HG13 ILE 40 1HG1 ILE 40 -0.428 2.525 5.960 317 HG21 ILE 40 1HG2 ILE 40 -0.347 0.869 2.601 318 HG22 ILE 40 2HG2 ILE 40 -0.504 2.382 1.707 319 HG23 ILE 40 3HG2 ILE 40 -1.865 1.767 2.648 320 HD11 ILE 40 1HD1 ILE 40 -2.617 1.165 4.398 321 HD12 ILE 40 2HD1 ILE 40 -2.730 2.753 5.155 322 HD13 ILE 40 3HD1 ILE 40 -2.519 1.316 6.153 323 H MET 41 H MET 41 1.396 5.064 2.730 324 HA MET 41 HA MET 41 1.499 4.283 0.020 325 HB2 MET 41 2HB MET 41 2.284 6.892 1.324 326 HB3 MET 41 1HB MET 41 2.142 6.655 -0.410 327 HG2 MET 41 2HG MET 41 -0.180 6.056 1.364 328 HG3 MET 41 1HG MET 41 0.198 7.721 0.937 329 HE1 MET 41 1HE MET 41 -0.846 4.209 -0.293 330 HE2 MET 41 2HE MET 41 0.494 4.419 -1.421 331 HE3 MET 41 3HE MET 41 -1.164 4.439 -2.012 332 H GLU 42 H GLU 42 4.039 5.495 2.182 333 HA GLU 42 HA GLU 42 6.154 5.364 0.356 334 HB2 GLU 42 2HB GLU 42 6.088 6.459 2.663 335 HB3 GLU 42 1HB GLU 42 6.400 4.864 3.320 336 HG2 GLU 42 2HG GLU 42 8.454 4.796 1.874 337 HG3 GLU 42 1HG GLU 42 8.178 6.507 1.549 338 H VAL 43 H VAL 43 5.046 3.018 2.758 339 HA VAL 43 HA VAL 43 6.940 1.024 2.219 340 HB VAL 43 HB VAL 43 4.104 0.740 3.232 341 HG11 VAL 43 1HG1 VAL 43 6.364 -1.264 3.257 342 HG12 VAL 43 2HG1 VAL 43 4.867 -1.389 2.331 343 HG13 VAL 43 3HG1 VAL 43 4.824 -1.454 4.093 344 HG21 VAL 43 1HG2 VAL 43 6.744 0.831 4.691 345 HG22 VAL 43 2HG2 VAL 43 5.169 0.557 5.434 346 HG23 VAL 43 3HG2 VAL 43 5.525 2.105 4.670 347 H ALA 44 H ALA 44 3.625 1.415 0.964 348 HA ALA 44 HA ALA 44 3.534 -0.871 -0.611 349 HB1 ALA 44 1HB ALA 44 1.582 0.508 -0.090 350 HB2 ALA 44 2HB ALA 44 1.725 0.196 -1.820 351 HB3 ALA 44 3HB ALA 44 2.192 1.766 -1.166 352 H GLU 45 H GLU 45 4.615 2.406 -1.528 353 HA GLU 45 HA GLU 45 5.039 1.812 -4.246 354 HB2 GLU 45 2HB GLU 45 4.964 4.114 -3.337 355 HB3 GLU 45 1HB GLU 45 6.517 3.837 -2.557 356 HG2 GLU 45 2HG GLU 45 7.550 3.485 -4.747 357 HG3 GLU 45 1HG GLU 45 5.995 3.777 -5.522 358 H LYS 46 H LYS 46 7.417 1.969 -1.582 359 HA LYS 46 HA LYS 46 9.579 1.079 -3.139 360 HB2 LYS 46 2HB LYS 46 9.079 1.256 -0.201 361 HB3 LYS 46 1HB LYS 46 10.519 0.435 -0.794 362 HG2 LYS 46 2HG LYS 46 11.127 2.471 -2.046 363 HG3 LYS 46 1HG LYS 46 9.724 3.283 -1.354 364 HD2 LYS 46 2HD LYS 46 11.857 2.033 0.353 365 HD3 LYS 46 1HD LYS 46 11.966 3.690 -0.241 366 HE2 LYS 46 2HE LYS 46 9.814 4.193 0.838 367 HE3 LYS 46 1HE LYS 46 9.761 2.548 1.470 368 HZ1 LYS 46 1HZ LYS 46 10.599 4.301 3.036 369 HZ2 LYS 46 2HZ LYS 46 11.982 4.422 2.053 370 HZ3 LYS 46 3HZ LYS 46 11.620 2.958 2.832 371 H THR 47 H THR 47 7.228 -0.711 -1.195 372 HA THR 47 HA THR 47 8.441 -3.229 -1.307 373 HB THR 47 HB THR 47 5.481 -2.592 -1.295 374 HG1 THR 47 1HG THR 47 6.433 -1.717 0.520 375 HG21 THR 47 1HG2 THR 47 5.201 -4.818 -0.326 376 HG22 THR 47 2HG2 THR 47 6.930 -5.117 -0.491 377 HG23 THR 47 3HG2 THR 47 5.929 -4.919 -1.929 378 H TYR 48 H TYR 48 6.120 -1.703 -3.547 379 HA TYR 48 HA TYR 48 6.106 -3.948 -5.305 380 HD1 TYR 48 1HD TYR 48 4.167 -4.498 -6.905 381 HD2 TYR 48 2HD TYR 48 5.299 -0.544 -8.001 382 HE1 TYR 48 1HE TYR 48 3.746 -5.036 -9.263 383 HE2 TYR 48 2HE TYR 48 4.872 -1.075 -10.365 384 HH TYR 48 HH TYR 48 3.200 -3.857 -11.343 385 HB2 TYR 48 2HB TYR 48 4.186 -2.469 -5.252 386 HB3 TYR 48 1HB TYR 48 5.184 -1.102 -5.743 387 H GLU 49 H GLU 49 7.686 -0.764 -5.381 388 HA GLU 49 HA GLU 49 8.744 -0.996 -7.962 389 HB2 GLU 49 2HB GLU 49 9.459 0.701 -5.594 390 HB3 GLU 49 1HB GLU 49 10.338 0.812 -7.107 391 HG2 GLU 49 2HG GLU 49 7.395 1.297 -6.721 392 HG3 GLU 49 1HG GLU 49 8.634 2.527 -6.970 393 H ALA 50 H ALA 50 10.117 -1.882 -4.809 394 HA ALA 50 HA ALA 50 12.724 -2.407 -5.774 395 HB1 ALA 50 1HB ALA 50 13.077 -3.614 -3.693 396 HB2 ALA 50 2HB ALA 50 11.342 -3.615 -3.382 397 HB3 ALA 50 3HB ALA 50 12.234 -2.094 -3.393 398 H TYR 51 H TYR 51 9.959 -4.560 -5.177 399 HA TYR 51 HA TYR 51 11.266 -6.914 -6.027 400 HD1 TYR 51 2HD TYR 51 10.413 -8.445 -3.897 401 HD2 TYR 51 1HD TYR 51 7.919 -8.718 -7.332 402 HE1 TYR 51 2HE TYR 51 10.442 -10.894 -3.711 403 HE2 TYR 51 1HE TYR 51 7.942 -11.174 -7.157 404 HH TYR 51 HH TYR 51 9.097 -12.812 -4.394 405 HB2 TYR 51 2HB TYR 51 8.990 -6.507 -4.726 406 HB3 TYR 51 1HB TYR 51 8.308 -6.615 -6.346 407 H ARG 52 H ARG 52 9.520 -4.399 -7.696 408 HA ARG 52 HA ARG 52 9.354 -5.697 -10.219 409 HE ARG 52 HE ARG 52 8.659 -1.344 -13.534 410 HB2 ARG 52 2HB ARG 52 7.885 -3.850 -9.739 411 HB3 ARG 52 1HB ARG 52 9.248 -2.781 -9.436 412 HG2 ARG 52 2HG ARG 52 9.866 -2.793 -11.735 413 HG3 ARG 52 1HG ARG 52 8.695 -4.059 -12.097 414 HD2 ARG 52 2HD ARG 52 6.871 -2.534 -11.503 415 HD3 ARG 52 1HD ARG 52 8.049 -1.269 -11.153 416 HH11 ARG 52 1HH1 ARG 52 5.552 -2.660 -12.554 417 HH12 ARG 52 2HH1 ARG 52 4.846 -2.495 -14.133 418 HH21 ARG 52 1HH2 ARG 52 7.744 -1.105 -15.583 419 HH22 ARG 52 2HH2 ARG 52 6.105 -1.624 -15.875 420 H GLN 53 H GLN 53 11.624 -3.343 -8.824 421 HA GLN 53 HA GLN 53 13.282 -3.130 -11.081 422 HB2 GLN 53 2HB GLN 53 13.342 -1.557 -9.145 423 HB3 GLN 53 1HB GLN 53 14.137 -2.809 -8.199 424 HG2 GLN 53 2HG GLN 53 16.032 -2.801 -9.685 425 HG3 GLN 53 1HG GLN 53 15.228 -1.658 -10.757 426 HE21 GLN 53 1HE2 GLN 53 16.861 -0.160 -10.593 427 HE22 GLN 53 2HE2 GLN 53 17.130 0.773 -9.161 428 H LEU 54 H LEU 54 13.203 -5.466 -8.451 429 HA LEU 54 HA LEU 54 15.534 -6.882 -8.935 430 HG LEU 54 HG LEU 54 15.651 -8.437 -7.054 431 HB2 LEU 54 2HB LEU 54 12.889 -7.501 -7.833 432 HB3 LEU 54 1HB LEU 54 13.696 -8.887 -8.533 433 HD11 LEU 54 1HD1 LEU 54 15.298 -6.064 -6.683 434 HD12 LEU 54 2HD1 LEU 54 15.350 -6.936 -5.151 435 HD13 LEU 54 3HD1 LEU 54 13.803 -6.408 -5.815 436 HD21 LEU 54 1HD2 LEU 54 12.998 -8.845 -5.676 437 HD22 LEU 54 2HD2 LEU 54 14.576 -9.255 -5.005 438 HD23 LEU 54 3HD2 LEU 54 13.983 -10.096 -6.437 439 H ASP 55 H ASP 55 12.417 -7.128 -10.598 440 HA ASP 55 HA ASP 55 13.294 -9.186 -12.388 441 HB2 ASP 55 2HB ASP 55 10.942 -8.993 -11.773 442 HB3 ASP 55 1HB ASP 55 10.864 -7.384 -12.483 443 H GLU 56 H GLU 56 13.024 -5.681 -12.530 444 HA GLU 56 HA GLU 56 13.683 -5.344 -15.257 445 HB2 GLU 56 2HB GLU 56 14.255 -3.548 -12.888 446 HB3 GLU 56 1HB GLU 56 14.395 -3.064 -14.571 447 HG2 GLU 56 2HG GLU 56 11.824 -4.078 -13.408 448 HG3 GLU 56 1HG GLU 56 12.292 -2.381 -13.332 449 H PHE 57 H PHE 57 15.683 -5.567 -12.348 450 HA PHE 57 HA PHE 57 18.200 -5.321 -13.532 451 HD1 PHE 57 2HD PHE 57 20.267 -4.820 -11.586 452 HD2 PHE 57 1HD PHE 57 18.816 -8.803 -11.181 453 HE1 PHE 57 2HE PHE 57 22.566 -5.618 -11.238 454 HE2 PHE 57 1HE PHE 57 21.114 -9.605 -10.835 455 HZ PHE 57 HZ PHE 57 22.991 -8.012 -10.864 456 HB2 PHE 57 2HB PHE 57 17.889 -5.319 -11.113 457 HB3 PHE 57 1HB PHE 57 17.314 -6.980 -11.155 458 H ARG 58 H ARG 58 16.166 -8.180 -12.999 459 HA ARG 58 HA ARG 58 17.920 -10.053 -14.120 460 HE ARG 58 HE ARG 58 14.864 -13.257 -13.500 461 HB2 ARG 58 2HB ARG 58 14.913 -10.073 -13.842 462 HB3 ARG 58 1HB ARG 58 15.861 -11.453 -14.353 463 HG2 ARG 58 2HG ARG 58 17.088 -11.356 -12.202 464 HG3 ARG 58 1HG ARG 58 16.001 -10.063 -11.695 465 HD2 ARG 58 2HD ARG 58 15.251 -12.178 -10.788 466 HD3 ARG 58 1HD ARG 58 14.089 -11.587 -11.978 467 HH11 ARG 58 1HH1 ARG 58 16.149 -13.558 -10.256 468 HH12 ARG 58 2HH1 ARG 58 16.588 -15.228 -10.440 469 HH21 ARG 58 1HH2 ARG 58 15.436 -15.441 -13.758 470 HH22 ARG 58 2HH2 ARG 58 16.182 -16.300 -12.444 471 H LYS 59 H LYS 59 15.464 -7.969 -15.528 472 HA LYS 59 HA LYS 59 15.374 -9.008 -18.119 473 HB2 LYS 59 2HB LYS 59 14.840 -6.356 -16.907 474 HB3 LYS 59 1HB LYS 59 14.972 -6.462 -18.664 475 HG2 LYS 59 2HG LYS 59 13.233 -8.063 -18.778 476 HG3 LYS 59 1HG LYS 59 13.203 -8.237 -17.022 477 HD2 LYS 59 2HD LYS 59 12.363 -6.019 -16.762 478 HD3 LYS 59 1HD LYS 59 12.566 -5.691 -18.487 479 HE2 LYS 59 2HE LYS 59 10.246 -6.256 -17.734 480 HE3 LYS 59 1HE LYS 59 10.858 -7.203 -19.076 481 HZ1 LYS 59 1HZ LYS 59 9.755 -8.627 -17.507 482 HZ2 LYS 59 2HZ LYS 59 10.697 -8.046 -16.227 483 HZ3 LYS 59 3HZ LYS 59 11.413 -8.956 -17.468 484 H SER 60 H SER 60 17.489 -6.547 -16.705 485 HA SER 60 HA SER 60 18.988 -6.084 -19.066 486 HG SER 60 HG SER 60 17.825 -4.570 -17.454 487 HB2 SER 60 2HB SER 60 19.832 -5.637 -16.194 488 HB3 SER 60 1HB SER 60 20.540 -4.880 -17.622 489 H THR 61 H THR 61 19.834 -7.852 -16.115 490 HA THR 61 HA THR 61 22.345 -8.704 -16.961 491 HB THR 61 HB THR 61 20.515 -9.947 -14.907 492 HG1 THR 61 1HG THR 61 22.181 -7.708 -14.980 493 HG21 THR 61 1HG2 THR 61 23.498 -10.239 -15.307 494 HG22 THR 61 2HG2 THR 61 22.288 -11.502 -15.535 495 HG23 THR 61 3HG2 THR 61 22.589 -10.849 -13.924 496 H ALA 62 H ALA 62 19.220 -10.435 -17.168 497 HA ALA 62 HA ALA 62 20.328 -12.905 -17.958 498 HB1 ALA 62 1HB ALA 62 18.032 -12.676 -17.122 499 HB2 ALA 62 2HB ALA 62 18.092 -13.519 -18.670 500 HB3 ALA 62 3HB ALA 62 17.584 -11.831 -18.606 501 H SER 63 H SER 63 19.254 -10.113 -19.840 502 HA SER 63 HA SER 63 19.641 -11.443 -22.348 503 HG SER 63 HG SER 63 17.205 -8.914 -21.675 504 HB2 SER 63 2HB SER 63 19.282 -8.501 -21.749 505 HB3 SER 63 1HB SER 63 19.146 -9.261 -23.336 506 H LEU 64 H LEU 64 21.568 -9.418 -20.245 507 HA LEU 64 HA LEU 64 23.684 -8.953 -22.119 508 HG LEU 64 HG LEU 64 25.231 -6.796 -19.555 509 HB2 LEU 64 2HB LEU 64 23.091 -7.664 -19.954 510 HB3 LEU 64 1HB LEU 64 23.951 -8.937 -19.117 511 HD11 LEU 64 1HD1 LEU 64 27.318 -7.944 -20.123 512 HD12 LEU 64 2HD1 LEU 64 26.398 -9.366 -20.614 513 HD13 LEU 64 3HD1 LEU 64 26.380 -8.841 -18.930 514 HD21 LEU 64 1HD2 LEU 64 24.455 -6.394 -21.824 515 HD22 LEU 64 2HD2 LEU 64 25.249 -7.872 -22.369 516 HD23 LEU 64 3HD2 LEU 64 26.214 -6.523 -21.772 517 H GLU 65 H GLU 65 22.857 -11.393 -19.784 518 HA GLU 65 HA GLU 65 25.295 -12.876 -19.923 519 HB2 GLU 65 2HB GLU 65 23.533 -12.908 -18.081 520 HB3 GLU 65 1HB GLU 65 22.574 -13.919 -19.147 521 HG2 GLU 65 2HG GLU 65 24.305 -15.614 -19.141 522 HG3 GLU 65 1HG GLU 65 25.328 -14.589 -18.133 523 H HIS 66 H HIS 66 22.811 -12.356 -21.999 524 HA HIS 66 HA HIS 66 22.322 -13.058 -24.094 525 HD1 HIS 66 1HD HIS 66 24.921 -16.357 -25.936 526 HD2 HIS 66 2HD HIS 66 22.694 -12.897 -26.552 527 HE1 HIS 66 1HE HIS 66 24.276 -16.386 -28.368 528 HE2 HIS 66 2HE HIS 66 23.111 -14.183 -28.754 529 HB2 HIS 66 2HB HIS 66 24.832 -13.404 -24.240 530 HB3 HIS 66 1HB HIS 66 24.542 -15.087 -23.825 531 H HIS 67 H HIS 67 21.150 -14.148 -21.702 532 HA HIS 67 HA HIS 67 19.482 -15.582 -21.175 533 HD1 HIS 67 1HD HIS 67 17.971 -18.558 -24.255 534 HD2 HIS 67 2HD HIS 67 17.014 -15.888 -21.219 535 HE1 HIS 67 1HE HIS 67 15.756 -19.330 -23.348 536 HE2 HIS 67 2HE HIS 67 15.080 -17.540 -21.707 537 HB2 HIS 67 2HB HIS 67 18.984 -15.386 -23.687 538 HB3 HIS 67 1HB HIS 67 19.790 -16.941 -23.849 539 H HIS 68 H HIS 68 19.714 -17.142 -19.763 540 HA HIS 68 HA HIS 68 22.217 -18.261 -19.302 541 HD1 HIS 68 1HD HIS 68 22.605 -17.721 -16.524 542 HD2 HIS 68 2HD HIS 68 20.942 -21.521 -16.869 543 HE1 HIS 68 1HE HIS 68 23.828 -19.156 -14.853 544 HE2 HIS 68 2HE HIS 68 22.638 -21.374 -14.919 545 HB2 HIS 68 2HB HIS 68 20.222 -17.859 -17.708 546 HB3 HIS 68 1HB HIS 68 19.700 -19.469 -18.193 547 H HIS 69 H HIS 69 19.272 -20.123 -20.167 548 HA HIS 69 HA HIS 69 20.786 -21.914 -21.832 549 HD1 HIS 69 1HD HIS 69 18.625 -25.063 -19.718 550 HD2 HIS 69 2HD HIS 69 22.335 -24.655 -21.564 551 HE1 HIS 69 1HE HIS 69 19.134 -27.309 -20.732 552 HE2 HIS 69 2HE HIS 69 21.376 -27.050 -21.843 553 HB2 HIS 69 2HB HIS 69 21.434 -22.717 -19.593 554 HB3 HIS 69 1HB HIS 69 19.740 -22.893 -19.160 555 H HIS 70 H HIS 70 19.477 -23.043 -23.198 556 HA HIS 70 HA HIS 70 16.627 -23.258 -22.518 557 HD1 HIS 70 1HD HIS 70 19.050 -20.808 -25.404 558 HD2 HIS 70 2HD HIS 70 17.015 -24.091 -26.942 559 HE1 HIS 70 1HE HIS 70 