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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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12165 |
1sm7 ![]() ![]() |
6137 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLN 1 1H GLN 1 -7.746 -10.935 5.292 2 2H GLN 1 2H GLN 1 -7.539 -11.549 3.768 3 3H GLN 1 3H GLN 1 -8.725 -10.428 4.056 4 HA GLN 1 HA GLN 1 -9.859 -11.940 5.483 5 1HB GLN 1 1HB GLN 1 -9.672 -12.090 2.678 6 2HB GLN 1 2HB GLN 1 -9.738 -13.738 3.270 7 1HG GLN 1 1HG GLN 1 -11.972 -13.371 3.251 8 2HG GLN 1 2HG GLN 1 -11.651 -12.614 4.797 9 1HE2 GLN 1 2HE2 GLN 1 -11.518 -11.834 1.325 10 2HE2 GLN 1 1HE2 GLN 1 -12.162 -10.214 1.474 11 HA PRO 2 HA PRO 2 -7.230 -15.854 5.392 12 1HB PRO 2 1HB PRO 2 -4.794 -15.815 4.115 13 2HB PRO 2 2HB PRO 2 -6.283 -16.429 3.426 14 1HG PRO 2 1HG PRO 2 -4.865 -13.923 2.832 15 2HG PRO 2 2HG PRO 2 -6.083 -14.751 1.882 16 1HD PRO 2 1HD PRO 2 -6.447 -12.457 3.511 17 2HD PRO 2 2HD PRO 2 -7.684 -13.356 2.658 18 H GLN 3 H GLN 3 -6.852 -15.750 7.519 19 HA GLN 3 HA GLN 3 -5.189 -13.809 8.734 20 1HB GLN 3 1HB GLN 3 -6.961 -15.642 9.658 21 2HB GLN 3 2HB GLN 3 -5.441 -16.380 10.122 22 1HG GLN 3 1HG GLN 3 -5.361 -15.000 11.878 23 2HG GLN 3 2HG GLN 3 -5.204 -13.656 10.765 24 1HE2 GLN 3 2HE2 GLN 3 -7.090 -12.584 10.015 25 2HE2 GLN 3 1HE2 GLN 3 -8.545 -12.571 10.986 26 H LYS 4 H LYS 4 -4.525 -17.004 7.393 27 HA LYS 4 HA LYS 4 -2.114 -17.654 8.485 28 1HB LYS 4 1HB LYS 4 -1.695 -18.915 6.580 29 2HB LYS 4 2HB LYS 4 -3.440 -18.759 6.598 30 1HG LYS 4 1HG LYS 4 -2.682 -16.551 5.158 31 2HG LYS 4 2HG LYS 4 -1.496 -17.740 4.661 32 1HD LYS 4 1HD LYS 4 -4.457 -18.272 4.658 33 2HD LYS 4 2HD LYS 4 -3.592 -17.665 3.260 34 1HE LYS 4 1HE LYS 4 -2.895 -19.726 2.744 35 2HE LYS 4 2HE LYS 4 -2.202 -19.930 4.341 36 1HZ LYS 4 1HZ LYS 4 -4.354 -20.571 5.138 37 2HZ LYS 4 2HZ LYS 4 -5.008 -20.378 3.628 38 3HZ LYS 4 3HZ LYS 4 -3.881 -21.560 3.897 39 H CYS 5 H CYS 5 -2.764 -14.963 6.319 40 HA CYS 5 HA CYS 5 0.032 -14.094 6.676 41 1HB CYS 5 1HB CYS 5 -1.544 -14.375 4.376 42 2HB CYS 5 2HB CYS 5 -1.339 -12.660 4.662 43 H GLN 6 H GLN 6 -3.401 -13.152 6.746 44 HA GLN 6 HA GLN 6 -2.975 -10.471 7.489 45 1HB GLN 6 1HB GLN 6 -5.210 -12.324 7.366 46 2HB GLN 6 2HB GLN 6 -5.357 -11.132 8.642 47 1HG GLN 6 1HG GLN 6 -4.424 -9.809 6.322 48 2HG GLN 6 2HG GLN 6 -5.789 -10.805 5.857 49 1HE2 GLN 6 2HE2 GLN 6 -7.089 -9.048 5.422 50 2HE2 GLN 6 1HE2 GLN 6 -7.792 -8.084 6.701 51 H ARG 7 H ARG 7 -2.299 -13.275 9.175 52 HA ARG 7 HA ARG 7 -2.452 -11.967 11.800 53 1HB ARG 7 1HB ARG 7 -3.332 -14.448 11.090 54 2HB ARG 7 2HB ARG 7 -1.728 -14.798 11.702 55 1HG ARG 7 1HG ARG 7 -2.337 -13.397 13.724 56 2HG ARG 7 2HG ARG 7 -3.986 -13.424 13.134 57 1HD ARG 7 1HD ARG 7 -4.240 -15.689 13.543 58 2HD ARG 7 2HD ARG 7 -2.520 -16.007 13.425 59 HE ARG 7 HE ARG 7 -3.997 -15.138 15.797 60 1HH1 ARG 7 1HH2 ARG 7 -0.846 -15.461 14.295 61 2HH1 ARG 7 2HH2 ARG 7 0.008 -15.390 15.819 62 1HH2 ARG 7 1HH1 ARG 7 -2.870 -15.039 17.742 63 2HH2 ARG 7 2HH1 ARG 7 -1.124 -15.154 17.749 64 H GLU 8 H GLU 8 -0.347 -12.721 9.291 65 HA GLU 8 HA GLU 8 1.966 -12.673 11.131 66 1HB GLU 8 1HB GLU 8 1.362 -14.313 8.870 67 2HB GLU 