20.143 -21.309 -27.607 560 HE2 HIS 70 2HE HIS 70 18.728 -23.125 -28.627 561 HB2 HIS 70 2HB HIS 70 15.912 -22.689 -24.752 562 HB3 HIS 70 1HB HIS 70 16.892 -21.375 -24.127 563 H HIS 71 H HIS 71 19.315 -24.334 -24.493 564 HA HIS 71 HA HIS 71 18.939 -27.046 -23.926 565 HD1 HIS 71 1HD HIS 71 16.564 -29.138 -25.022 566 HD2 HIS 71 2HD HIS 71 19.847 -28.613 -27.519 567 HE1 HIS 71 1HE HIS 71 17.214 -31.446 -25.783 568 HE2 HIS 71 2HE HIS 71 19.099 -31.087 -27.420 569 HB2 HIS 71 2HB HIS 71 17.015 -26.712 -25.562 570 HB3 HIS 71 1HB HIS 71 18.224 -26.359 -26.793 571 HA MET 1 HA MET 1 -29.004 20.175 -1.525 572 H1 MET 1 1H MET 1 -31.893 20.819 -1.526 573 H2 MET 1 2H MET 1 -31.227 19.294 -1.209 574 H3 MET 1 3H MET 1 -31.049 19.990 -2.741 575 HB2 MET 1 2HB MET 1 -30.448 22.830 -1.707 576 HB3 MET 1 1HB MET 1 -28.705 22.617 -1.606 577 HG2 MET 1 2HG MET 1 -28.739 21.428 -3.746 578 HG3 MET 1 1HG MET 1 -30.480 21.692 -3.853 579 HE1 MET 1 1HE MET 1 -30.680 24.657 -2.603 580 HE2 MET 1 2HE MET 1 -31.586 24.113 -4.013 581 HE3 MET 1 3HE MET 1 -30.666 25.615 -4.084 582 H SER 2 H SER 2 -28.671 19.444 0.464 583 HA SER 2 HA SER 2 -28.973 21.163 2.707 584 HG SER 2 HG SER 2 -31.230 19.243 4.709 585 HB2 SER 2 2HB SER 2 -31.315 20.290 2.476 586 HB3 SER 2 1HB SER 2 -30.686 18.660 2.706 587 H GLU 3 H GLU 3 -28.026 20.229 4.619 588 HA GLU 3 HA GLU 3 -26.556 17.750 4.223 589 HB2 GLU 3 2HB GLU 3 -24.470 18.867 5.088 590 HB3 GLU 3 1HB GLU 3 -24.957 19.348 3.470 591 HG2 GLU 3 2HG GLU 3 -26.088 21.338 4.576 592 HG3 GLU 3 1HG GLU 3 -25.181 20.900 6.023 593 H GLY 4 H GLY 4 -26.481 16.536 6.002 594 HA2 GLY 4 2HA GLY 4 -26.862 17.709 8.633 595 HA3 GLY 4 1HA GLY 4 -28.205 16.734 8.046 596 H ALA 5 H ALA 5 -26.740 16.151 10.351 597 HA ALA 5 HA ALA 5 -24.583 14.411 10.010 598 HB1 ALA 5 1HB ALA 5 -26.611 14.402 12.238 599 HB2 ALA 5 2HB ALA 5 -25.184 15.436 12.149 600 HB3 ALA 5 3HB ALA 5 -24.999 13.687 12.285 601 H GLU 6 H GLU 6 -27.947 13.860 9.495 602 HA GLU 6 HA GLU 6 -28.038 11.049 9.779 603 HB2 GLU 6 2HB GLU 6 -29.613 12.750 7.831 604 HB3 GLU 6 1HB GLU 6 -30.072 11.176 8.465 605 HG2 GLU 6 2HG GLU 6 -30.552 12.039 10.573 606 HG3 GLU 6 1HG GLU 6 -29.673 13.533 10.267 607 H GLU 7 H GLU 7 -27.711 13.056 6.896 608 HA GLU 7 HA GLU 7 -27.122 10.907 5.128 609 HB2 GLU 7 2HB GLU 7 -28.043 13.268 4.635 610 HB3 GLU 7 1HB GLU 7 -26.373 13.794 4.703 611 HG2 GLU 7 2HG GLU 7 -27.125 11.547 2.899 612 HG3 GLU 7 1HG GLU 7 -27.501 13.203 2.431 613 H LEU 8 H LEU 8 -25.227 13.108 7.066 614 HA LEU 8 HA LEU 8 -22.693 12.436 6.062 615 HG LEU 8 HG LEU 8 -23.973 15.096 7.000 616 HB2 LEU 8 2HB LEU 8 -23.596 13.444 8.753 617 HB3 LEU 8 1HB LEU 8 -21.925 13.299 8.283 618 HD11 LEU 8 1HD1 LEU 8 -23.245 15.880 9.181 619 HD12 LEU 8 2HD1 LEU 8 -22.609 16.909 7.899 620 HD13 LEU 8 3HD1 LEU 8 -21.557 15.732 8.686 621 HD21 LEU 8 1HD2 LEU 8 -21.045 14.745 6.360 622 HD22 LEU 8 2HD2 LEU 8 -22.106 15.981 5.684 623 HD23 LEU 8 3HD2 LEU 8 -22.402 14.278 5.336 624 H LYS 9 H LYS 9 -24.690 11.084 8.641 625 HA LYS 9 HA LYS 9 -22.774 9.214 9.562 626 HB2 LYS 9 2HB LYS 9 -25.402 10.027 10.248 627 HB3 LYS 9 1HB LYS 9 -25.453 8.288 10.025 628 HG2 LYS 9 2HG LYS 9 -23.548 9.769 11.831 629 HG3 LYS 9 1HG LYS 9 -25.003 8.914 12.347 630 HD2 LYS 9 2HD LYS 9 -24.086 6.810 11.612 631 HD3 LYS 9 1HD LYS 9 -22.679 7.623 10.923 632 HE2 LYS 9 2HE LYS 9 -22.235 6.554 13.120 633 HE3 LYS 9 1HE LYS 9 -21.923 8.290 13.103 634 HZ1 LYS 9 1HZ LYS 9 -23.933 8.705 14.258 635 HZ2 LYS 9 2HZ LYS 9 -23.155 7.447 15.091 636 HZ3 LYS 9 3HZ LYS 9 -24.466 7.107 14.072 637 H ALA 10 H ALA 10 -25.308 9.073 7.111 638 HA ALA 10 HA ALA 10 -25.057 6.320 6.516 639 HB1 ALA 10 1HB ALA 10 -26.946 7.689 5.755 640 HB2 ALA 10 2HB ALA 10 -26.153 6.872 4.408 641 HB3 ALA 10 3HB ALA 10 -25.863 8.589 4.690 642 H LYS 11 H LYS 11 -23.514 9.219 5.203 643 HA LYS 11 HA LYS 11 -21.802 7.966 3.365 644 HB2 LYS 11 2HB LYS 11 -22.193 10.407 3.486 645 HB3 LYS 11 1HB LYS 11 -21.299 10.466 4.994 646 HG2 LYS 11 2HG LYS 11 -19.887 11.226 3.223 647 HG3 LYS 11 1HG LYS 11 -19.291 9.667 3.793 648 HD2 LYS 11 2HD LYS 11 -20.382 8.558 1.906 649 HD3 LYS 11 1HD LYS 11 -20.991 10.114 1.338 650 HE2 LYS 11 2HE LYS 11 -18.695 10.905 1.046 651 HE3 LYS 11 1HE LYS 11 -18.085 9.356 1.624 652 HZ1 LYS 11 1HZ LYS 11 -19.177 8.284 -0.266 653 HZ2 LYS 11 2HZ LYS 11 -18.039 9.436 -0.768 654 HZ3 LYS 11 3HZ LYS 11 -19.693 9.798 -0.835 655 H LEU 12 H LEU 12 -21.249 8.893 6.738 656 HA LEU 12 HA LEU 12 -18.637 7.951 7.002 657 HG LEU 12 HG LEU 12 -19.029 6.726 9.945 658 HB2 LEU 12 2HB LEU 12 -19.664 9.385 8.660 659 HB3 LEU 12 1HB LEU 12 -20.839 8.146 9.055 660 HD11 LEU 12 1HD1 LEU 12 -16.802 7.647 10.282 661 HD12 LEU 12 2HD1 LEU 12 -17.266 9.115 9.421 662 HD13 LEU 12 3HD1 LEU 12 -17.197 7.574 8.566 663 HD21 LEU 12 1HD2 LEU 12 -19.147 9.503 11.110 664 HD22 LEU 12 2HD2 LEU 12 -18.571 8.063 11.948 665 HD23 LEU 12 3HD2 LEU 12 -20.259 8.177 11.453 666 H LYS 13 H LYS 13 -21.719 6.258 7.480 667 HA LYS 13 HA LYS 13 -20.626 3.858 8.484 668 HB2 LYS 13 2HB LYS 13 -23.068 4.565 8.503 669 HB3 LYS 13 1HB LYS 13 -23.138 4.052 6.826 670 HG2 LYS 13 2HG LYS 13 -22.487 1.786 7.494 671 HG3 LYS 13 1HG LYS 13 -22.451 2.305 9.181 672 HD2 LYS 13 2HD LYS 13 -24.851 2.948 8.956 673 HD3 LYS 13 1HD LYS 13 -24.841 2.227 7.347 674 HE2 LYS 13 2HE LYS 13 -24.246 0.794 9.933 675 HE3 LYS 13 1HE LYS 13 -25.749 0.692 9.020 676 HZ1 LYS 13 1HZ LYS 13 -23.069 -0.252 8.155 677 HZ2 LYS 13 2HZ LYS 13 -24.430 -0.218 7.147 678 HZ3 LYS 13 3HZ LYS 13 -24.420 -1.205 8.527 679 H LYS 14 H LYS 14 -21.469 4.885 5.209 680 HA LYS 14 HA LYS 14 -20.770 2.564 3.830 681 HB2 LYS 14 2HB LYS 14 -21.936 4.710 3.003 682 HB3 LYS 14 1HB LYS 14 -20.313 5.343 2.756 683 HG2 LYS 14 2HG LYS 14 -20.364 4.417 0.746 684 HG3 LYS 14 1HG LYS 14 -20.281 2.845 1.546 685 HD2 LYS 14 2HD LYS 14 -22.817 4.336 0.879 686 HD3 LYS 14 1HD LYS 14 -22.154 2.990 -0.037 687 HE2 LYS 14 2HE LYS 14 -22.391 1.544 1.936 688 HE3 LYS 14 1HE LYS 14 -23.087 2.898 2.828 689 HZ1 LYS 14 1HZ LYS 14 -24.898 2.971 1.215 690 HZ2 LYS 14 2HZ LYS 14 -24.816 1.457 1.968 691 HZ3 LYS 14 3HZ LYS 14 -24.235 1.650 0.386 692 H LEU 15 H LEU 15 -18.821 5.358 4.792 693 HA LEU 15 HA LEU 15 -16.401 4.520 3.586 694 HG LEU 15 HG LEU 15 -17.821 7.233 3.861 695 HB2 LEU 15 2HB LEU 15 -16.872 6.323 5.964 696 HB3 LEU 15 1HB LEU 15 -15.329 6.126 5.157 697 HD11 LEU 15 1HD1 LEU 15 -16.991 8.750 5.555 698 HD12 LEU 15 2HD1 LEU 15 -16.627 9.380 3.947 699 HD13 LEU 15 3HD1 LEU 15 -15.357 8.619 4.906 700 HD21 LEU 15 1HD2 LEU 15 -16.320 7.854 2.045 701 HD22 LEU 15 2HD2 LEU 15 -16.307 6.109 2.297 702 HD23 LEU 15 3HD2 LEU 15 -14.969 7.094 2.887 703 H ASN 16 H ASN 16 -17.751 4.086 6.823 704 HA ASN 16 HA ASN 16 -15.554 2.809 8.012 705 HB2 ASN 16 2HB ASN 16 -17.677 3.702 9.126 706 HB3 ASN 16 1HB ASN 16 -18.444 2.196 8.644 707 HD21 ASN 16 1HD2 ASN 16 -17.991 3.264 11.290 708 HD22 ASN 16 2HD2 ASN 16 -17.040 2.092 12.142 709 H ALA 17 H ALA 17 -18.371 1.468 6.315 710 HA ALA 17 HA ALA 17 -17.668 -1.245 6.528 711 HB1 ALA 17 1HB ALA 17 -19.227 0.119 4.331 712 HB2 ALA 17 2HB ALA 17 -19.896 -0.478 5.849 713 HB3 ALA 17 3HB ALA 17 -19.218 -1.611 4.680 714 H GLN 18 H GLN 18 -16.954 1.165 4.037 715 HA GLN 18 HA GLN 18 -15.546 -0.499 2.276 716 HB2 GLN 18 2HB GLN 18 -16.318 1.668 1.574 717 HB3 GLN 18 1HB GLN 18 -15.355 2.468 2.805 718 HG2 GLN 18 2HG GLN 18 -13.319 1.853 1.673 719 HG3 GLN 18 1HG GLN 18 -14.225 0.906 0.494 720 HE21 GLN 18 1HE2 GLN 18 -13.461 4.121 1.605 721 HE22 GLN 18 2HE2 GLN 18 -13.988 4.956 0.180 722 H ALA 19 H ALA 19 -14.390 1.523 4.962 723 HA ALA 19 HA ALA 19 -11.650 0.993 4.683 724 HB1 ALA 19 1HB ALA 19 -12.545 2.781 6.099 725 HB2 ALA 19 2HB ALA 19 -11.443 1.732 6.994 726 HB3 ALA 19 3HB ALA 19 -13.186 1.572 7.212 727 H THR 20 H THR 20 -14.163 -0.674 6.531 728 HA THR 20 HA THR 20 -12.533 -2.604 7.754 729 HB THR 20 HB THR 20 -15.410 -2.996 6.889 730 HG1 THR 20 1HG THR 20 -15.286 -1.094 8.116 731 HG21 THR 20 1HG2 THR 20 -14.330 -5.037 7.677 732 HG22 THR 20 2HG2 THR 20 -15.509 -4.471 8.862 733 HG23 THR 20 3HG2 THR 20 -13.787 -4.205 9.135 734 H ALA 21 H ALA 21 -14.197 -2.574 4.639 735 HA ALA 21 HA ALA 21 -13.579 -5.206 3.855 736 HB1 ALA 21 1HB ALA 21 -14.048 -2.786 2.117 737 HB2 ALA 21 2HB ALA 21 -15.302 -3.843 2.765 738 HB3 ALA 21 3HB ALA 21 -14.133 -4.468 1.600 739 H LEU 22 H LEU 22 -11.960 -2.109 3.152 740 HA LEU 22 HA LEU 22 -9.862 -3.240 1.643 741 HG LEU 22 HG LEU 22 -9.733 0.307 0.746 742 HB2 LEU 22 2HB LEU 22 -10.342 -0.611 2.941 743 HB3 LEU 22 1HB LEU 22 -8.689 -1.006 2.510 744 HD11 LEU 22 1HD1 LEU 22 -9.324 -2.564 -0.061 745 HD12 LEU 22 2HD1 LEU 22 -8.070 -1.334 0.101 746 HD13 LEU 22 3HD1 LEU 22 -9.306 -1.172 -1.146 747 HD21 LEU 22 1HD2 LEU 22 -12.063 -0.327 1.142 748 HD22 LEU 22 2HD2 LEU 22 -11.729 -1.943 0.522 749 HD23 LEU 22 3HD2 LEU 22 -11.610 -0.546 -0.548 750 H LYS 23 H LYS 23 -10.297 -2.813 5.096 751 HA LYS 23 HA LYS 23 -7.636 -3.204 5.894 752 HB2 LYS 23 2HB LYS 23 -9.299 -2.459 7.497 753 HB3 LYS 23 1HB LYS 23 -10.196 -3.963 7.318 754 HG2 LYS 23 2HG LYS 23 -8.348 -5.207 8.291 755 HG3 LYS 23 1HG LYS 23 -7.400 -3.727 8.419 756 HD2 LYS 23 2HD LYS 23 -8.971 -2.808 10.008 757 HD3 LYS 23 1HD LYS 23 -10.034 -4.205 9.812 758 HE2 LYS 23 2HE LYS 23 -8.341 -5.664 10.741 759 HE3 LYS 23 1HE LYS 23 -7.202 -4.325 10.845 760 HZ1 LYS 23 1HZ LYS 23 -9.793 -4.323 12.282 761 HZ2 LYS 23 2HZ LYS 23 -8.454 -3.318 12.546 762 HZ3 LYS 23 3HZ LYS 23 -8.375 -4.959 12.959 763 H MET 24 H MET 24 -10.271 -5.594 5.530 764 HA MET 24 HA MET 24 -8.508 -7.795 6.021 765 HB2 MET 24 2HB MET 24 -10.387 -9.224 5.381 766 HB3 MET 24 1HB MET 24 -10.901 -7.984 6.513 767 HG2 MET 24 2HG MET 24 -11.880 -6.705 4.704 768 HG3 MET 24 1HG MET 24 -11.301 -7.888 3.534 769 HE1 MET 24 1HE MET 24 -11.789 -10.623 5.041 770 HE2 MET 24 2HE MET 24 -12.218 -10.368 3.350 771 HE3 MET 24 3HE MET 24 -13.399 -11.055 4.465 772 H ASP 25 H ASP 25 -9.550 -6.042 3.201 773 HA ASP 25 HA ASP 25 -8.776 -7.900 1.222 774 HB2 ASP 25 2HB ASP 25 -10.207 -5.868 0.855 775 HB3 ASP 25 1HB ASP 25 -8.756 -4.882 1.000 776 H LEU 26 H LEU 26 -7.064 -5.066 2.547 777 HA LEU 26 HA LEU 26 -4.624 -5.581 1.206 778 HG LEU 26 HG LEU 26 -2.724 -4.457 3.425 779 HB2 LEU 26 2HB LEU 26 -5.225 -3.383 2.116 780 HB3 LEU 26 1HB LEU 26 -5.146 -4.027 3.744 781 HD11 LEU 26 1HD1 LEU 26 -2.671 -4.703 1.017 782 HD12 LEU 26 2HD1 LEU 26 -1.585 -3.406 1.514 783 HD13 LEU 26 3HD1 LEU 26 -3.154 -3.021 0.809 784 HD21 LEU 26 1HD2 LEU 26 -3.502 -2.400 4.496 785 HD22 LEU 26 2HD2 LEU 26 -3.580 -1.607 2.922 786 HD23 LEU 26 3HD2 LEU 26 -2.024 -2.125 3.572 787 H HIS 27 H HIS 27 -5.851 -6.455 4.403 788 HA HIS 27 HA HIS 27 -3.595 -7.592 5.535 789 HD1 HIS 27 1HD HIS 27 -6.497 -10.864 6.171 790 HD2 HIS 27 2HD HIS 27 -3.715 -8.823 8.501 791 HE1 HIS 27 1HE HIS 27 -5.615 -12.550 7.812 792 HE2 HIS 27 2HE HIS 27 -3.760 -11.356 9.026 793 HB2 HIS 27 2HB HIS 27 -5.570 -7.356 6.862 794 HB3 HIS 27 1HB HIS 27 -6.508 -8.362 5.763 795 H ASP 28 H ASP 28 -6.073 -9.216 3.562 796 HA ASP 28 HA ASP 28 -4.638 -11.684 3.574 797 HB2 ASP 28 2HB ASP 28 -7.160 -10.707 2.332 798 HB3 ASP 28 1HB ASP 28 -6.407 -12.147 1.653 799 H LEU 29 H LEU 29 -4.722 -8.918 1.455 800 HA LEU 29 HA LEU 29 -3.486 -10.084 -0.791 801 HG LEU 29 HG LEU 29 -1.559 -7.826 -1.529 802 HB2 LEU 29 2HB LEU 29 -4.487 -7.831 -0.800 803 HB3 LEU 29 1HB LEU 29 -3.214 -7.264 0.264 804 HD11 LEU 29 1HD1 LEU 29 -2.886 -9.463 -2.746 805 HD12 LEU 29 2HD1 LEU 29 -2.400 -8.139 -3.805 806 HD13 LEU 29 3HD1 LEU 29 -4.050 -8.211 -3.186 807 HD21 LEU 29 1HD2 LEU 29 -2.356 -5.547 -1.177 808 HD22 LEU 29 2HD2 LEU 29 -3.717 -5.850 -2.257 809 HD23 LEU 29 3HD2 LEU 29 -2.070 -5.862 -2.888 810 H ALA 30 H ALA 30 -2.112 -8.459 2.056 811 HA ALA 30 HA ALA 30 0.603 -8.963 1.351 812 HB1 ALA 30 1HB ALA 30 -0.029 -7.150 2.863 813 HB2 ALA 30 2HB ALA 30 1.120 -8.245 3.629 814 HB3 ALA 30 3HB ALA 30 -0.591 -8.328 4.049 815 H GLU 31 H GLU 31 -1.862 -10.772 2.958 816 HA GLU 31 HA GLU 31 -0.127 -12.692 4.188 817 HB2 GLU 31 2HB GLU 31 -2.424 -12.159 4.993 818 HB3 GLU 31 1HB GLU 31 -3.074 -12.879 3.528 819 HG2 GLU 31 2HG GLU 31 -3.242 -14.395 5.413 820 HG3 GLU 31 1HG GLU 31 -2.172 -15.042 4.168 821 H ASP 32 H ASP 32 -1.549 -12.248 1.074 822 HA ASP 32 HA ASP 32 -0.971 -15.013 0.282 823 HB2 ASP 32 2HB ASP 32 -3.268 -13.858 -0.102 824 HB3 ASP 32 1HB ASP 32 -2.453 -13.036 -1.430 825 H LEU 33 H LEU 33 1.030 -12.924 0.660 826 HA LEU 33 HA LEU 33 2.062 -11.695 -1.528 827 HG LEU 33 HG LEU 33 2.409 -10.804 1.194 828 HB2 LEU 33 2HB LEU 33 3.339 -13.007 0.823 829 HB3 LEU 33 1HB LEU 33 4.363 -12.395 -0.465 830 HD11 LEU 33 1HD1 LEU 33 4.448 -9.602 1.901 831 HD12 LEU 33 2HD1 LEU 33 5.417 -10.780 1.015 832 HD13 LEU 33 3HD1 LEU 33 4.437 -11.298 2.387 833 HD21 LEU 33 1HD2 LEU 33 3.242 -8.846 -0.055 834 HD22 LEU 33 2HD2 LEU 33 2.367 -9.978 -1.087 835 HD23 LEU 33 3HD2 LEU 33 4.128 -9.927 -1.131 836 HA PRO 34 HA PRO 34 3.780 -12.334 -4.817 837 HB2 PRO 34 2HB PRO 34 4.933 -15.077 -4.421 838 HB3 PRO 34 1HB PRO 34 5.415 -13.821 -5.572 839 HG2 PRO 34 2HG PRO 34 6.538 -14.186 -3.047 840 HG3 PRO 34 1HG PRO 34 6.641 -12.702 -4.008 841 HD2 PRO 34 2HD PRO 34 5.332 -12.991 -1.521 842 HD3 PRO 34 1HD PRO 34 5.163 -11.621 -2.642 843 H THR 35 H THR 35 2.198 -12.426 -5.950 844 HA THR 35 HA THR 35 0.935 -14.272 -7.376 845 HB THR 35 HB THR 35 -0.363 -14.228 -4.642 846 HG1 THR 35 1HG THR 35 1.063 -15.968 -5.271 847 HG21 THR 35 1HG2 THR 35 -2.121 -13.603 -6.216 848 HG22 THR 35 2HG2 THR 35 -2.371 -15.249 -5.633 849 HG23 THR 35 3HG2 THR 35 -1.708 -14.975 -7.244 850 H GLY 36 H GLY 36 -0.045 -11.809 -5.019 851 HA2 GLY 36 2HA GLY 36 -1.170 -10.232 -7.250 852 HA3 GLY 36 1HA GLY 36 -1.920 -10.298 -5.662 853 H TRP 37 H TRP 37 1.538 -10.181 -6.040 854 HA TRP 37 HA TRP 37 1.921 -7.991 -4.334 855 HD1 TRP 37 HD TRP 37 4.550 -6.162 -6.044 856 HE1 TRP 37 1HE TRP 37 6.480 -5.387 -4.526 857 HE3 TRP 37 3HE TRP 37 4.999 -10.314 -3.100 858 HZ2 TRP 37 2HZ TRP 37 7.993 -6.400 -2.376 859 HZ3 TRP 37 3HZ TRP 37 6.718 -10.332 -1.341 860 HH2 TRP 37 HH TRP 37 8.185 -8.415 -0.987 861 HB2 TRP 37 2HB TRP 37 3.595 -9.779 -4.951 862 HB3 TRP 37 1HB TRP 37 3.806 -8.973 -6.491 863 H ASN 38 H ASN 38 1.346 -8.209 -7.752 864 HA ASN 38 HA ASN 38 2.224 -5.659 -8.563 865 HB2 ASN 38 2HB ASN 38 1.702 -7.566 -10.082 866 HB3 ASN 38 1HB ASN 38 -0.009 -7.321 -9.755 867 HD21 ASN 38 1HD2 ASN 38 -0.538 -6.862 -11.858 868 HD22 ASN 38 2HD2 ASN 38 -0.041 -5.404 -12.650 869 H ARG 39 H ARG 39 -0.639 -6.674 -6.870 870 HA ARG 39 HA ARG 39 -2.087 -4.240 -7.616 871 HE ARG 39 HE ARG 39 -6.875 -4.416 -7.201 872 HB2 ARG 39 2HB ARG 39 -3.138 -6.581 -7.596 873 HB3 ARG 39 1HB ARG 39 -3.110 -6.454 -5.843 874 HG2 ARG 39 2HG ARG 39 -4.488 -4.427 -5.979 875 HG3 ARG 39 1HG ARG 39 -4.545 -4.599 -7.734 876 HD2 ARG 39 2HD ARG 39 -5.563 -6.870 -7.373 877 HD3 ARG 39 1HD ARG 39 -5.687 -6.462 -5.661 878 HH11 ARG 39 1HH1 ARG 39 -7.458 -7.706 -6.109 879 HH12 ARG 39 2HH1 ARG 39 -9.177 -7.606 -6.333 880 HH21 ARG 39 1HH2 ARG 39 -9.127 -4.304 -7.537 881 HH22 ARG 39 2HH2 ARG 39 -10.126 -5.677 -7.160 882 H ILE 40 H ILE 40 0.177 -4.953 -5.431 883 HA ILE 40 HA ILE 40 -0.865 -4.277 -2.928 884 HB ILE 40 HB ILE 40 1.919 -4.090 -4.058 885 HG12 ILE 40 2HG1 ILE 40 0.637 -5.873 -1.975 886 HG13 ILE 40 1HG1 ILE 40 0.979 -6.317 -3.642 887 HG21 ILE 40 1HG2 ILE 40 2.771 -3.638 -1.804 888 HG22 ILE 40 2HG2 ILE 40 1.115 -3.459 -1.219 889 HG23 ILE 40 3HG2 ILE 40 1.762 -2.317 -2.398 890 HD11 ILE 40 1HD1 ILE 40 3.368 -6.055 -3.216 891 HD12 ILE 40 2HD1 ILE 40 2.630 -7.247 -2.145 892 HD13 ILE 40 3HD1 ILE 40 3.013 -5.634 -1.541 893 H MET 41 H MET 41 0.643 -2.176 -5.376 894 HA MET 41 HA MET 41 0.597 0.175 -3.834 895 HB2 MET 41 2HB MET 41 1.978 -0.102 -5.849 896 HB3 MET 41 1HB MET 41 0.531 -0.125 -6.846 897 HG2 MET 41 2HG MET 41 0.041 2.162 -6.252 898 HG3 MET 41 1HG MET 41 1.401 2.194 -5.135 899 HE1 MET 41 1HE MET 41 3.601 0.603 -6.768 900 HE2 MET 41 2HE MET 41 3.972 2.115 -5.934 901 HE3 MET 41 3HE MET 41 4.436 1.898 -7.623 902 H GLU 42 H GLU 42 -1.710 -1.128 -6.184 903 HA GLU 42 HA GLU 42 -3.529 0.990 -6.247 904 HB2 GLU 42 2HB GLU 42 -3.599 -0.893 -7.815 905 HB3 GLU 42 1HB GLU 42 -4.036 -1.985 -6.512 906 HG2 GLU 42 2HG GLU 42 -6.040 -0.328 -6.211 907 HG3 GLU 42 1HG GLU 42 -5.685 0.074 -7.888 908 H VAL 43 H VAL 43 -3.765 -2.033 -4.385 909 HA VAL 43 HA VAL 43 -6.041 -1.353 -2.928 910 HB VAL 43 HB VAL 43 -3.775 -3.163 -2.070 911 HG11 VAL 43 1HG1 VAL 43 -5.148 -2.513 -0.167 912 HG12 VAL 43 2HG1 VAL 43 -5.427 -4.203 -0.585 913 HG13 VAL 43 3HG1 VAL 43 -6.606 -2.975 -1.044 914 HG21 VAL 43 1HG2 VAL 43 -6.371 -3.759 -3.486 915 HG22 VAL 43 2HG2 VAL 43 -5.228 -4.967 -2.900 916 HG23 VAL 43 3HG2 VAL 43 -4.752 -3.853 -4.180 917 H ALA 44 H ALA 44 -2.627 -0.790 -2.168 918 HA ALA 44 HA ALA 44 -3.016 0.327 0.389 919 HB1 ALA 44 1HB ALA 44 -0.835 -0.404 -0.431 920 HB2 ALA 44 2HB ALA 44 -0.790 1.271 0.122 921 HB3 ALA 44 3HB ALA 44 -0.837 0.912 -1.604 922 H GLU 45 H GLU 45 -2.804 1.849 -2.819 923 HA GLU 45 HA GLU 45 -3.113 4.505 -2.000 924 HB2 GLU 45 2HB GLU 45 -3.657 3.018 -4.545 925 HB3 GLU 45 1HB GLU 45 -4.069 4.712 -4.410 926 HG2 GLU 45 2HG GLU 45 -1.686 5.140 -3.757 927 HG3 GLU 45 1HG GLU 45 -1.354 3.459 -4.172 928 H LYS 46 H LYS 46 -5.508 2.090 -2.976 929 HA LYS 46 HA LYS 46 -7.792 3.704 -2.707 930 HB2 LYS 46 2HB LYS 46 -7.305 0.754 -2.663 931 HB3 LYS 46 1HB LYS 46 -8.912 1.402 -2.348 932 HG2 LYS 46 2HG LYS 46 -9.195 2.137 -4.477 933 HG3 LYS 46 1HG LYS 46 -7.471 2.397 -4.736 934 HD2 LYS 46 2HD LYS 46 -8.384 0.555 -6.070 935 HD3 LYS 46 1HD LYS 46 -7.108 0.030 -4.978 936 HE2 LYS 46 2HE LYS 46 -8.774 -0.839 -3.430 937 HE3 LYS 46 1HE LYS 46 -10.067 -0.249 -4.473 938 HZ1 LYS 46 1HZ LYS 46 -9.646 -1.849 -6.057 939 HZ2 LYS 46 2HZ LYS 46 -9.365 -2.710 -4.620 940 HZ3 LYS 46 3HZ LYS 46 -8.057 -2.130 -5.535 941 H THR 47 H THR 47 -6.096 1.643 -0.392 942 HA THR 47 HA THR 47 -7.929 1.957 1.733 943 HB THR 47 HB THR 47 -4.959 1.385 1.885 944 HG1 THR 47 1HG THR 47 -5.981 -0.210 0.670 945 HG21 THR 47 1HG2 THR 47 -7.164 0.856 3.888 946 HG22 THR 47 2HG2 THR 47 -5.896 2.072 4.046 947 HG23 THR 47 3HG2 THR 47 -5.478 0.359 4.052 948 H TYR 48 H TYR 48 -4.894 3.671 0.952 949 HA TYR 48 HA TYR 48 -4.927 5.403 3.157 950 HD1 TYR 48 2HD TYR 48 -2.188 6.266 3.717 951 HD2 TYR 48 1HD TYR 48 -3.937 8.333 0.434 952 HE1 TYR 48 2HE TYR 48 -1.315 8.391 4.599 953 HE2 TYR 48 1HE TYR 48 -3.065 10.461 1.299 954 HH TYR 48 HH TYR 48 -0.688 10.687 3.593 955 HB2 TYR 48 2HB TYR 48 -2.951 5.065 1.709 956 HB3 TYR 48 1HB TYR 48 -3.768 5.931 0.412 957 H GLU 49 H GLU 49 -6.214 5.797 -0.123 958 HA GLU 49 HA GLU 49 -7.180 8.400 0.100 959 HB2 GLU 49 2HB GLU 49 -7.539 6.141 -1.679 960 HB3 GLU 49 1HB GLU 49 -9.039 7.036 -1.477 961 HG2 GLU 49 2HG GLU 49 -6.410 8.267 -2.257 962 HG3 GLU 49 1HG GLU 49 -7.679 7.796 -3.390 963 H ALA 50 H ALA 50 -8.766 5.329 0.903 964 HA ALA 50 HA ALA 50 -11.245 6.447 1.667 965 HB1 ALA 50 1HB ALA 50 -10.937 4.070 1.144 966 HB2 ALA 50 2HB ALA 50 -11.683 4.302 2.725 967 HB3 ALA 50 3HB ALA 50 -9.975 3.877 2.610 968 H TYR 51 H TYR 51 -8.308 5.731 3.511 969 HA TYR 51 HA TYR 51 -9.502 6.404 6.012 970 HD1 TYR 51 2HD TYR 51 -8.520 3.777 4.584 971 HD2 TYR 51 1HD TYR 51 -7.128 4.930 8.436 972 HE1 TYR 51 2HE TYR 51 -9.106 1.553 5.450 973 HE2 TYR 51 1HE TYR 51 -7.713 2.709 9.316 974 HH TYR 51 HH TYR 51 -8.597 0.088 7.253 975 HB2 TYR 51 2HB TYR 51 -6.720 5.763 5.115 976 HB3 TYR 51 1HB TYR 51 -6.984 6.452 6.714 977 H ARG 52 H ARG 52 -7.647 8.191 3.623 978 HA ARG 52 HA ARG 52 -7.196 10.528 5.090 979 HE ARG 52 HE ARG 52 -5.122 13.270 2.431 980 HB2 ARG 52 2HB ARG 52 -6.155 10.441 2.986 981 HB3 ARG 52 1HB ARG 52 -7.643 9.995 2.165 982 HG2 ARG 52 2HG ARG 52 -8.515 12.224 2.427 983 HG3 ARG 52 1HG ARG 52 -7.119 12.689 3.401 984 HD2 ARG 52 2HD ARG 52 -6.747 11.648 0.620 985 HD3 ARG 52 1HD ARG 52 -7.200 13.331 0.887 986 HH11 ARG 52 1HH1 ARG 52 -5.448 11.578 -0.622 987 HH12 ARG 52 2HH1 ARG 52 -3.751 11.678 -0.994 988 HH21 ARG 52 1HH2 ARG 52 -2.916 13.431 1.930 989 HH22 ARG 52 2HH2 ARG 52 -2.314 12.751 0.448 990 H GLN 53 H GLN 53 -9.949 9.671 3.014 991 HA GLN 53 HA GLN 53 -11.518 11.926 3.676 992 HB2 GLN 53 2HB GLN 53 -11.933 10.535 1.680 993 HB3 GLN 53 1HB GLN 53 -12.379 9.184 2.710 994 HG2 GLN 53 2HG GLN 53 -14.359 10.222 1.834 995 HG3 GLN 53 1HG GLN 53 -14.274 10.483 3.573 996 HE21 GLN 53 1HE2 GLN 53 -15.608 12.277 3.517 997 HE22 GLN 53 2HE2 GLN 53 -15.109 13.792 2.849 998 H LEU 54 H LEU 54 -11.214 8.702 5.051 999 HA LEU 54 HA LEU 54 -13.418 8.743 6.768 1000 HG LEU 54 HG LEU 54 -13.597 6.180 6.758 1001 HB2 LEU 54 2HB LEU 54 -11.384 6.974 6.186 1002 HB3 LEU 54 1HB LEU 54 -11.064 7.396 7.858 1003 HD11 LEU 54 1HD1 LEU 54 -11.779 4.607 6.965 1004 HD12 LEU 54 2HD1 LEU 54 -12.988 4.305 8.216 1005 HD13 LEU 54 3HD1 LEU 54 -11.482 5.130 8.622 1006 HD21 LEU 54 1HD2 LEU 54 -14.117 7.784 8.532 1007 HD22 LEU 54 2HD2 LEU 54 -12.960 6.980 9.594 1008 HD23 LEU 54 3HD2 LEU 54 -14.402 6.122 9.051 1009 H ASP 55 H ASP 55 -10.026 9.682 7.419 1010 HA ASP 55 HA ASP 55 -10.608 10.351 10.142 1011 HB2 ASP 55 2HB ASP 55 -8.354 9.616 9.330 1012 HB3 ASP 55 1HB ASP 55 -8.183 11.179 8.535 1013 H GLU 56 H GLU 56 -10.309 12.186 7.147 1014 HA GLU 56 HA GLU 56 -10.579 14.770 8.217 1015 HB2 GLU 56 2HB GLU 56 -11.016 13.463 5.604 1016 HB3 GLU 56 1HB GLU 56 -11.906 14.955 5.847 1017 HG2 GLU 56 2HG GLU 56 -8.944 14.728 6.280 1018 HG3 GLU 56 1HG GLU 56 -9.662 15.147 4.725 1019 H PHE 57 H PHE 57 -13.041 12.472 7.122 1020 HA PHE 57 HA PHE 57 -15.265 14.053 7.861 1021 HD1 PHE 57 1HD PHE 57 -17.337 11.248 9.214 1022 HD2 PHE 57 2HD PHE 57 -16.954 13.041 5.378 1023 HE1 PHE 57 1HE PHE 57 -19.782 11.504 9.090 1024 HE2 PHE 57 2HE PHE 57 -19.392 13.309 5.251 1025 HZ PHE 57 HZ PHE 57 -20.808 12.539 7.109 1026 HB2 PHE 57 2HB PHE 57 -15.121 11.934 6.358 1027 HB3 PHE 57 1HB PHE 57 -15.275 11.043 7.869 1028 H ARG 58 H ARG 58 -13.323 11.647 9.496 1029 HA ARG 58 HA ARG 58 -14.762 11.283 11.849 1030 HE ARG 58 HE ARG 58 -11.447 8.866 15.198 1031 HB2 ARG 58 2HB ARG 58 -12.900 9.875 11.194 1032 HB3 ARG 58 1HB ARG 58 -11.788 11.226 11.311 1033 HG2 ARG 58 2HG ARG 58 -12.195 11.300 13.744 1034 HG3 ARG 58 1HG ARG 58 -13.219 9.867 13.583 1035 HD2 ARG 58 2HD ARG 58 -11.359 8.600 12.692 1036 HD3 ARG 58 1HD ARG 58 -10.330 10.030 12.735 1037 HH11 ARG 58 1HH1 ARG 58 -8.742 10.020 13.287 1038 HH12 ARG 58 2HH1 ARG 58 -7.583 9.784 14.564 1039 HH21 ARG 58 1HH2 ARG 58 -9.925 8.531 16.872 1040 HH22 ARG 58 2HH2 ARG 58 -8.261 8.966 16.613 1041 H LYS 59 H LYS 59 -12.230 13.677 11.084 1042 HA LYS 59 HA LYS 59 -12.237 14.975 13.589 1043 HB2 LYS 59 2HB LYS 59 -11.613 16.072 10.836 1044 HB3 LYS 59 1HB LYS 59 -11.268 16.907 12.344 1045 HG2 LYS 59 2HG LYS 59 -10.104 14.263 11.494 1046 HG3 LYS 59 1HG LYS 59 -9.283 15.826 11.441 1047 HD2 LYS 59 2HD LYS 59 -9.558 16.013 13.889 1048 HD3 LYS 59 1HD LYS 59 -10.292 14.408 13.907 1049 HE2 LYS 59 2HE LYS 59 -8.233 13.446 13.022 1050 HE3 LYS 59 1HE LYS 59 -7.498 15.048 12.968 1051 HZ1 LYS 59 1HZ LYS 59 -7.854 15.164 15.409 1052 HZ2 LYS 59 2HZ LYS 59 -6.758 13.963 14.933 1053 HZ3 LYS 59 3HZ LYS 59 -8.337 13.539 15.382 1054 H SER 60 H SER 60 -13.981 15.634 10.595 1055 HA SER 60 HA SER 60 -15.347 17.917 11.453 1056 HG SER 60 HG SER 60 -16.859 18.560 9.164 1057 HB2 SER 60 2HB SER 60 -15.160 17.275 9.094 1058 HB3 SER 60 1HB SER 60 -16.181 15.868 9.392 1059 H THR 61 H THR 61 -16.521 14.557 11.327 1060 HA THR 61 HA THR 61 -19.115 15.188 12.199 1061 HB THR 61 HB THR 61 -18.583 13.107 10.961 1062 HG1 THR 61 1HG THR 61 -20.082 13.194 13.303 1063 HG21 THR 61 1HG2 THR 61 -17.682 11.168 12.140 1064 HG22 THR 61 2HG2 THR 61 -17.436 12.148 13.586 1065 HG23 THR 61 3HG2 THR 61 -16.512 12.490 12.124 1066 H ALA 62 H ALA 62 -16.241 14.264 14.028 1067 HA ALA 62 HA ALA 62 -17.676 13.707 16.420 1068 HB1 ALA 62 1HB ALA 62 -14.758 14.426 16.112 1069 HB2 ALA 62 2HB ALA 62 -15.425 12.796 15.993 1070 HB3 ALA 62 3HB ALA 62 -15.507 13.676 17.520 1071 H SER 63 H SER 63 -16.018 16.570 15.183 1072 HA SER 63 HA SER 63 -16.461 18.061 17.590 1073 HG SER 63 HG SER 63 -14.749 20.750 16.209 1074 HB2 SER 63 2HB SER 63 -14.599 18.551 16.008 1075 HB3 SER 63 1HB SER 63 -15.787 19.097 14.825 1076 H LEU 64 H LEU 64 -18.085 17.712 14.501 1077 HA LEU 64 HA LEU 64 -19.869 19.884 14.825 1078 HG LEU 64 HG LEU 64 -20.992 19.253 11.393 1079 HB2 LEU 64 2HB LEU 64 -19.169 18.528 12.697 1080 HB3 LEU 64 1HB LEU 64 -20.510 17.493 13.138 1081 HD11 LEU 64 1HD1 LEU 64 -23.187 19.836 12.308 1082 HD12 LEU 64 2HD1 LEU 64 -22.659 19.292 13.901 1083 HD13 LEU 64 3HD1 LEU 64 -22.791 18.138 12.575 1084 HD21 LEU 64 1HD2 LEU 64 -20.828 21.095 13.771 1085 HD22 LEU 64 2HD2 LEU 64 -21.418 21.527 12.166 1086 HD23 LEU 64 3HD2 LEU 64 -19.728 21.079 12.392 1087 H GLU 65 H GLU 65 -20.040 16.469 15.708 1088 HA GLU 65 HA GLU 65 -22.817 16.694 16.458 1089 HB2 GLU 65 2HB GLU 65 -20.789 14.521 16.416 1090 HB3 GLU 65 1HB GLU 65 -22.206 14.344 17.423 1091 HG2 GLU 65 2HG GLU 65 -23.532 14.931 15.291 1092 HG3 GLU 65 1HG GLU 65 -22.028 14.563 14.450 1093 H HIS 66 H HIS 66 -20.195 17.867 17.858 1094 HA HIS 66 HA HIS 66 -19.907 18.864 19.888 1095 HD1 HIS 66 1HD HIS 66 -22.961 17.686 23.061 1096 HD2 HIS 66 2HD HIS 66 -20.601 20.853 21.743 1097 HE1 HIS 66 1HE HIS 66 -22.540 19.114 25.092 1098 HE2 HIS 66 2HE HIS 66 -21.059 20.992 24.290 1099 HB2 HIS 66 2HB HIS 66 -22.372 19.134 19.916 1100 HB3 HIS 66 1HB HIS 66 -22.526 17.546 20.651 1101 H HIS 67 H HIS 67 -19.281 15.989 19.119 1102 HA HIS 67 HA HIS 67 -18.107 14.245 19.949 1103 HD1 HIS 67 1HD HIS 67 -16.844 14.332 24.041 1104 HD2 HIS 67 2HD HIS 67 -15.095 13.764 20.308 1105 HE1 HIS 67 1HE HIS 67 -15.080 12.571 24.375 1106 HE2 HIS 67 2HE HIS 67 -13.887 12.418 22.159 1107 HB2 HIS 67 2HB HIS 67 -16.702 16.108 20.824 1108 HB3 HIS 67 1HB HIS 67 -17.601 16.032 22.334 1109 H HIS 68 H HIS 68 -19.904 12.895 20.157 1110 HA HIS 68 HA HIS 68 -21.126 12.698 22.803 1111 HD1 HIS 68 1HD HIS 68 -22.151 9.142 20.155 1112 HD2 HIS 68 2HD HIS 68 -21.515 12.873 18.436 1113 HE1 HIS 68 1HE HIS 68 -21.742 8.704 17.711 1114 HE2 HIS 68 2HE HIS 68 -21.621 11.003 16.662 1115 HB2 HIS 68 2HB HIS 68 -22.678 11.063 21.721 1116 HB3 HIS 68 1HB HIS 68 -22.737 12.675 21.027 1117 H HIS 69 H HIS 69 -21.688 10.223 23.295 1118 HA HIS 69 HA HIS 69 -19.161 9.166 24.055 1119 HD1 HIS 69 1HD HIS 69 -22.643 9.597 26.532 1120 HD2 HIS 69 2HD HIS 69 -18.620 8.538 26.555 1121 HE1 HIS 69 1HE HIS 69 -21.728 10.441 28.719 1122 HE2 HIS 69 2HE HIS 69 -19.260 9.907 28.647 1123 HB2 HIS 69 2HB HIS 69 -21.998 8.369 24.485 1124 HB3 HIS 69 1HB HIS 69 -20.733 7.184 24.801 1125 H HIS 70 H HIS 70 -18.885 6.715 23.952 1126 HA HIS 70 HA HIS 70 -18.601 6.057 21.114 1127 HD1 HIS 70 1HD HIS 70 -17.330 2.450 22.391 1128 HD2 HIS 70 2HD HIS 70 -15.285 5.442 20.343 1129 HE1 HIS 70 1HE HIS 70 -15.868 1.260 20.727 1130 HE2 HIS 70 2HE HIS 70 -14.501 3.080 19.641 1131 HB2 HIS 70 2HB HIS 70 -16.611 6.134 22.653 1132 HB3 HIS 70 1HB HIS 70 -17.315 4.805 23.559 1133 H HIS 71 H HIS 71 -19.133 3.908 20.378 1134 HA HIS 71 HA HIS 71 -21.428 2.762 21.677 1135 HD1 HIS 71 1HD HIS 71 -19.623 -0.524 19.568 1136 HD2 HIS 71 2HD HIS 71 -18.825 3.186 17.858 1137 HE1 HIS 71 1HE HIS 71 -17.609 -0.869 18.104 1138 HE2 HIS 71 2HE HIS 71 -17.041 1.424 17.218 1139 HB2 HIS 71 2HB HIS 71 -21.539 1.221 19.807 1140 HB3 HIS 71 1HB HIS 71 -21.245 2.841 19.193 Start of MODEL 20 1 HA MET 1 HA MET 1 33.758 -6.805 -20.545 2 H1 MET 1 1H MET 1 35.800 -6.009 -21.521 3 H2 MET 1 2H MET 1 35.198 -4.423 -21.533 4 H3 MET 1 3H MET 1 34.465 -5.617 -22.486 5 HB2 MET 1 2HB MET 1 35.203 -4.577 -19.128 6 HB3 MET 1 1HB MET 1 33.951 -5.521 -18.339 7 HG2 MET 1 2HG MET 1 36.459 -6.650 -19.548 8 HG3 MET 1 1HG MET 1 36.213 -6.319 -17.832 9 HE1 MET 1 1HE MET 1 36.814 -8.778 -17.154 10 HE2 MET 1 2HE MET 1 37.148 -9.145 -18.848 11 HE3 MET 1 3HE MET 1 36.104 -10.208 -17.905 12 H SER 2 H SER 2 31.784 -6.469 -21.350 13 HA SER 2 HA SER 2 30.495 -3.875 -20.775 14 HG SER 2 HG SER 2 31.090 -4.863 -24.087 15 HB2 SER 2 2HB SER 2 29.799 -5.953 -22.862 16 HB3 SER 2 1HB SER 2 28.916 -4.464 -22.574 17 H GLU 3 H GLU 3 30.789 -6.964 -19.849 18 HA GLU 3 HA GLU 3 28.249 -6.979 -18.409 19 HB2 GLU 3 2HB GLU 3 27.775 -8.380 -20.275 20 HB3 GLU 3 1HB GLU 3 29.341 -9.161 -20.179 21 HG2 GLU 3 2HG GLU 3 27.568 -9.465 -17.840 22 HG3 GLU 3 1HG GLU 3 27.084 -10.289 -19.321 23 H GLY 4 H GLY 4 28.413 -7.653 -16.362 24 HA2 GLY 4 2HA GLY 4 30.612 -9.421 -15.595 25 HA3 GLY 4 1HA GLY 4 30.407 -7.927 -14.691 26 H ALA 5 H ALA 5 29.624 -11.114 -14.811 27 HA ALA 5 HA ALA 5 26.915 -11.079 -13.987 28 HB1 ALA 5 1HB ALA 5 27.928 -13.011 -15.083 29 HB2 ALA 5 2HB ALA 5 27.206 -13.439 -13.533 30 HB3 ALA 5 3HB ALA 5 28.955 -13.267 -13.672 31 H GLU 6 H GLU 6 29.970 -11.131 -12.267 32 HA GLU 6 HA GLU 6 28.998 -11.776 -9.721 33 HB2 GLU 6 2HB GLU 6 31.391 -10.129 -10.543 34 HB3 GLU 6 1HB GLU 6 31.087 -10.675 -8.897 35 HG2 GLU 6 2HG GLU 6 31.161 -12.979 -9.642 36 HG3 GLU 6 1HG GLU 6 31.452 -12.454 -11.293 37 H GLU 7 H GLU 7 29.712 -8.597 -11.097 38 HA GLU 7 HA GLU 7 28.720 -7.080 -8.942 39 HB2 GLU 7 2HB GLU 7 30.138 -6.300 -10.936 40 HB3 GLU 7 1HB GLU 7 28.622 -6.180 -11.818 41 HG2 GLU 7 2HG GLU 7 27.785 -4.622 -10.102 42 HG3 GLU 7 1HG GLU 7 29.357 -4.698 -9.307 43 H LEU 8 H LEU 8 27.186 -8.363 -11.833 44 HA LEU 8 HA LEU 8 24.669 -7.171 -11.588 45 HG LEU 8 HG LEU 8 23.512 -7.580 -13.624 46 HB2 LEU 8 2HB LEU 8 25.803 -8.650 -13.454 47 HB3 LEU 8 1HB LEU 8 25.019 -9.967 -12.608 48 HD11 LEU 8 1HD1 LEU 8 22.929 -8.913 -15.588 49 HD12 LEU 8 2HD1 LEU 8 23.995 -10.204 -15.036 50 HD13 LEU 8 3HD1 LEU 8 24.670 -8.643 -15.503 51 HD21 LEU 8 1HD2 LEU 8 21.595 -9.095 -13.498 52 HD22 LEU 8 2HD2 LEU 8 22.385 -8.936 -11.929 53 HD23 LEU 8 3HD2 LEU 8 22.647 -10.381 -12.906 54 H LYS 9 H LYS 9 25.874 -10.298 -10.468 55 HA LYS 9 HA LYS 9 23.564 -11.197 -9.179 56 HB2 LYS 9 2HB LYS 9 25.591 -12.551 -9.751 57 HB3 LYS 9 1HB LYS 9 26.435 -11.774 -8.425 58 HG2 LYS 9 2HG LYS 9 24.781 -12.721 -6.859 59 HG3 LYS 9 1HG LYS 9 24.026 -13.568 -8.212 60 HD2 LYS 9 2HD LYS 9 26.182 -14.692 -8.662 61 HD3 LYS 9 1HD LYS 9 26.862 -13.896 -7.242 62 HE2 LYS 9 2HE LYS 9 25.154 -15.006 -5.848 63 HE3 LYS 9 1HE LYS 9 24.569 -15.855 -7.278 64 HZ1 LYS 9 1HZ LYS 9 26.052 -17.289 -6.102 65 HZ2 LYS 9 2HZ LYS 9 27.253 -16.098 -6.036 66 HZ3 LYS 9 3HZ LYS 9 26.836 -16.793 -7.523 67 H ALA 10 H ALA 10 26.365 -9.452 -7.892 68 HA ALA 10 HA ALA 10 25.510 -9.328 -5.226 69 HB1 ALA 10 1HB ALA 10 27.804 -8.828 -5.933 70 HB2 ALA 10 2HB ALA 10 27.117 -7.526 -4.960 71 HB3 ALA 10 3HB ALA 10 27.233 -7.348 -6.711 72 H LYS 11 H LYS 11 24.940 -7.158 -7.947 73 HA LYS 11 HA LYS 11 23.568 -5.148 -6.508 74 HB2 LYS 11 2HB LYS 11 24.508 -4.849 -8.784 75 HB3 LYS 11 1HB LYS 11 23.284 -5.935 -9.420 76 HG2 LYS 11 2HG LYS 11 22.640 -3.665 -9.859 77 HG3 LYS 11 1HG LYS 11 21.540 -4.360 -8.667 78 HD2 LYS 11 2HD LYS 11 22.716 -3.230 -6.879 79 HD3 LYS 11 1HD LYS 11 23.902 -2.598 -8.025 80 HE2 LYS 11 2HE LYS 11 22.095 -1.386 -9.181 81 HE3 LYS 11 1HE LYS 11 20.951 -1.981 -7.978 82 HZ1 LYS 11 1HZ LYS 11 22.097 -0.781 -6.270 83 HZ2 LYS 11 2HZ LYS 11 21.756 0.293 -7.541 84 HZ3 LYS 11 3HZ LYS 11 23.327 -0.318 -7.344 85 H LEU 12 H LEU 12 22.354 -7.833 -8.506 86 HA LEU 12 HA LEU 12 19.621 -7.417 -7.998 87 HG LEU 12 HG LEU 12 18.752 -10.434 -7.844 88 HB2 LEU 12 2HB LEU 12 20.436 -8.858 -9.804 89 HB3 LEU 12 1HB LEU 12 21.069 -9.994 -8.627 90 HD11 LEU 12 1HD1 LEU 12 16.869 -9.656 -9.172 91 HD12 LEU 12 2HD1 LEU 12 17.957 -8.711 -10.188 92 HD13 LEU 12 3HD1 LEU 12 17.758 -8.294 -8.487 93 HD21 LEU 12 1HD2 LEU 12 19.199 -10.842 -10.798 94 HD22 LEU 12 2HD2 LEU 12 18.067 -11.739 -9.785 95 HD23 LEU 12 3HD2 LEU 12 19.803 -11.877 -9.506 96 H LYS 13 H LYS 13 22.057 -9.315 -6.286 97 HA LYS 13 HA LYS 13 20.390 -10.593 -4.437 98 HB2 LYS 13 2HB LYS 13 22.836 -11.037 -4.806 99 HB3 LYS 13 1HB LYS 13 23.182 -9.565 -3.915 100 HG2 LYS 13 2HG LYS 13 21.936 -10.553 -1.981 101 HG3 LYS 13 1HG LYS 13 21.886 -12.070 -2.879 102 HD2 LYS 13 2HD LYS 13 24.338 -12.076 -2.982 103 HD3 LYS 13 1HD LYS 13 24.372 -10.573 -2.057 104 HE2 LYS 13 2HE LYS 13 23.118 -11.787 -0.248 105 HE3 LYS 13 1HE LYS 13 23.396 -13.273 -1.155 106 HZ1 LYS 13 1HZ LYS 13 25.797 -12.824 -1.002 107 HZ2 LYS 13 2HZ LYS 13 25.075 -13.035 0.519 108 HZ3 LYS 13 3HZ LYS 13 25.471 -11.478 -0.023 109 H LYS 14 H LYS 14 22.077 -7.482 -4.237 110 HA LYS 14 HA LYS 14 21.256 -6.818 -1.634 111 HB2 LYS 14 2HB LYS 14 23.075 -5.723 -3.090 112 HB3 LYS 14 1HB LYS 14 21.768 -4.779 -3.790 113 HG2 LYS 14 2HG LYS 14 21.242 -3.790 -1.686 114 HG3 LYS 14 1HG LYS 14 22.350 -4.871 -0.841 115 HD2 LYS 14 2HD LYS 14 24.213 -3.863 -2.181 116 HD3 LYS 14 1HD LYS 14 23.052 -2.681 -2.789 117 HE2 LYS 14 2HE LYS 14 23.683 -3.127 0.125 118 HE3 LYS 14 1HE LYS 14 24.400 -1.863 -0.870 119 HZ1 LYS 14 1HZ LYS 14 22.280 -0.851 -1.162 120 HZ2 LYS 14 2HZ LYS 14 22.476 -1.137 0.503 121 HZ3 LYS 14 3HZ LYS 14 21.479 -2.144 -0.418 122 H LEU 15 H LEU 15 19.851 -6.040 -4.791 123 HA LEU 15 HA LEU 15 17.670 -4.527 -3.844 124 HG LEU 15 HG LEU 15 19.554 -4.312 -6.251 125 HB2 LEU 15 2HB LEU 15 17.953 -6.204 -6.342 126 HB3 LEU 15 1HB LEU 15 16.642 -5.079 -6.050 127 HD11 LEU 15 1HD1 LEU 15 18.921 -3.329 -8.404 128 HD12 LEU 15 2HD1 LEU 15 17.305 -4.018 -8.238 129 HD13 LEU 15 3HD1 LEU 15 18.706 -5.079 -8.391 130 HD21 LEU 15 1HD2 LEU 15 18.261 -2.817 -4.823 131 HD22 LEU 15 2HD2 LEU 15 17.061 -2.622 -6.100 132 HD23 LEU 15 3HD2 LEU 15 18.703 -2.023 -6.335 133 H ASN 16 H ASN 16 18.056 -7.958 -4.565 134 HA ASN 16 HA ASN 16 15.403 -8.769 -4.113 135 HB2 ASN 16 2HB ASN 16 17.110 -10.132 -5.286 136 HB3 ASN 16 1HB ASN 16 17.953 -10.362 -3.759 137 HD21 ASN 16 1HD2 ASN 16 15.219 -11.234 -5.679 138 HD22 ASN 16 2HD2 ASN 16 14.697 -12.555 -4.698 139 H ALA 17 H ALA 17 18.239 -8.760 -1.971 140 HA ALA 17 HA ALA 17 16.968 -9.878 0.269 141 HB1 ALA 17 1HB ALA 17 19.404 -9.733 0.026 142 HB2 ALA 17 2HB ALA 17 18.850 -9.039 1.549 143 HB3 ALA 17 3HB ALA 17 19.307 -7.980 0.217 144 H GLN 18 H GLN 18 17.425 -6.490 -0.699 145 HA GLN 18 HA GLN 18 16.294 -5.348 1.611 146 HB2 GLN 18 2HB GLN 18 17.644 -4.147 -0.156 147 HB3 GLN 18 1HB GLN 18 16.206 -4.165 -1.167 148 HG2 GLN 18 2HG GLN 18 15.000 -2.872 0.503 149 HG3 GLN 18 1HG GLN 18 16.421 -2.877 1.545 150 HE21 GLN 18 1HE2 GLN 18 14.948 -1.569 -1.282 151 HE22 GLN 18 2HE2 GLN 18 16.082 -0.291 -1.543 152 H ALA 19 H ALA 19 14.869 -6.272 -1.503 153 HA ALA 19 HA ALA 19 12.254 -5.385 -0.975 154 HB1 ALA 19 1HB ALA 19 13.100 -7.686 -2.730 155 HB2 ALA 19 2HB ALA 19 13.082 -5.992 -3.215 156 HB3 ALA 19 3HB ALA 19 11.571 -6.807 -2.813 157 H THR 20 H THR 20 13.825 -8.513 -0.420 158 HA THR 20 HA THR 20 11.547 -9.858 0.553 159 HB THR 20 HB THR 20 14.439 -10.428 1.242 160 HG1 THR 20 1HG THR 20 14.278 -10.469 -0.981 161 HG21 THR 20 1HG2 THR 20 12.005 -12.219 1.189 162 HG22 THR 20 2HG2 THR 20 12.827 -11.639 2.637 163 HG23 THR 20 3HG2 THR 20 13.656 -12.736 1.532 164 H ALA 21 H ALA 21 13.944 -7.807 2.109 165 HA ALA 21 HA ALA 21 13.159 -8.299 4.785 166 HB1 ALA 21 1HB ALA 21 15.291 -7.244 4.215 167 HB2 ALA 21 2HB ALA 21 14.356 -6.239 5.322 168 HB3 ALA 21 3HB ALA 21 14.432 -5.829 3.608 169 H LEU 22 H LEU 22 12.210 -5.812 2.431 170 HA LEU 22 HA LEU 22 10.397 -4.443 4.082 171 HG LEU 22 HG LEU 22 10.833 -2.182 1.231 172 HB2 LEU 22 2HB LEU 22 10.878 -4.626 1.160 173 HB3 LEU 22 1HB LEU 22 9.309 -4.026 1.660 174 HD11 LEU 22 1HD1 LEU 22 9.146 -1.882 2.946 175 HD12 LEU 22 2HD1 LEU 22 10.615 -0.994 3.352 176 HD13 LEU 22 3HD1 LEU 22 10.250 -2.516 4.166 177 HD21 LEU 22 1HD2 LEU 22 12.941 -3.323 1.697 178 HD22 LEU 22 2HD2 LEU 22 12.550 -3.351 3.417 179 HD23 LEU 22 3HD2 LEU 22 12.816 -1.811 2.595 180 H LYS 23 H LYS 23 10.087 -7.381 2.235 181 HA LYS 23 HA LYS 23 7.334 -7.690 2.136 182 HB2 LYS 23 2HB LYS 23 8.700 -9.256 0.974 183 HB3 LYS 23 1HB LYS 23 9.557 -9.708 2.441 184 HG2 LYS 23 2HG LYS 23 7.540 -10.777 3.300 185 HG3 LYS 23 1HG LYS 23 6.663 -10.304 1.843 186 HD2 LYS 23 2HD LYS 23 7.971 -11.731 0.481 187 HD3 LYS 23 1HD LYS 23 9.156 -11.991 1.763 188 HE2 LYS 23 2HE LYS 23 7.712 -13.938 1.496 189 HE3 LYS 23 1HE LYS 23 7.481 -13.192 3.075 190 HZ1 LYS 23 1HZ LYS 23 5.694 -13.043 0.716 191 HZ2 LYS 23 2HZ LYS 23 5.529 -12.021 2.057 192 HZ3 LYS 23 3HZ LYS 23 5.353 -13.691 2.242 193 H MET 24 H MET 24 9.551 -8.736 4.732 194 HA MET 24 HA MET 24 7.369 -9.651 6.351 195 HB2 MET 24 2HB MET 24 9.060 -10.072 8.082 196 HB3 MET 24 1HB MET 24 9.518 -10.761 6.533 197 HG2 MET 24 2HG MET 24 11.010 -8.844 6.156 198 HG3 MET 24 1HG MET 24 10.587 -8.232 7.755 199 HE1 MET 24 1HE MET 24 13.143 -8.160 8.509 200 HE2 MET 24 2HE MET 24 13.579 -8.689 6.885 201 HE3 MET 24 3HE MET 24 14.252 -9.513 8.291 202 H ASP 25 H ASP 25 9.210 -6.680 6.107 203 HA ASP 25 HA ASP 25 8.324 -5.559 8.563 204 HB2 ASP 25 2HB ASP 25 9.665 -4.520 6.128 205 HB3 ASP 25 1HB ASP 25 8.821 -3.346 7.134 206 H LEU 26 H LEU 26 7.113 -5.327 5.231 207 HA LEU 26 HA LEU 26 4.953 -3.603 5.780 208 HG LEU 26 HG LEU 26 2.846 -4.898 3.876 209 HB2 LEU 26 2HB LEU 26 5.749 -4.140 3.506 210 HB3 LEU 26 1HB LEU 26 5.160 -5.779 3.690 211 HD11 LEU 26 1HD1 LEU 26 2.397 -2.575 3.277 212 HD12 LEU 26 2HD1 LEU 26 4.130 -2.256 3.197 213 HD13 LEU 26 3HD1 LEU 26 3.383 -2.678 4.736 214 HD21 LEU 26 1HD2 LEU 26 3.694 -5.669 1.726 215 HD22 LEU 26 2HD2 LEU 26 4.349 -4.066 1.393 216 HD23 LEU 26 3HD2 LEU 26 2.605 -4.298 1.510 217 H HIS 27 H HIS 27 5.284 -7.103 5.882 218 HA HIS 27 HA HIS 27 2.649 -7.801 6.455 219 HD1 HIS 27 1HD HIS 27 4.847 -10.709 9.204 220 HD2 HIS 27 2HD HIS 27 1.565 -10.437 6.661 221 HE1 HIS 27 1HE HIS 27 3.172 -12.371 10.073 222 HE2 HIS 27 2HE HIS 27 1.321 -12.370 8.363 223 HB2 HIS 27 2HB HIS 27 4.332 -9.466 5.910 224 HB3 HIS 27 1HB HIS 27 5.227 -9.086 7.376 225 H ASP 28 H ASP 28 5.290 -6.951 8.677 226 HA ASP 28 HA ASP 28 3.759 -7.322 11.042 227 HB2 ASP 28 2HB ASP 28 6.239 -7.347 10.991 228 HB3 ASP 28 1HB ASP 28 6.227 -5.619 10.658 229 H LEU 29 H LEU 29 4.358 -4.570 8.952 230 HA LEU 29 HA LEU 29 3.244 -2.570 10.604 231 HG LEU 29 HG LEU 29 1.847 -0.917 8.432 232 HB2 LEU 29 2HB LEU 29 4.623 -2.081 8.633 233 HB3 LEU 29 1HB LEU 29 3.370 -2.726 7.592 234 HD11 LEU 29 1HD1 LEU 29 4.403 0.151 9.619 235 HD12 LEU 29 2HD1 LEU 29 3.000 -0.430 10.517 236 HD13 LEU 29 3HD1 LEU 29 2.871 1.016 9.516 237 HD21 LEU 29 1HD2 LEU 29 2.950 -0.740 6.280 238 HD22 LEU 29 2HD2 LEU 29 4.392 -0.076 7.050 239 HD23 LEU 29 3HD2 LEU 29 2.884 0.839 7.063 240 H ALA 30 H ALA 30 1.837 -4.480 7.962 241 HA ALA 30 HA ALA 30 -0.786 -3.468 8.189 242 HB1 ALA 30 1HB ALA 30 0.031 -4.647 6.204 243 HB2 ALA 30 2HB ALA 30 -1.455 -5.368 6.819 244 HB3 ALA 30 3HB ALA 30 0.098 -6.149 7.124 245 H GLU 31 H GLU 31 0.958 -5.851 9.975 246 HA GLU 31 HA GLU 31 -1.292 -7.198 11.090 247 HB2 GLU 31 2HB GLU 31 1.079 -8.076 10.946 248 HB3 GLU 31 1HB GLU 31 1.482 -6.980 12.259 249 HG2 GLU 31 2HG GLU 31 1.086 -9.247 13.048 250 HG3 GLU 31 1HG GLU 31 -0.078 -8.104 13.718 251 H ASP 32 H ASP 32 0.441 -4.278 11.811 252 HA ASP 32 HA ASP 32 -0.795 -4.060 14.461 253 HB2 ASP 32 2HB ASP 32 1.669 -3.650 14.158 254 HB3 ASP 32 1HB ASP 32 1.267 -2.251 13.174 255 H LEU 33 H LEU 33 -2.210 -3.774 11.880 256 HA LEU 33 HA LEU 33 -2.857 -1.244 11.121 257 HG LEU 33 HG LEU 33 -2.815 -3.216 9.206 258 HB2 LEU 33 2HB LEU 33 -4.279 -3.821 11.062 259 HB3 LEU 33 1HB LEU 33 -5.250 -2.384 10.789 260 HD11 LEU 33 1HD1 LEU 33 -4.396 -3.467 7.361 261 HD12 LEU 33 2HD1 LEU 33 -5.728 -3.055 8.442 262 HD13 LEU 33 3HD1 LEU 33 -4.804 -4.533 8.706 263 HD21 LEU 33 1HD2 LEU 33 -2.900 -0.782 9.415 264 HD22 LEU 33 2HD2 LEU 33 -4.588 -0.785 8.908 265 HD23 LEU 33 3HD2 LEU 33 -3.329 -1.278 7.776 266 HA PRO 34 HA PRO 34 -5.576 1.661 12.300 267 HB2 PRO 34 2HB PRO 34 -6.521 -0.073 14.567 268 HB3 PRO 34 1HB PRO 34 -7.245 1.427 13.951 269 HG2 PRO 34 2HG PRO 34 -7.820 -1.128 12.958 270 HG3 PRO 34 1HG PRO 34 -8.103 0.388 12.086 271 HD2 PRO 34 2HD PRO 34 -6.316 -1.637 11.277 272 HD3 PRO 34 1HD PRO 34 -6.266 0.052 10.709 273 H THR 35 H THR 35 -2.911 0.220 13.307 274 HA THR 35 HA THR 35 -2.176 2.770 14.547 275 HB THR 35 HB THR 35 -0.694 0.301 15.349 276 HG1 THR 35 1HG THR 35 -3.066 0.115 15.799 277 HG21 THR 35 1HG2 THR 35 -0.243 1.640 17.358 278 HG22 THR 35 2HG2 THR 35 -1.255 2.932 16.714 279 HG23 THR 35 3HG2 THR 35 0.239 2.488 15.889 280 H GLY 36 H GLY 36 -0.020 3.419 13.988 281 HA2 GLY 36 2HA GLY 36 1.719 3.693 12.511 282 HA3 GLY 36 1HA GLY 36 1.726 1.944 12.356 283 H TRP 37 H TRP 37 -1.254 3.309 11.570 284 HA TRP 37 HA TRP 37 -1.293 2.452 8.926 285 HD1 TRP 37 HD TRP 37 -2.941 5.114 7.175 286 HE1 TRP 37 1HE TRP 37 -4.801 4.328 5.581 287 HE3 TRP 37 3HE TRP 37 -5.049 1.494 10.102 288 HZ2 TRP 37 2HZ TRP 37 -6.889 2.442 5.573 289 HZ3 TRP 37 3HZ TRP 37 -6.984 0.255 9.226 290 HH2 TRP 37 HH TRP 37 -7.887 0.718 7.007 291 HB2 TRP 37 2HB TRP 37 -3.252 3.009 10.441 292 HB3 TRP 37 1HB TRP 37 -2.954 4.698 10.089 293 H ASN 38 H ASN 38 -0.305 5.492 10.343 294 HA ASN 38 HA ASN 38 -0.108 7.081 8.047 295 HB2 ASN 38 2HB ASN 38 0.092 7.934 10.353 296 HB3 ASN 38 1HB ASN 38 1.640 7.117 10.518 297 HD21 ASN 38 1HD2 ASN 38 2.655 9.052 10.969 298 HD22 ASN 38 2HD2 ASN 38 2.987 10.233 9.751 299 H ARG 39 H ARG 39 1.958 4.531 9.237 300 HA ARG 39 HA ARG 39 4.218 5.272 7.591 301 HE ARG 39 HE ARG 39 7.577 5.009 10.933 302 HB2 ARG 39 2HB ARG 39 3.644 3.240 9.655 303 HB3 ARG 39 1HB ARG 39 4.808 2.771 8.426 304 HG2 ARG 39 2HG ARG 39 6.139 4.768 8.951 305 HG3 ARG 39 1HG ARG 39 4.986 5.182 10.221 306 HD2 ARG 39 2HD ARG 39 5.545 3.284 11.495 307 HD3 ARG 39 1HD ARG 39 6.378 2.524 10.141 308 HH11 ARG 39 1HH1 ARG 39 7.380 1.589 11.647 309 HH12 ARG 39 2HH1 ARG 39 8.966 1.502 12.349 310 HH21 ARG 39 1HH2 ARG 39 9.658 4.920 11.846 311 HH22 ARG 39 2HH2 ARG 39 10.273 3.413 12.463 312 H ILE 40 H ILE 40 1.336 3.673 7.010 313 HA ILE 40 HA ILE 40 2.021 1.421 5.549 314 HB ILE 40 HB ILE 40 -0.323 3.290 5.317 315 HG12 ILE 40 2HG1 ILE 40 -0.000 0.459 6.330 316 HG13 ILE 40 1HG1 ILE 40 -0.186 1.905 7.319 317 HG21 ILE 40 1HG2 ILE 40 0.030 0.717 3.782 318 HG22 ILE 40 2HG2 ILE 40 0.055 2.339 3.092 319 HG23 ILE 40 3HG2 ILE 40 -1.424 1.719 3.827 320 HD11 ILE 40 1HD1 ILE 40 -2.255 0.645 7.192 321 HD12 ILE 40 2HD1 ILE 40 -2.247 0.779 5.433 322 HD13 ILE 40 3HD1 ILE 40 -2.434 2.224 6.428 323 H MET 41 H MET 41 1.628 4.757 4.372 324 HA MET 41 HA MET 41 1.987 4.119 1.648 325 HB2 MET 41 2HB MET 41 2.411 6.742 3.083 326 HB3 MET 41 1HB MET 41 2.409 6.560 1.335 327 HG2 MET 41 2HG MET 41 0.114 6.036 3.203 328 HG3 MET 41 1HG MET 41 0.279 7.391 2.094 329 HE1 MET 41 1HE MET 41 0.032 5.575 -1.385 330 HE2 MET 41 2HE MET 41 1.507 5.896 -0.471 331 HE3 MET 41 3HE MET 41 0.244 7.122 -0.566 332 H GLU 42 H GLU 42 4.278 4.681 4.202 333 HA GLU 42 HA GLU 42 6.463 5.243 2.427 334 HB2 GLU 42 2HB GLU 42 6.446 6.059 4.763 335 HB3 GLU 42 1HB GLU 42 6.547 4.398 5.330 336 HG2 GLU 42 2HG GLU 42 8.695 4.169 4.119 337 HG3 GLU 42 1HG GLU 42 8.611 5.883 3.717 338 H VAL 43 H VAL 43 5.763 2.529 4.600 339 HA VAL 43 HA VAL 43 7.802 0.860 3.674 340 HB VAL 43 HB VAL 43 5.173 0.027 4.913 341 HG11 VAL 43 1HG1 VAL 43 7.820 -1.413 4.791 342 HG12 VAL 43 2HG1 VAL 43 6.376 -1.830 3.869 343 HG13 VAL 43 3HG1 VAL 43 6.371 -1.974 5.627 344 HG21 VAL 43 1HG2 VAL 43 6.335 1.658 6.301 345 HG22 VAL 43 2HG2 VAL 43 7.817 0.708 6.201 346 HG23 VAL 43 3HG2 VAL 43 6.410 0.056 7.041 347 H ALA 44 H ALA 44 4.434 1.176 2.593 348 HA ALA 44 HA ALA 44 4.462 -1.093 0.897 349 HB1 ALA 44 1HB ALA 44 2.449 -0.160 -0.102 350 HB2 ALA 44 2HB ALA 44 2.752 1.381 0.700 351 HB3 ALA 44 3HB ALA 44 2.381 -0.053 1.658 352 H GLU 45 H GLU 45 5.209 2.329 0.333 353 HA GLU 45 HA GLU 45 5.424 2.158 -2.470 354 HB2 GLU 45 2HB GLU 45 5.239 4.274 -1.133 355 HB3 GLU 45 1HB GLU 45 6.917 4.058 -0.658 356 HG2 GLU 45 2HG GLU 45 7.602 4.193 -2.992 357 HG3 GLU 45 1HG GLU 45 5.921 4.396 -3.478 358 H LYS 46 H LYS 46 7.861 1.931 0.101 359 HA LYS 46 HA LYS 46 10.088 1.568 -1.583 360 HB2 LYS 46 2HB LYS 46 9.633 0.681 1.266 361 HB3 LYS 46 1HB LYS 46 11.184 0.600 0.439 362 HG2 LYS 46 2HG LYS 46 11.106 3.041 0.118 363 HG3 LYS 46 1HG LYS 46 9.602 3.086 1.046 364 HD2 LYS 46 2HD LYS 46 10.783 2.073 2.945 365 HD3 LYS 46 1HD LYS 46 12.283 2.118 2.023 366 HE2 LYS 46 2HE LYS 46 12.070 4.574 1.860 367 HE3 LYS 46 1HE LYS 46 10.626 4.490 2.869 368 HZ1 LYS 46 1HZ LYS 46 13.379 3.717 3.661 369 HZ2 LYS 46 2HZ LYS 46 12.003 3.489 4.625 370 HZ3 LYS 46 3HZ LYS 46 12.501 5.059 4.217 371 H THR 47 H THR 47 7.890 -0.758 -0.073 372 HA THR 47 HA THR 47 9.211 -3.103 -0.870 373 HB THR 47 HB THR 47 6.224 -2.724 -0.530 374 HG1 THR 47 1HG THR 47 7.174 -2.071 1.367 375 HG21 THR 47 1HG2 THR 47 6.204 -5.096 0.018 376 HG22 THR 47 2HG2 THR 47 7.950 -5.186 -0.215 377 HG23 THR 47 3HG2 THR 47 6.893 -4.852 -1.586 378 H TYR 48 H TYR 48 6.681 -1.190 -2.459 379 HA TYR 48 HA TYR 48 6.363 -2.888 -4.690 380 HD1 TYR 48 2HD TYR 48 3.609 -2.541 -5.696 381 HD2 TYR 48 1HD TYR 48 6.242 0.587 -6.880 382 HE1 TYR 48 2HE TYR 48 2.704 -2.650 -7.980 383 HE2 TYR 48 1HE TYR 48 5.341 0.489 -9.165 384 HH TYR 48 HH TYR 48 2.498 -1.158 -9.950 385 HB2 TYR 48 2HB TYR 48 4.731 -1.136 -4.033 386 HB3 TYR 48 1HB TYR 48 5.885 0.096 -4.534 387 H GLU 49 H GLU 49 8.232 0.118 -4.292 388 HA GLU 49 HA GLU 49 9.315 0.240 -6.845 389 HB2 GLU 49 2HB GLU 49 10.108 1.306 -4.179 390 HB3 GLU 49 1HB GLU 49 11.227 1.464 -5.517 391 HG2 GLU 49 2HG GLU 49 8.390 2.461 -5.518 392 HG3 GLU 49 1HG GLU 49 9.814 3.450 -5.193 393 H ALA 50 H ALA 50 10.522 -1.441 -3.968 394 HA ALA 50 HA ALA 50 13.017 -2.183 -5.057 395 HB1 ALA 50 1HB ALA 50 12.498 -2.251 -2.648 396 HB2 ALA 50 2HB ALA 50 13.156 -3.777 -3.236 397 HB3 ALA 50 3HB ALA 50 11.425 -3.622 -2.932 398 H TYR 51 H TYR 51 9.945 -4.016 -4.857 399 HA TYR 51 HA TYR 51 10.975 -6.238 -6.289 400 HD1 TYR 51 2HD TYR 51 10.253 -8.478 -5.760 401 HD2 TYR 51 1HD TYR 51 7.994 -5.867 -3.272 402 HE1 TYR 51 2HE TYR 51 10.596 -10.002 -3.864 403 HE2 TYR 51 1HE TYR 51 8.334 -7.384 -1.364 404 HH TYR 51 HH TYR 51 10.612 -9.853 -1.365 405 HB2 TYR 51 2HB TYR 51 8.217 -5.354 -5.513 406 HB3 TYR 51 1HB TYR 51 8.432 -6.701 -6.621 407 H ARG 52 H ARG 52 9.287 -3.311 -7.227 408 HA ARG 52 HA ARG 52 8.770 -3.910 -9.915 409 HE ARG 52 HE ARG 52 7.950 0.537 -12.429 410 HB2 ARG 52 2HB ARG 52 7.833 -1.953 -8.838 411 HB3 ARG 52 1HB ARG 52 9.437 -1.295 -8.552 412 HG2 ARG 52 2HG ARG 52 9.751 -1.091 -10.987 413 HG3 ARG 52 1HG ARG 52 8.098 -1.664 -11.220 414 HD2 ARG 52 2HD ARG 52 7.246 0.232 -9.960 415 HD3 ARG 52 1HD ARG 52 8.891 0.792 -9.663 416 HH11 ARG 52 1HH1 ARG 52 8.929 2.551 -9.743 417 HH12 ARG 52 2HH1 ARG 52 9.154 3.968 -10.727 418 HH21 ARG 52 1HH2 ARG 52 8.211 2.391 -13.717 419 HH22 ARG 52 2HH2 ARG 52 8.733 3.879 -12.996 420 H GLN 53 H GLN 53 11.511 -2.156 -8.492 421 HA GLN 53 HA GLN 53 13.056 -2.043 -10.849 422 HB2 GLN 53 2HB GLN 53 13.421 -1.444 -7.996 423 HB3 GLN 53 1HB GLN 53 14.901 -1.906 -8.818 424 HG2 GLN 53 2HG GLN 53 14.739 0.457 -8.914 425 HG3 GLN 53 1HG GLN 53 14.397 -0.153 -10.529 426 HE21 GLN 53 1HE2 GLN 53 13.129 1.421 -7.733 427 HE22 GLN 53 2HE2 GLN 53 11.622 1.914 -8.421 428 H LEU 54 H LEU 54 12.746 -4.454 -8.343 429 HA LEU 54 HA LEU 54 15.020 -5.999 -8.923 430 HG LEU 54 HG LEU 54 15.189 -7.987 -7.442 431 HB2 LEU 54 2HB LEU 54 13.441 -6.176 -6.926 432 HB3 LEU 54 1HB LEU 54 12.364 -7.072 -7.973 433 HD11 LEU 54 1HD1 LEU 54 14.286 -9.438 -5.713 434 HD12 LEU 54 2HD1 LEU 54 12.686 -8.731 -5.937 435 HD13 LEU 54 3HD1 LEU 54 14.007 -7.744 -5.312 436 HD21 LEU 54 1HD2 LEU 54 14.085 -9.000 -9.367 437 HD22 LEU 54 2HD2 LEU 54 12.698 -9.423 -8.364 438 HD23 LEU 54 3HD2 LEU 54 14.264 -10.177 -8.065 439 H ASP 55 H ASP 55 11.656 -6.277 -10.093 440 HA ASP 55 HA ASP 55 12.257 -8.460 -11.832 441 HB2 ASP 55 2HB ASP 55 9.969 -7.982 -10.950 442 HB3 ASP 55 1HB ASP 55 9.896 -6.561 -11.990 443 H GLU 56 H GLU 56 12.170 -4.956 -12.260 444 HA GLU 56 HA GLU 56 12.512 -5.050 -15.075 445 HB2 GLU 56 2HB GLU 56 12.784 -2.974 -12.967 446 HB3 GLU 56 1HB GLU 56 13.568 -2.666 -14.510 447 HG2 GLU 56 2HG GLU 56 11.471 -2.927 -15.675 448 HG3 GLU 56 1HG GLU 56 10.661 -3.378 -14.178 449 H PHE 57 H PHE 57 14.714 -5.294 -12.389 450 HA PHE 57 HA PHE 57 17.070 -5.100 -14.015 451 HD1 PHE 57 1HD PHE 57 18.848 -3.605 -12.722 452 HD2 PHE 57 2HD PHE 57 18.904 -7.574 -11.197 453 HE1 PHE 57 1HE PHE 57 21.310 -3.578 -12.758 454 HE2 PHE 57 2HE PHE 57 21.363 -7.560 -11.237 455 HZ PHE 57 HZ PHE 57 22.571 -5.560 -12.017 456 HB2 PHE 57 2HB PHE 57 16.884 -4.666 -11.493 457 HB3 PHE 57 1HB PHE 57 16.887 -6.416 -11.304 458 H ARG 58 H ARG 58 15.079 -7.725 -12.703 459 HA ARG 58 HA ARG 58 16.763 -9.795 -13.646 460 HE ARG 58 HE ARG 58 13.463 -12.785 -12.760 461 HB2 ARG 58 2HB ARG 58 15.017 -11.292 -13.004 462 HB3 ARG 58 1HB ARG 58 15.142 -10.058 -11.781 463 HG2 ARG 58 2HG ARG 58 13.166 -8.997 -12.570 464 HG3 ARG 58 1HG ARG 58 13.108 -10.051 -13.984 465 HD2 ARG 58 2HD ARG 58 12.921 -11.042 -11.148 466 HD3 ARG 58 1HD ARG 58 11.520 -10.648 -12.144 467 HH11 ARG 58 1HH1 ARG 58 10.246 -11.384 -12.977 468 HH12 ARG 58 2HH1 ARG 58 9.566 -12.797 -13.739 469 HH21 ARG 58 1HH2 ARG 58 12.566 -14.608 -13.757 470 HH22 ARG 58 2HH2 ARG 58 10.876 -14.631 -14.166 471 H LYS 59 H LYS 59 14.031 -8.048 -15.027 472 HA LYS 59 HA LYS 59 13.576 -9.648 -17.284 473 HB2 LYS 59 2HB LYS 59 13.275 -6.693 -16.783 474 HB3 LYS 59 1HB LYS 59 12.934 -7.381 -18.364 475 HG2 LYS 59 2HG LYS 59 11.593 -8.253 -15.814 476 HG3 LYS 59 1HG LYS 59 10.934 -7.056 -16.929 477 HD2 LYS 59 2HD LYS 59 11.054 -8.799 -18.726 478 HD3 LYS 59 1HD LYS 59 11.475 -9.970 -17.477 479 HE2 LYS 59 2HE LYS 59 8.966 -8.299 -17.496 480 HE3 LYS 59 1HE LYS 59 9.065 -9.964 -18.061 481 HZ1 LYS 59 1HZ LYS 59 9.715 -10.646 -15.838 482 HZ2 LYS 59 2HZ LYS 59 8.224 -9.843 -15.804 483 HZ3 LYS 59 3HZ LYS 59 9.622 -9.041 -15.285 484 H SER 60 H SER 60 15.863 -7.017 -16.723 485 HA SER 60 HA SER 60 16.945 -6.908 -19.296 486 HG SER 60 HG SER 60 18.654 -5.009 -19.211 487 HB2 SER 60 2HB SER 60 17.279 -5.201 -17.496 488 HB3 SER 60 1HB SER 60 18.402 -6.314 -16.715 489 H THR 61 H THR 61 18.115 -8.698 -16.447 490 HA THR 61 HA THR 61 20.300 -9.824 -17.861 491 HB THR 61 HB THR 61 20.462 -9.636 -15.466 492 HG1 THR 61 1HG THR 61 20.641 -12.115 -16.718 493 HG21 THR 61 1HG2 THR 61 18.112 -9.936 -14.872 494 HG22 THR 61 2HG2 THR 61 19.146 -11.028 -13.947 495 HG23 THR 61 3HG2 THR 61 18.211 -11.640 -15.313 496 H ALA 62 H ALA 62 16.989 -10.899 -17.335 497 HA ALA 62 HA ALA 62 17.372 -13.561 -18.241 498 HB1 ALA 62 1HB ALA 62 14.958 -13.661 -18.450 499 HB2 ALA 62 2HB ALA 62 14.852 -11.905 -18.340 500 HB3 ALA 62 3HB ALA 62 15.400 -12.843 -16.951 501 H SER 63 H SER 63 16.661 -10.525 -19.844 502 HA SER 63 HA SER 63 16.117 -11.565 -22.403 503 HG SER 63 HG SER 63 15.226 -9.075 -20.705 504 HB2 SER 63 2HB SER 63 17.223 -8.859 -21.613 505 HB3 SER 63 1HB SER 63 16.559 -9.263 -23.197 506 H LEU 64 H LEU 64 19.120 -10.413 -20.897 507 HA LEU 64 HA LEU 64 20.726 -10.926 -23.200 508 HG LEU 64 HG LEU 64 22.668 -8.439 -21.321 509 HB2 LEU 64 2HB LEU 64 21.290 -10.240 -20.347 510 HB3 LEU 64 1HB LEU 64 22.596 -10.845 -21.347 511 HD11 LEU 64 1HD1 LEU 64 22.484 -7.956 -23.725 512 HD12 LEU 64 2HD1 LEU 64 21.632 -9.484 -23.949 513 HD13 LEU 64 3HD1 LEU 64 23.308 -9.481 -23.400 514 HD21 LEU 64 1HD2 LEU 64 20.821 -7.078 -22.210 515 HD22 LEU 64 2HD2 LEU 64 20.368 -7.948 -20.745 516 HD23 LEU 64 3HD2 LEU 64 19.823 -8.528 -22.318 517 H GLU 65 H GLU 65 19.675 -12.801 -20.479 518 HA GLU 65 HA GLU 65 21.501 -14.974 -20.922 519 HB2 GLU 65 2HB GLU 65 20.272 -14.350 -18.744 520 HB3 GLU 65 1HB GLU 65 18.878 -15.149 -19.450 521 HG2 GLU 65 2HG GLU 65 20.193 -17.216 -19.651 522 HG3 GLU 65 1HG GLU 65 21.546 -16.408 -18.860 523 H HIS 66 H HIS 66 18.787 -13.819 -22.407 524 HA HIS 66 HA HIS 66 17.469 -14.489 -24.121 525 HD1 HIS 66 1HD HIS 66 18.038 -18.288 -26.021 526 HD2 HIS 66 2HD HIS 66 17.913 -14.264 -27.063 527 HE1 HIS 66 1HE HIS 66 16.896 -18.203 -28.256 528 HE2 HIS 66 2HE HIS 66 17.018 -15.784 -28.960 529 HB2 HIS 66 2HB HIS 66 19.740 -15.235 -25.000 530 HB3 HIS 66 1HB HIS 66 19.332 -16.848 -24.434 531 H HIS 67 H HIS 67 16.936 -15.344 -21.419 532 HA HIS 67 HA HIS 67 15.396 -17.788 -21.997 533 HD1 HIS 67 1HD HIS 67 18.654 -18.624 -18.811 534 HD2 HIS 67 2HD HIS 67 16.594 -19.729 -22.257 535 HE1 HIS 67 1HE HIS 67 19.978 -20.515 -19.823 536 HE2 HIS 67 2HE HIS 67 18.639 -21.256 -21.833 537 HB2 HIS 67 2HB HIS 67 16.809 -16.997 -19.454 538 HB3 HIS 67 1HB HIS 67 15.513 -18.187 -19.471 539 H HIS 68 H HIS 68 13.317 -17.490 -21.997 540 HA HIS 68 HA HIS 68 11.244 -16.628 -21.659 541 HD1 HIS 68 1HD HIS 68 13.184 -17.943 -17.874 542 HD2 HIS 68 2HD HIS 68 9.744 -18.534 -20.146 543 HE1 HIS 68 1HE HIS 68 12.526 -20.347 -17.509 544 HE2 HIS 68 2HE HIS 68 10.362 -20.637 -18.767 545 HB2 HIS 68 2HB HIS 68 12.435 -15.861 -18.984 546 HB3 HIS 68 1HB HIS 68 10.719 -15.806 -19.368 547 H HIS 69 H HIS 69 13.138 -14.977 -23.028 548 HA HIS 69 HA HIS 69 13.024 -12.281 -22.228 549 HD1 HIS 69 1HD HIS 69 12.597 -11.814 -26.722 550 HD2 HIS 69 2HD HIS 69 14.496 -10.050 -23.466 551 HE1 HIS 69 1HE HIS 69 12.877 -9.389 -27.330 552 HE2 HIS 69 2HE HIS 69 13.897 -8.312 -25.291 553 HB2 HIS 69 2HB HIS 69 14.560 -13.012 -23.971 554 HB3 HIS 69 1HB HIS 69 13.215 -13.485 -25.000 555 H HIS 70 H HIS 70 10.798 -14.338 -23.943 556 HA HIS 70 HA HIS 70 8.770 -12.220 -23.710 557 HD1 HIS 70 1HD HIS 70 6.420 -14.975 -25.745 558 HD2 HIS 70 2HD HIS 70 7.129 -10.904 -26.237 559 HE1 HIS 70 1HE HIS 70 4.200 -13.965 -26.349 560 HE2 HIS 70 2HE HIS 70 4.665 -11.521 -26.732 561 HB2 HIS 70 2HB HIS 70 9.322 -12.659 -26.093 562 HB3 HIS 70 1HB HIS 70 8.913 -14.356 -25.859 563 H HIS 71 H HIS 71 7.023 -12.773 -22.543 564 HA HIS 71 HA HIS 71 6.761 -15.613 -21.780 565 HD1 HIS 71 1HD HIS 71 3.854 -13.929 -18.974 566 HD2 HIS 71 2HD HIS 71 6.797 -16.866 -19.116 567 HE1 HIS 71 1HE HIS 71 3.017 -15.805 -17.518 568 HE2 HIS 71 2HE HIS 71 4.723 -17.640 -17.775 569 HB2 HIS 71 2HB HIS 71 7.352 -14.086 -19.905 570 HB3 HIS 71 1HB HIS 71 5.875 -13.179 -20.212 571 HA MET 1 HA MET 1 -23.295 23.735 1.434 572 H1 MET 1 1H MET 1 -23.649 23.262 -1.468 573 H2 MET 1 2H MET 1 -22.884 22.182 -0.409 574 H3 MET 1 3H MET 1 -22.229 23.723 -0.662 575 HB2 MET 1 2HB MET 1 -23.547 25.711 -0.122 576 HB3 MET 1 1HB MET 1 -25.145 25.099 -0.529 577 HG2 MET 1 2HG MET 1 -25.751 25.258 1.877 578 HG3 MET 1 1HG MET 1 -24.190 26.020 2.174 579 HE1 MET 1 1HE MET 1 -26.649 26.447 -0.899 580 HE2 MET 1 2HE MET 1 -27.575 27.851 -0.368 581 HE3 MET 1 3HE MET 1 -27.700 26.327 0.511 582 H SER 2 H SER 2 -24.524 21.469 -0.515 583 HA SER 2 HA SER 2 -27.231 21.339 0.419 584 HG SER 2 HG SER 2 -27.227 20.557 -2.475 585 HB2 SER 2 2HB SER 2 -25.621 19.091 -0.789 586 HB3 SER 2 1HB SER 2 -27.370 19.287 -0.795 587 H GLU 3 H GLU 3 -27.969 20.359 2.199 588 HA GLU 3 HA GLU 3 -26.035 18.879 3.842 589 HB2 GLU 3 2HB GLU 3 -26.325 21.124 4.736 590 HB3 GLU 3 1HB GLU 3 -28.067 20.922 4.740 591 HG2 GLU 3 2HG GLU 3 -26.563 18.932 6.289 592 HG3 GLU 3 1HG GLU 3 -26.494 20.587 6.893 593 H GLY 4 H GLY 4 -26.654 16.950 4.421 594 HA2 GLY 4 2HA GLY 4 -29.402 16.317 5.033 595 HA3 GLY 4 1HA GLY 4 -28.789 15.515 3.596 596 H ALA 5 H ALA 5 -29.235 15.180 6.808 597 HA ALA 5 HA ALA 5 -26.791 14.055 7.704 598 HB1 ALA 5 1HB ALA 5 -28.048 13.359 9.662 599 HB2 ALA 5 2HB ALA 5 -29.567 13.697 8.832 600 HB3 ALA 5 3HB ALA 5 -28.462 15.016 9.220 601 H GLU 6 H GLU 6 -29.590 12.677 6.065 602 HA GLU 6 HA GLU 6 -29.036 9.992 6.663 603 HB2 GLU 6 2HB GLU 6 -30.452 9.566 4.665 604 HB3 GLU 6 1HB GLU 6 -31.190 10.559 5.878 605 HG2 GLU 6 2HG GLU 6 -29.837 11.860 3.580 606 HG3 GLU 6 1HG GLU 6 -31.421 11.127 3.346 607 H GLU 7 H GLU 7 -28.146 12.100 4.011 608 HA GLU 7 HA GLU 7 -26.621 10.181 2.574 609 HB2 GLU 7 2HB GLU 7 -27.503 12.327 1.633 610 HB3 GLU 7 1HB GLU 7 -26.286 13.182 2.562 611 HG2 GLU 7 2HG GLU 7 -24.517 12.103 1.350 612 HG3 GLU 7 1HG GLU 7 -25.676 11.087 0.493 613 H LEU 8 H LEU 8 -25.887 12.551 5.043 614 HA LEU 8 HA LEU 8 -23.116 12.319 5.134 615 HG LEU 8 HG LEU 8 -25.067 14.663 5.567 616 HB2 LEU 8 2HB LEU 8 -25.174 12.919 7.254 617 HB3 LEU 8 1HB LEU 8 -23.464 13.048 7.532 618 HD11 LEU 8 1HD1 LEU 8 -25.392 15.328 7.884 619 HD12 LEU 8 2HD1 LEU 8 -24.477 16.548 6.999 620 HD13 LEU 8 3HD1 LEU 8 -23.648 15.451 8.104 621 HD21 LEU 8 1HD2 LEU 8 -22.837 14.191 4.687 622 HD22 LEU 8 2HD2 LEU 8 -22.117 14.784 6.184 623 HD23 LEU 8 3HD2 LEU 8 -23.003 15.890 5.134 624 H LYS 9 H LYS 9 -25.604 10.581 6.970 625 HA LYS 9 HA LYS 9 -23.926 8.799 8.337 626 HB2 LYS 9 2HB LYS 9 -26.308 9.136 8.861 627 HB3 LYS 9 1HB LYS 9 -26.757 8.386 7.342 628 HG2 LYS 9 2HG LYS 9 -25.609 6.301 8.156 629 HG3 LYS 9 1HG LYS 9 -25.492 7.086 9.734 630 HD2 LYS 9 2HD LYS 9 -27.896 7.306 9.847 631 HD3 LYS 9 1HD LYS 9 -28.062 6.658 8.214 632 HE2 LYS 9 2HE LYS 9 -27.007 4.544 9.042 633 HE3 LYS 9 1HE LYS 9 -27.104 5.207 10.676 634 HZ1 LYS 9 1HZ LYS 9 -29.508 5.395 10.401 635 HZ2 LYS 9 2HZ LYS 9 -28.992 3.792 10.208 636 HZ3 LYS 9 3HZ LYS 9 -29.393 4.722 8.848 637 H ALA 10 H ALA 10 -25.657 8.400 5.272 638 HA ALA 10 HA ALA 10 -24.751 5.818 4.673 639 HB1 ALA 10 1HB ALA 10 -25.494 8.025 2.757 640 HB2 ALA 10 2HB ALA 10 -26.614 6.902 3.529 641 HB3 ALA 10 3HB ALA 10 -25.417 6.304 2.382 642 H LYS 11 H LYS 11 -23.281 8.957 4.166 643 HA LYS 11 HA LYS 11 -21.177 8.127 2.468 644 HB2 LYS 11 2HB LYS 11 -21.922 10.500 2.844 645 HB3 LYS 11 1HB LYS 11 -21.154 10.438 4.424 646 HG2 LYS 11 2HG LYS 11 -19.714 11.560 2.849 647 HG3 LYS 11 1HG LYS 11 -18.989 10.025 3.332 648 HD2 LYS 11 2HD LYS 11 -19.632 8.992 1.285 649 HD3 LYS 11 1HD LYS 11 -20.613 10.385 0.821 650 HE2 LYS 11 2HE LYS 11 -17.623 10.398 1.193 651 HE3 LYS 11 1HE LYS 11 -18.449 10.307 -0.359 652 HZ1 LYS 11 1HZ LYS 11 -17.863 12.546 -0.042 653 HZ2 LYS 11 2HZ LYS 11 -18.424 12.570 1.557 654 HZ3 LYS 11 3HZ LYS 11 -19.527 12.474 0.273 655 H LEU 12 H LEU 12 -21.230 8.757 5.973 656 HA LEU 12 HA LEU 12 -18.623 7.832 6.484 657 HG LEU 12 HG LEU 12 -19.331 6.474 9.320 658 HB2 LEU 12 2HB LEU 12 -19.873 9.183 8.089 659 HB3 LEU 12 1HB LEU 12 -21.044 7.895 8.293 660 HD11 LEU 12 1HD1 LEU 12 -17.368 7.308 8.150 661 HD12 LEU 12 2HD1 LEU 12 -17.138 7.393 9.896 662 HD13 LEU 12 3HD1 LEU 12 -17.510 8.856 8.983 663 HD21 LEU 12 1HD2 LEU 12 -19.073 7.718 11.394 664 HD22 LEU 12 2HD2 LEU 12 -20.691 7.935 10.726 665 HD23 LEU 12 3HD2 LEU 12 -19.488 9.215 10.562 666 H LYS 13 H LYS 13 -21.749 6.215 6.474 667 HA LYS 13 HA LYS 13 -20.947 3.685 7.373 668 HB2 LYS 13 2HB LYS 13 -23.290 4.468 7.077 669 HB3 LYS 13 1HB LYS 13 -23.087 4.343 5.342 670 HG2 LYS 13 2HG LYS 13 -22.814 1.962 5.486 671 HG3 LYS 13 1HG LYS 13 -22.847 2.031 7.251 672 HD2 LYS 13 2HD LYS 13 -25.133 2.781 7.234 673 HD3 LYS 13 1HD LYS 13 -25.114 2.929 5.476 674 HE2 LYS 13 2HE LYS 13 -24.768 0.354 7.009 675 HE3 LYS 13 1HE LYS 13 -26.270 0.895 6.261 676 HZ1 LYS 13 1HZ LYS 13 -25.252 -0.593 4.760 677 HZ2 LYS 13 2HZ LYS 13 -23.738 0.157 4.905 678 HZ3 LYS 13 3HZ LYS 13 -25.006 0.958 4.115 679 H LYS 14 H LYS 14 -21.156 4.984 4.091 680 HA LYS 14 HA LYS 14 -20.341 2.634 2.764 681 HB2 LYS 14 2HB LYS 14 -21.487 4.739 1.807 682 HB3 LYS 14 1HB LYS 14 -19.862 5.403 1.689 683 HG2 LYS 14 2HG LYS 14 -19.203 3.516 0.273 684 HG3 LYS 14 1HG LYS 14 -20.848 2.885 0.368 685 HD2 LYS 14 2HD LYS 14 -21.635 5.050 -0.620 686 HD3 LYS 14 1HD LYS 14 -19.941 5.472 -0.885 687 HE2 LYS 14 2HE LYS 14 -21.389 3.084 -2.020 688 HE3 LYS 14 1HE LYS 14 -20.914 4.532 -2.904 689 HZ1 LYS 14 1HZ LYS 14 -18.660 3.975 -2.744 690 HZ2 LYS 14 2HZ LYS 14 -19.427 2.505 -3.106 691 HZ3 LYS 14 3HZ LYS 14 -18.925 2.831 -1.521 692 H LEU 15 H LEU 15 -18.532 5.442 3.942 693 HA LEU 15 HA LEU 15 -16.015 4.651 2.921 694 HG LEU 15 HG LEU 15 -15.395 8.134 3.836 695 HB2 LEU 15 2HB LEU 15 -16.986 6.614 4.903 696 HB3 LEU 15 1HB LEU 15 -15.330 6.080 5.115 697 HD11 LEU 15 1HD1 LEU 15 -14.651 5.745 2.158 698 HD12 LEU 15 2HD1 LEU 15 -13.617 6.598 3.305 699 HD13 LEU 15 3HD1 LEU 15 -14.156 7.406 1.834 700 HD21 LEU 15 1HD2 LEU 15 -17.098 6.618 1.865 701 HD22 LEU 15 2HD2 LEU 15 -16.420 8.225 1.611 702 HD23 LEU 15 3HD2 LEU 15 -17.616 7.963 2.880 703 H ASN 16 H ASN 16 -17.648 4.044 5.992 704 HA ASN 16 HA ASN 16 -15.569 2.755 7.344 705 HB2 ASN 16 2HB ASN 16 -17.827 3.494 8.264 706 HB3 ASN 16 1HB ASN 16 -18.492 2.023 7.568 707 HD21 ASN 16 1HD2 ASN 16 -18.400 2.850 10.336 708 HD22 ASN 16 2HD2 ASN 16 -17.509 1.632 11.185 709 H ALA 17 H ALA 17 -18.129 1.417 5.293 710 HA ALA 17 HA ALA 17 -17.356 -1.276 5.436 711 HB1 ALA 17 1HB ALA 17 -18.732 0.148 3.162 712 HB2 ALA 17 2HB ALA 17 -19.529 -0.516 4.587 713 HB3 ALA 17 3HB ALA 17 -18.719 -1.591 3.448 714 H GLN 18 H GLN 18 -16.492 1.265 3.114 715 HA GLN 18 HA GLN 18 -14.976 -0.348 1.384 716 HB2 GLN 18 2HB GLN 18 -15.790 1.895 0.790 717 HB3 GLN 18 1HB GLN 18 -14.693 2.608 1.962 718 HG2 GLN 18 2HG GLN 18 -12.785 1.855 0.703 719 HG3 GLN 18 1HG GLN 18 -13.833 1.004 -0.431 720 HE21 GLN 18 1HE2 GLN 18 -15.058 2.175 -1.898 721 HE22 GLN 18 2HE2 GLN 18 -14.687 3.824 -2.288 722 H ALA 19 H ALA 19 -13.980 1.675 4.133 723 HA ALA 19 HA ALA 19 -11.219 1.217 3.920 724 HB1 ALA 19 1HB ALA 19 -12.144 3.005 5.291 725 HB2 ALA 19 2HB ALA 19 -11.091 1.966 6.252 726 HB3 ALA 19 3HB ALA 19 -12.842 1.816 6.393 727 H THR 20 H THR 20 -13.758 -0.613 5.544 728 HA THR 20 HA THR 20 -12.046 -2.389 6.932 729 HB THR 20 HB THR 20 -14.894 -2.876 6.034 730 HG1 THR 20 1HG THR 20 -14.747 -0.995 7.310 731 HG21 THR 20 1HG2 THR 20 -13.263 -4.126 8.251 732 HG22 THR 20 2HG2 THR 20 -13.766 -4.920 6.759 733 HG23 THR 20 3HG2 THR 20 -14.975 -4.426 7.944 734 H ALA 21 H ALA 21 -13.560 -2.492 3.737 735 HA ALA 21 HA ALA 21 -12.875 -5.153 3.092 736 HB1 ALA 21 1HB ALA 21 -13.376 -4.545 0.798 737 HB2 ALA 21 2HB ALA 21 -13.295 -2.833 1.212 738 HB3 ALA 21 3HB ALA 21 -14.575 -3.842 1.884 739 H LEU 22 H LEU 22 -11.243 -2.069 2.477 740 HA LEU 22 HA LEU 22 -9.049 -3.250 1.080 741 HG LEU 22 HG LEU 22 -9.098 0.237 -0.085 742 HB2 LEU 22 2HB LEU 22 -9.667 -0.543 2.173 743 HB3 LEU 22 1HB LEU 22 -8.012 -0.914 1.737 744 HD11 LEU 22 1HD1 LEU 22 -8.753 -1.408 -1.888 745 HD12 LEU 22 2HD1 LEU 22 -8.659 -2.682 -0.672 746 HD13 LEU 22 3HD1 LEU 22 -7.449 -1.402 -0.702 747 HD21 LEU 22 1HD2 LEU 22 -11.103 -2.014 -0.077 748 HD22 LEU 22 2HD2 LEU 22 -11.003 -0.726 -1.277 749 HD23 LEU 22 3HD2 LEU 22 -11.415 -0.343 0.395 750 H LYS 23 H LYS 23 -9.675 -2.351 4.411 751 HA LYS 23 HA LYS 23 -7.163 -2.512 5.542 752 HB2 LYS 23 2HB LYS 23 -9.082 -1.797 6.814 753 HB3 LYS 23 1HB LYS 23 -9.838 -3.372 6.643 754 HG2 LYS 23 2HG LYS 23 -7.935 -4.327 7.965 755 HG3 LYS 23 1HG LYS 23 -7.413 -2.668 8.272 756 HD2 LYS 23 2HD LYS 23 -9.494 -2.163 9.365 757 HD3 LYS 23 1HD LYS 23 -10.145 -3.747 8.941 758 HE2 LYS 23 2HE LYS 23 -8.279 -4.761 10.282 759 HE3 LYS 23 1HE LYS 23 -7.887 -3.135 10.841 760 HZ1 LYS 23 1HZ LYS 23 -10.460 -4.565 11.254 761 HZ2 LYS 23 2HZ LYS 23 -10.151 -2.970 11.737 762 HZ3 LYS 23 3HZ LYS 23 -9.285 -4.252 12.437 763 H MET 24 H MET 24 -9.500 -5.186 5.143 764 HA MET 24 HA MET 24 -7.715 -7.125 6.207 765 HB2 MET 24 2HB MET 24 -9.334 -8.795 5.423 766 HB3 MET 24 1HB MET 24 -10.113 -7.489 6.304 767 HG2 MET 24 2HG MET 24 -10.809 -6.479 4.188 768 HG3 MET 24 1HG MET 24 -10.031 -7.794 3.309 769 HE1 MET 24 1HE MET 24 -10.852 -10.317 3.385 770 HE2 MET 24 2HE MET 24 -12.177 -10.879 4.405 771 HE3 MET 24 3HE MET 24 -10.687 -10.288 5.140 772 H ASP 25 H ASP 25 -8.313 -5.918 2.985 773 HA ASP 25 HA ASP 25 -7.092 -8.078 1.598 774 HB2 ASP 25 2HB ASP 25 -8.672 -6.453 0.552 775 HB3 ASP 25 1HB ASP 25 -7.418 -5.219 0.658 776 H LEU 26 H LEU 26 -5.944 -4.912 2.693 777 HA LEU 26 HA LEU 26 -3.330 -5.119 1.654 778 HG LEU 26 HG LEU 26 -1.857 -3.666 4.026 779 HB2 LEU 26 2HB LEU 26 -4.318 -3.005 2.404 780 HB3 LEU 26 1HB LEU 26 -4.331 -3.585 4.058 781 HD11 LEU 26 1HD1 LEU 26 -1.513 -3.985 1.639 782 HD12 LEU 26 2HD1 LEU 26 -0.647 -2.560 2.211 783 HD13 LEU 26 3HD1 LEU 26 -2.157 -2.376 1.318 784 HD21 LEU 26 1HD2 LEU 26 -3.023 -1.711 4.894 785 HD22 LEU 26 2HD2 LEU 26 -3.055 -1.002 3.280 786 HD23 LEU 26 3HD2 LEU 26 -1.516 -1.250 4.104 787 H HIS 27 H HIS 27 -4.725 -6.082 4.753 788 HA HIS 27 HA HIS 27 -2.341 -6.819 6.052 789 HD1 HIS 27 1HD HIS 27 -5.531 -8.669 8.994 790 HD2 HIS 27 2HD HIS 27 -1.563 -8.528 7.728 791 HE1 HIS 27 1HE HIS 27 -4.214 -9.932 10.727 792 HE2 HIS 27 2HE HIS 27 -1.805 -9.708 10.030 793 HB2 HIS 27 2HB HIS 27 -4.547 -6.548 7.170 794 HB3 HIS 27 1HB HIS 27 -5.104 -8.019 6.388 795 H ASP 28 H ASP 28 -4.500 -8.592 3.894 796 HA ASP 28 HA ASP 28 -3.144 -11.092 4.142 797 HB2 ASP 28 2HB ASP 28 -5.537 -10.735 3.357 798 HB3 ASP 28 1HB ASP 28 -4.862 -10.199 1.823 799 H LEU 29 H LEU 29 -3.153 -8.524 1.700 800 HA LEU 29 HA LEU 29 -1.424 -9.703 -0.146 801 HG LEU 29 HG LEU 29 0.071 -7.125 -1.081 802 HB2 LEU 29 2HB LEU 29 -2.845 -7.755 -0.607 803 HB3 LEU 29 1HB LEU 29 -1.851 -6.776 0.453 804 HD11 LEU 29 1HD1 LEU 29 -1.998 -8.468 -2.814 805 HD12 LEU 29 2HD1 LEU 29 -0.577 -9.222 -2.091 806 HD13 LEU 29 3HD1 LEU 29 -0.383 -7.992 -3.340 807 HD21 LEU 29 1HD2 LEU 29 -0.732 -5.626 -2.830 808 HD22 LEU 29 2HD2 LEU 29 -1.317 -5.124 -1.244 809 HD23 LEU 29 3HD2 LEU 29 -2.399 -5.957 -2.359 810 H ALA 30 H ALA 30 -0.730 -7.837 2.752 811 HA ALA 30 HA ALA 30 1.971 -7.266 2.297 812 HB1 ALA 30 1HB ALA 30 0.605 -7.810 4.930 813 HB2 ALA 30 2HB ALA 30 0.664 -6.255 4.103 814 HB3 ALA 30 3HB ALA 30 2.149 -6.985 4.713 815 H GLU 31 H GLU 31 0.418 -10.154 3.620 816 HA GLU 31 HA GLU 31 2.987 -11.427 4.084 817 HB2 GLU 31 2HB GLU 31 0.990 -11.783 5.587 818 HB3 GLU 31 1HB GLU 31 0.245 -12.681 4.271 819 HG2 GLU 31 2HG GLU 31 2.044 -14.297 4.316 820 HG3 GLU 31 1HG GLU 31 2.864 -13.378 5.577 821 H ASP 32 H ASP 32 0.370 -11.463 1.794 822 HA ASP 32 HA ASP 32 1.343 -13.806 0.397 823 HB2 ASP 32 2HB ASP 32 -1.104 -13.202 0.771 824 HB3 ASP 32 1HB ASP 32 -0.882 -11.958 -0.453 825 H LEU 33 H LEU 33 2.896 -11.272 0.552 826 HA LEU 33 HA LEU 33 3.058 -9.887 -1.809 827 HG LEU 33 HG LEU 33 3.619 -8.739 0.810 828 HB2 LEU 33 2HB LEU 33 5.054 -10.598 0.287 829 HB3 LEU 33 1HB LEU 33 5.612 -9.816 -1.183 830 HD11 LEU 33 1HD1 LEU 33 5.956 -8.495 1.449 831 HD12 LEU 33 2HD1 LEU 33 5.243 -6.934 1.044 832 HD13 LEU 33 3HD1 LEU 33 6.310 -7.740 -0.105 833 HD21 LEU 33 1HD2 LEU 33 3.562 -6.742 -0.679 834 HD22 LEU 33 2HD2 LEU 33 2.798 -8.172 -1.370 835 HD23 LEU 33 3HD2 LEU 33 4.406 -7.688 -1.906 836 HA PRO 34 HA PRO 34 4.357 -10.314 -5.364 837 HB2 PRO 34 2HB PRO 34 6.274 -12.600 -4.993 838 HB3 PRO 34 1HB PRO 34 6.202 -11.411 -6.302 839 HG2 PRO 34 2HG PRO 34 7.750 -11.144 -3.999 840 HG3 PRO 34 1HG PRO 34 7.265 -9.811 -5.063 841 HD2 PRO 34 2HD PRO 34 6.484 -10.161 -2.364 842 HD3 PRO 34 1HD PRO 34 5.754 -9.035 -3.531 843 H THR 35 H THR 35 2.700 -10.896 -6.141 844 HA THR 35 HA THR 35 1.825 -13.252 -7.187 845 HB THR 35 HB THR 35 0.619 -12.756 -4.437 846 HG1 THR 35 1HG THR 35 2.425 -14.238 -4.617 847 HG21 THR 35 1HG2 THR 35 -1.199 -13.017 -6.053 848 HG22 THR 35 2HG2 THR 35 -1.093 -14.420 -4.991 849 HG23 THR 35 3HG2 THR 35 -0.473 -14.514 -6.640 850 H GLY 36 H GLY 36 0.577 -10.589 -5.211 851 HA2 GLY 36 2HA GLY 36 -0.508 -9.372 -7.673 852 HA3 GLY 36 1HA GLY 36 -1.418 -9.364 -6.168 853 H TRP 37 H TRP 37 2.056 -8.888 -6.531 854 HA TRP 37 HA TRP 37 2.100 -6.713 -4.747 855 HD1 TRP 37 HD TRP 37 3.980 -9.907 -7.069 856 HE1 TRP 37 1HE TRP 37 5.156 -9.859 -9.360 857 HE3 TRP 37 3HE TRP 37 5.260 -4.956 -7.212 858 HZ2 TRP 37 2HZ TRP 37 6.455 -7.966 -11.000 859 HZ3 TRP 37 3HZ TRP 37 6.475 -4.109 -9.177 860 HH2 TRP 37 HH TRP 37 7.061 -5.585 -11.033 861 HB2 TRP 37 2HB TRP 37 4.481 -6.508 -5.365 862 HB3 TRP 37 1HB TRP 37 4.028 -8.170 -5.001 863 H ASN 38 H ASN 38 1.568 -6.836 -8.152 864 HA ASN 38 HA ASN 38 2.363 -4.192 -8.808 865 HB2 ASN 38 2HB ASN 38 1.987 -5.904 -10.524 866 HB3 ASN 38 1HB ASN 38 0.284 -5.985 -10.094 867 HD21 ASN 38 1HD2 ASN 38 2.767 -4.083 -11.622 868 HD22 ASN 38 2HD2 ASN 38 1.704 -3.017 -12.468 869 H ARG 39 H ARG 39 -0.183 -5.437 -6.988 870 HA ARG 39 HA ARG 39 -1.994 -3.192 -7.454 871 HE ARG 39 HE ARG 39 -5.634 -5.276 -3.905 872 HB2 ARG 39 2HB ARG 39 -2.998 -5.353 -7.602 873 HB3 ARG 39 1HB ARG 39 -2.260 -5.873 -6.101 874 HG2 ARG 39 2HG ARG 39 -3.710 -4.361 -4.854 875 HG3 ARG 39 1HG ARG 39 -4.443 -3.815 -6.368 876 HD2 ARG 39 2HD ARG 39 -5.462 -5.868 -6.761 877 HD3 ARG 39 1HD ARG 39 -4.373 -6.727 -5.677 878 HH11 ARG 39 1HH1 ARG 39 -7.012 -6.746 -6.757 879 HH12 ARG 39 2HH1 ARG 39 -8.525 -7.122 -5.997 880 HH21 ARG 39 1HH2 ARG 39 -7.611 -5.742 -2.891 881 HH22 ARG 39 2HH2 ARG 39 -8.889 -6.506 -3.795 882 H ILE 40 H ILE 40 0.558 -3.851 -5.468 883 HA ILE 40 HA ILE 40 -0.309 -3.429 -2.860 884 HB ILE 40 HB ILE 40 2.331 -2.754 -4.143 885 HG12 ILE 40 2HG1 ILE 40 1.520 -4.975 -2.264 886 HG13 ILE 40 1HG1 ILE 40 1.720 -5.144 -4.005 887 HG21 ILE 40 1HG2 ILE 40 1.613 -2.676 -1.212 888 HG22 ILE 40 2HG2 ILE 40 2.061 -1.298 -2.219 889 HG23 ILE 40 3HG2 ILE 40 3.247 -2.554 -1.869 890 HD11 ILE 40 1HD1 ILE 40 4.080 -4.578 -3.792 891 HD12 ILE 40 2HD1 ILE 40 3.657 -5.979 -2.807 892 HD13 ILE 40 3HD1 ILE 40 3.881 -4.402 -2.050 893 H MET 41 H MET 41 0.853 -0.975 -5.181 894 HA MET 41 HA MET 41 0.746 1.137 -3.292 895 HB2 MET 41 2HB MET 41 0.857 1.217 -6.308 896 HB3 MET 41 1HB MET 41 0.980 2.637 -5.279 897 HG2 MET 41 2HG MET 41 2.869 0.297 -5.329 898 HG3 MET 41 1HG MET 41 3.165 1.902 -5.995 899 HE1 MET 41 1HE MET 41 3.595 4.068 -4.544 900 HE2 MET 41 2HE MET 41 3.398 4.123 -2.793 901 HE3 MET 41 3HE MET 41 1.995 3.857 -3.829 902 H GLU 42 H GLU 42 -1.474 0.087 -5.846 903 HA GLU 42 HA GLU 42 -3.319 2.187 -5.592 904 HB2 GLU 42 2HB GLU 42 -3.257 0.362 -7.375 905 HB3 GLU 42 1HB GLU 42 -4.086 -0.663 -6.214 906 HG2 GLU 42 2HG GLU 42 -5.864 1.081 -6.062 907 HG3 GLU 42 1HG GLU 42 -5.075 1.917 -7.396 908 H VAL 43 H VAL 43 -3.201 -0.988 -4.011 909 HA VAL 43 HA VAL 43 -5.442 -0.679 -2.370 910 HB VAL 43 HB VAL 43 -2.888 -2.199 -1.810 911 HG11 VAL 43 1HG1 VAL 43 -4.057 -1.697 0.280 912 HG12 VAL 43 2HG1 VAL 43 -4.153 -3.414 -0.109 913 HG13 VAL 43 3HG1 VAL 43 -5.546 -2.368 -0.386 914 HG21 VAL 43 1HG2 VAL 43 -4.081 -2.991 -3.763 915 HG22 VAL 43 2HG2 VAL 43 -5.583 -3.074 -2.842 916 HG23 VAL 43 3HG2 VAL 43 -4.243 -4.151 -2.444 917 H ALA 44 H ALA 44 -2.025 0.059 -1.654 918 HA ALA 44 HA ALA 44 -2.367 1.106 0.897 919 HB1 ALA 44 1HB ALA 44 -0.252 2.268 0.555 920 HB2 ALA 44 2HB ALA 44 -0.373 2.001 -1.184 921 HB3 ALA 44 3HB ALA 44 -0.178 0.631 -0.092 922 H GLU 45 H GLU 45 -2.401 2.840 -2.211 923 HA GLU 45 HA GLU 45 -2.848 5.394 -1.230 924 HB2 GLU 45 2HB GLU 45 -3.490 4.040 -3.824 925 HB3 GLU 45 1HB GLU 45 -3.947 5.706 -3.546 926 HG2 GLU 45 2HG GLU 45 -1.553 6.208 -3.061 927 HG3 GLU 45 1HG GLU 45 -1.173 4.558 -3.557 928 H LYS 46 H LYS 46 -5.249 3.002 -2.350 929 HA LYS 46 HA LYS 46 -7.459 4.710 -1.861 930 HB2 LYS 46 2HB LYS 46 -7.246 1.751 -2.341 931 HB3 LYS 46 1HB LYS 46 -8.789 2.564 -2.096 932 HG2 LYS 46 2HG LYS 46 -8.413 3.959 -4.022 933 HG3 LYS 46 1HG LYS 46 -6.800 3.282 -4.239 934 HD2 LYS 46 2HD LYS 46 -7.765 1.096 -4.678 935 HD3 LYS 46 1HD LYS 46 -9.386 1.740 -4.427 936 HE2 LYS 46 2HE LYS 46 -9.095 3.244 -6.321 937 HE3 LYS 46 1HE LYS 46 -7.455 2.649 -6.560 938 HZ1 LYS 46 1HZ LYS 46 -9.891 0.956 -6.747 939 HZ2 LYS 46 2HZ LYS 46 -8.300 0.499 -7.134 940 HZ3 LYS 46 3HZ LYS 46 -9.106 1.652 -8.076 941 H THR 47 H THR 47 -6.001 2.080 0.016 942 HA THR 47 HA THR 47 -7.927 2.032 2.077 943 HB THR 47 HB THR 47 -4.998 1.341 2.391 944 HG1 THR 47 1HG THR 47 -5.685 0.152 0.651 945 HG21 THR 47 1HG2 THR 47 -5.835 -0.282 4.027 946 HG22 THR 47 2HG2 THR 47 -7.479 0.293 3.753 947 HG23 THR 47 3HG2 THR 47 -6.279 1.367 4.471 948 H TYR 48 H TYR 48 -4.841 3.766 1.765 949 HA TYR 48 HA TYR 48 -4.886 4.963 4.319 950 HD1 TYR 48 2HD TYR 48 -2.138 5.115 5.090 951 HD2 TYR 48 1HD TYR 48 -3.307 8.333 2.569 952 HE1 TYR 48 2HE TYR 48 -0.979 6.690 6.575 953 HE2 TYR 48 1HE TYR 48 -2.149 9.921 4.047 954 HH TYR 48 HH TYR 48 0.015 8.935 6.487 955 HB2 TYR 48 2HB TYR 48 -2.904 4.743 2.757 956 HB3 TYR 48 1HB TYR 48 -3.578 6.080 1.836 957 H GLU 49 H GLU 49 -5.982 6.045 1.142 958 HA GLU 49 HA GLU 49 -6.654 8.687 1.872 959 HB2 GLU 49 2HB GLU 49 -6.279 7.855 -0.454 960 HB3 GLU 49 1HB GLU 49 -7.827 7.033 -0.365 961 HG2 GLU 49 2HG GLU 49 -8.942 9.191 -0.052 962 HG3 GLU 49 1HG GLU 49 -7.382 10.003 -0.193 963 H ALA 50 H ALA 50 -8.675 5.784 1.483 964 HA ALA 50 HA ALA 50 -11.140 6.981 2.018 965 HB1 ALA 50 1HB ALA 50 -10.884 4.734 1.067 966 HB2 ALA 50 2HB ALA 50 -11.967 4.744 2.458 967 HB3 ALA 50 3HB ALA 50 -10.315 4.147 2.628 968 H TYR 51 H TYR 51 -8.775 5.540 4.211 969 HA TYR 51 HA TYR 51 -10.367 5.751 6.547 970 HD1 TYR 51 2HD TYR 51 -9.799 3.197 7.546 971 HD2 TYR 51 1HD TYR 51 -7.227 6.263 8.981 972 HE1 TYR 51 2HE TYR 51 -10.129 2.383 9.838 973 HE2 TYR 51 1HE TYR 51 -7.548 5.460 11.284 974 HH TYR 51 HH TYR 51 -9.254 4.157 12.563 975 HB2 TYR 51 2HB TYR 51 -8.170 4.392 6.056 976 HB3 TYR 51 1HB TYR 51 -7.374 5.842 6.653 977 H ARG 52 H ARG 52 -8.108 7.918 4.951 978 HA ARG 52 HA ARG 52 -7.869 9.872 6.965 979 HE ARG 52 HE ARG 52 -3.503 9.836 6.484 980 HB2 ARG 52 2HB ARG 52 -7.677 9.960 3.967 981 HB3 ARG 52 1HB ARG 52 -7.523 11.422 4.927 982 HG2 ARG 52 2HG ARG 52 -5.788 8.983 5.190 983 HG3 ARG 52 1HG ARG 52 -5.383 10.459 4.315 984 HD2 ARG 52 2HD ARG 52 -5.795 11.692 6.491 985 HD3 ARG 52 1HD ARG 52 -5.808 10.109 7.268 986 HH11 ARG 52 1HH1 ARG 52 -4.875 13.056 6.557 987 HH12 ARG 52 2HH1 ARG 52 -3.329 13.860 6.629 988 HH21 ARG 52 1HH2 ARG 52 -1.460 10.873 6.562 989 HH22 ARG 52 2HH2 ARG 52 -1.384 12.608 6.637 990 H GLN 53 H GLN 53 -9.916 9.832 4.094 991 HA GLN 53 HA GLN 53 -11.452 12.087 4.733 992 HB2 GLN 53 2HB GLN 53 -11.346 11.069 2.487 993 HB3 GLN 53 1HB GLN 53 -12.264 9.689 3.075 994 HG2 GLN 53 2HG GLN 53 -14.204 11.019 3.411 995 HG3 GLN 53 1HG GLN 53 -13.303 12.510 3.133 996 HE21 GLN 53 1HE2 GLN 53 -12.751 13.092 1.048 997 HE22 GLN 53 2HE2 GLN 53 -13.459 12.352 -0.351 998 H LEU 54 H LEU 54 -11.878 8.701 5.597 999 HA LEU 54 HA LEU 54 -14.411 8.890 6.795 1000 HG LEU 54 HG LEU 54 -15.077 6.810 7.999 1001 HB2 LEU 54 2HB LEU 54 -13.139 6.792 6.263 1002 HB3 LEU 54 1HB LEU 54 -12.107 7.126 7.636 1003 HD11 LEU 54 1HD1 LEU 54 -14.316 4.839 6.781 1004 HD12 LEU 54 2HD1 LEU 54 -14.705 4.439 8.454 1005 HD13 LEU 54 3HD1 LEU 54 -13.021 4.601 7.957 1006 HD21 LEU 54 1HD2 LEU 54 -12.708 6.323 9.807 1007 HD22 LEU 54 2HD2 LEU 54 -14.399 6.067 10.236 1008 HD23 LEU 54 3HD2 LEU 54 -13.814 7.694 9.887 1009 H ASP 55 H ASP 55 -11.156 9.209 8.198 1010 HA ASP 55 HA ASP 55 -12.000 9.842 10.816 1011 HB2 ASP 55 2HB ASP 55 -9.708 9.092 10.239 1012 HB3 ASP 55 1HB ASP 55 -9.427 10.617 9.410 1013 H GLU 56 H GLU 56 -11.162 11.877 8.036 1014 HA GLU 56 HA GLU 56 -11.485 14.384 9.257 1015 HB2 GLU 56 2HB GLU 56 -11.762 13.424 6.418 1016 HB3 GLU 56 1HB GLU 56 -12.069 15.102 6.836 1017 HG2 GLU 56 2HG GLU 56 -9.808 15.332 7.669 1018 HG3 GLU 56 1HG GLU 56 -9.496 13.630 7.339 1019 H PHE 57 H PHE 57 -13.819 12.295 7.605 1020 HA PHE 57 HA PHE 57 -16.009 14.067 7.889 1021 HD1 PHE 57 1HD PHE 57 -17.680 13.573 5.528 1022 HD2 PHE 57 2HD PHE 57 -18.283 10.862 8.752 1023 HE1 PHE 57 1HE PHE 57 -20.112 13.854 5.305 1024 HE2 PHE 57 2HE PHE 57 -20.718 11.147 8.537 1025 HZ PHE 57 HZ PHE 57 -21.632 12.641 6.810 1026 HB2 PHE 57 2HB PHE 57 -15.892 12.113 6.303 1027 HB3 PHE 57 1HB PHE 57 -16.134 11.053 7.690 1028 H ARG 58 H ARG 58 -14.654 11.524 9.906 1029 HA ARG 58 HA ARG 58 -16.725 11.421 11.809 1030 HE ARG 58 HE ARG 58 -17.713 7.930 13.237 1031 HB2 ARG 58 2HB ARG 58 -14.105 10.285 11.493 1032 HB3 ARG 58 1HB ARG 58 -14.302 10.861 13.145 1033 HG2 ARG 58 2HG ARG 58 -16.280 9.073 11.752 1034 HG3 ARG 58 1HG ARG 58 -14.970 8.487 12.781 1035 HD2 ARG 58 2HD ARG 58 -15.898 9.367 14.696 1036 HD3 ARG 58 1HD ARG 58 -16.820 10.582 13.816 1037 HH11 ARG 58 1HH1 ARG 58 -17.844 10.448 15.650 1038 HH12 ARG 58 2HH1 ARG 58 -19.443 10.039 16.189 1039 HH21 ARG 58 1HH2 ARG 58 -19.856 7.377 13.945 1040 HH22 ARG 58 2HH2 ARG 58 -20.584 8.319 15.219 1041 H LYS 59 H LYS 59 -13.813 13.453 11.616 1042 HA LYS 59 HA LYS 59 -14.290 14.861 14.030 1043 HB2 LYS 59 2HB LYS 59 -12.658 15.336 11.596 1044 HB3 LYS 59 1HB LYS 59 -13.066 16.750 12.552 1045 HG2 LYS 59 2HG LYS 59 -10.955 16.009 13.291 1046 HG3 LYS 59 1HG LYS 59 -12.113 15.562 14.542 1047 HD2 LYS 59 2HD LYS 59 -12.143 13.271 13.722 1048 HD3 LYS 59 1HD LYS 59 -11.043 13.710 12.413 1049 HE2 LYS 59 2HE LYS 59 -9.352 14.350 14.097 1050 HE3 LYS 59 1HE LYS 59 -10.448 13.814 15.368 1051 HZ1 LYS 59 1HZ LYS 59 -8.832 12.111 14.864 1052 HZ2 LYS 59 2HZ LYS 59 -9.288 12.109 13.227 1053 HZ3 LYS 59 3HZ LYS 59 -10.376 11.584 14.410 1054 H SER 60 H SER 60 -15.263 15.429 10.695 1055 HA SER 60 HA SER 60 -16.529 17.892 11.058 1056 HG SER 60 HG SER 60 -15.024 16.322 8.862 1057 HB2 SER 60 2HB SER 60 -17.177 15.727 9.050 1058 HB3 SER 60 1HB SER 60 -17.644 17.423 8.922 1059 H THR 61 H THR 61 -17.962 14.633 10.997 1060 HA THR 61 HA THR 61 -20.597 15.570 11.423 1061 HB THR 61 HB THR 61 -20.114 13.369 10.389 1062 HG1 THR 61 1HG THR 61 -21.893 13.758 12.498 1063 HG21 THR 61 1HG2 THR 61 -19.439 12.506 13.205 1064 HG22 THR 61 2HG2 THR 61 -18.302 12.629 11.862 1065 HG23 THR 61 3HG2 THR 61 -19.605 11.441 11.809 1066 H ALA 62 H ALA 62 -18.039 14.629 13.638 1067 HA ALA 62 HA ALA 62 -19.677 14.402 15.945 1068 HB1 ALA 62 1HB ALA 62 -16.734 15.041 15.765 1069 HB2 ALA 62 2HB ALA 62 -17.440 13.428 15.855 1070 HB3 ALA 62 3HB ALA 62 -17.598 14.536 17.218 1071 H SER 63 H SER 63 -18.095 17.075 14.343 1072 HA SER 63 HA SER 63 -18.470 18.977 16.416 1073 HG SER 63 HG SER 63 -16.329 18.371 14.176 1074 HB2 SER 63 2HB SER 63 -18.134 19.418 13.436 1075 HB3 SER 63 1HB SER 63 -17.940 20.646 14.689 1076 H LEU 64 H LEU 64 -20.477 17.799 13.803 1077 HA LEU 64 HA LEU 64 -22.469 19.860 14.152 1078 HG LEU 64 HG LEU 64 -22.831 18.977 10.594 1079 HB2 LEU 64 2HB LEU 64 -22.201 17.454 12.406 1080 HB3 LEU 64 1HB LEU 64 -23.792 18.147 12.648 1081 HD11 LEU 64 1HD1 LEU 64 -22.973 21.391 11.008 1082 HD12 LEU 64 2HD1 LEU 64 -22.884 21.088 12.742 1083 HD13 LEU 64 3HD1 LEU 64 -24.262 20.498 11.814 1084 HD21 LEU 64 1HD2 LEU 64 -20.573 20.046 12.280 1085 HD22 LEU 64 2HD2 LEU 64 -20.813 20.338 10.557 1086 HD23 LEU 64 3HD2 LEU 64 -20.468 18.708 11.138 1087 H GLU 65 H GLU 65 -22.109 16.454 14.938 1088 HA GLU 65 HA GLU 65 -24.693 16.016 15.965 1089 HB2 GLU 65 2HB GLU 65 -23.088 14.251 15.281 1090 HB3 GLU 65 1HB GLU 65 -22.113 14.623 16.689 1091 HG2 GLU 65 2HG GLU 65 -24.109 14.045 18.097 1092 HG3 GLU 65 1HG GLU 65 -24.873 13.445 16.627 1093 H HIS 66 H HIS 66 -22.051 17.677 17.178 1094 HA HIS 66 HA HIS 66 -22.400 17.234 19.960 1095 HD1 HIS 66 1HD HIS 66 -21.093 20.975 20.993 1096 HD2 HIS 66 2HD HIS 66 -19.614 17.096 21.316 1097 HE1 HIS 66 1HE HIS 66 -20.071 20.820 23.289 1098 HE2 HIS 66 2HE HIS 66 -19.295 18.430 23.508 1099 HB2 HIS 66 2HB HIS 66 -20.319 18.133 18.746 1100 HB3 HIS 66 1HB HIS 66 -21.126 19.699 18.789 1101 H HIS 67 H HIS 67 -24.167 19.090 17.711 1102 HA HIS 67 HA HIS 67 -25.558 20.337 19.967 1103 HD1 HIS 67 1HD HIS 67 -26.501 22.296 16.026 1104 HD2 HIS 67 2HD HIS 67 -22.510 21.653 16.997 1105 HE1 HIS 67 1HE HIS 67 -25.238 22.488 13.866 1106 HE2 HIS 67 2HE HIS 67 -22.813 22.340 14.526 1107 HB2 HIS 67 2HB HIS 67 -26.015 22.361 18.552 1108 HB3 HIS 67 1HB HIS 67 -24.347 22.175 19.069 1109 H HIS 68 H HIS 68 -27.027 18.606 19.837 1110 HA HIS 68 HA HIS 68 -28.760 18.422 17.540 1111 HD1 HIS 68 1HD HIS 68 -29.903 15.713 17.025 1112 HD2 HIS 68 2HD HIS 68 -26.811 15.436 19.799 1113 HE1 HIS 68 1HE HIS 68 -28.569 13.680 16.365 1114 HE2 HIS 68 2HE HIS 68 -26.843 13.411 18.185 1115 HB2 HIS 68 2HB HIS 68 -28.836 17.237 20.306 1116 HB3 HIS 68 1HB HIS 68 -30.230 17.125 19.240 1117 H HIS 69 H HIS 69 -29.681 20.368 17.130 1118 HA HIS 69 HA HIS 69 -30.995 21.773 19.352 1119 HD1 HIS 69 1HD HIS 69 -32.353 24.708 17.054 1120 HD2 HIS 69 2HD HIS 69 -29.440 24.544 20.010 1121 HE1 HIS 69 1HE HIS 69 -32.707 26.756 18.463 1122 HE2 HIS 69 2HE HIS 69 -30.789 26.744 20.099 1123 HB2 HIS 69 2HB HIS 69 -29.213 22.847 17.773 1124 HB3 HIS 69 1HB HIS 69 -30.541 22.940 16.622 1125 H HIS 70 H HIS 70 -33.158 21.762 19.454 1126 HA HIS 70 HA HIS 70 -34.582 20.471 17.250 1127 HD1 HIS 70 1HD HIS 70 -38.119 20.253 18.349 1128 HD2 HIS 70 2HD HIS 70 -34.988 17.542 18.773 1129 HE1 HIS 70 1HE HIS 70 -39.033 18.030 17.615 1130 HE2 HIS 70 2HE HIS 70 -37.084 16.435 17.743 1131 HB2 HIS 70 2HB HIS 70 -34.737 20.083 19.949 1132 HB3 HIS 70 1HB HIS 70 -36.095 21.173 19.677 1133 H HIS 71 H HIS 71 -35.787 21.573 15.877 1134 HA HIS 71 HA HIS 71 -36.942 24.134 16.687 1135 HD1 HIS 71 1HD HIS 71 -36.201 24.167 12.270 1136 HD2 HIS 71 2HD HIS 71 -33.200 22.661 14.729 1137 HE1 HIS 71 1HE HIS 71 -34.703 22.811 10.768 1138 HE2 HIS 71 2HE HIS 71 -32.796 22.071 12.242 1139 HB2 HIS 71 2HB HIS 71 -36.178 25.214 14.580 1140 HB3 HIS 71 1HB HIS 71 -34.851 24.805 15.657
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