8 2HB GLU 8 2.823 -13.397 8.565 68 1HG GLU 8 1HG GLU 8 2.631 -14.579 11.256 69 2HG GLU 8 2HG GLU 8 2.765 -15.734 9.945 70 H PHE 9 H PHE 9 0.301 -11.028 8.635 71 HA PHE 9 HA PHE 9 2.528 -9.358 7.823 72 1HB PHE 9 1HB PHE 9 1.063 -9.760 6.086 73 2HB PHE 9 2HB PHE 9 -0.342 -9.712 7.133 74 HD1 PHE 9 1HD PHE 9 -0.969 -7.372 8.140 75 HD2 PHE 9 2HD PHE 9 1.500 -7.961 4.678 76 HE1 PHE 9 1HE PHE 9 -1.308 -5.005 7.514 77 HE2 PHE 9 2HE PHE 9 1.035 -5.633 3.980 78 HZ PHE 9 HZ PHE 9 -0.339 -4.140 5.398 79 H GLN 10 H GLN 10 -0.396 -9.236 9.827 80 HA GLN 10 HA GLN 10 0.214 -6.451 10.542 81 1HB GLN 10 1HB GLN 10 -2.047 -6.613 10.021 82 2HB GLN 10 2HB GLN 10 -2.213 -8.171 10.803 83 1HG GLN 10 1HG GLN 10 -2.065 -7.182 12.978 84 2HG GLN 10 2HG GLN 10 -1.615 -5.628 12.302 85 1HE2 GLN 10 2HE2 GLN 10 -4.151 -7.751 13.182 86 2HE2 GLN 10 1HE2 GLN 10 -5.489 -6.733 12.701 87 H GLN 11 H GLN 11 0.768 -9.615 11.587 88 HA GLN 11 HA GLN 11 0.506 -9.552 14.321 89 1HB GLN 11 1HB GLN 11 1.660 -11.237 12.525 90 2HB GLN 11 2HB GLN 11 3.049 -10.672 13.434 91 1HG GLN 11 1HG GLN 11 0.788 -11.313 15.145 92 2HG GLN 11 2HG GLN 11 1.319 -12.688 14.198 93 1HE2 GLN 11 2HE2 GLN 11 1.454 -12.124 17.094 94 2HE2 GLN 11 1HE2 GLN 11 3.141 -12.307 17.521 95 H GLU 12 H GLU 12 3.318 -8.444 12.445 96 HA GLU 12 HA GLU 12 3.873 -6.223 14.041 97 1HB GLU 12 1HB GLU 12 6.074 -7.288 15.051 98 2HB GLU 12 2HB GLU 12 4.562 -7.254 15.935 99 1HG GLU 12 1HG GLU 12 4.200 -9.503 15.679 100 2HG GLU 12 2HG GLU 12 5.077 -9.580 14.165 101 H GLN 13 H GLN 13 3.824 -7.103 11.325 102 HA GLN 13 HA GLN 13 6.367 -5.985 10.509 103 1HB GLN 13 1HB GLN 13 5.792 -8.855 10.226 104 2HB GLN 13 2HB GLN 13 6.442 -8.055 8.809 105 1HG GLN 13 1HG GLN 13 8.192 -7.077 10.427 106 2HG GLN 13 2HG GLN 13 7.669 -8.340 11.524 107 1HE2 GLN 13 2HE2 GLN 13 9.652 -9.389 11.503 108 2HE2 GLN 13 1HE2 GLN 13 10.235 -10.264 10.105 109 H HIS 14 H HIS 14 4.035 -4.745 10.317 110 HA HIS 14 HA HIS 14 2.508 -5.359 8.006 111 1HB HIS 14 1HB HIS 14 2.677 -2.595 9.049 112 2HB HIS 14 2HB HIS 14 1.286 -3.490 8.471 113 HD1 HIS 14 1HD HIS 14 1.025 -1.950 11.097 114 HD2 HIS 14 2HD HIS 14 2.308 -5.941 10.808 115 HE1 HIS 14 1HE HIS 14 0.551 -3.028 13.377 116 HE2 HIS 14 2HE HIS 14 1.419 -5.425 13.196 117 H LEU 15 H LEU 15 2.564 -2.554 6.985 118 HA LEU 15 HA LEU 15 5.120 -2.716 5.511 119 1HB LEU 15 1HB LEU 15 2.580 -1.757 4.280 120 2HB LEU 15 2HB LEU 15 4.077 -2.203 3.488 121 HG LEU 15 HG LEU 15 1.988 -3.970 4.658 122 1HD1 LEU 15 1HD1 LEU 15 1.637 -3.282 2.358 123 2HD1 LEU 15 2HD1 LEU 15 3.288 -3.852 1.931 124 3HD1 LEU 15 3HD1 LEU 15 2.032 -5.034 2.440 125 1HD2 LEU 15 1HD2 LEU 15 4.762 -4.796 3.847 126 2HD2 LEU 15 2HD2 LEU 15 4.076 -4.818 5.509 127 3HD2 LEU 15 3HD2 LEU 15 3.405 -5.907 4.245 128 H ARG 16 H ARG 16 5.614 -0.578 4.373 129 HA ARG 16 HA ARG 16 4.661 1.764 5.833 130 1HB ARG 16 1HB ARG 16 7.406 0.639 6.132 131 2HB ARG 16 2HB ARG 16 7.183 2.376 6.137 132 1HG ARG 16 1HG ARG 16 5.228 1.184 7.844 133 2HG ARG 16 2HG ARG 16 6.812 0.580 8.281 134 1HD ARG 16 1HD ARG 16 6.550 3.494 7.797 135 2HD ARG 16 2HD ARG 16 5.853 2.854 9.272 136 HE ARG 16 HE ARG 16 8.577 1.960 8.790 137 1HH1 ARG 16 1HH2 ARG 16 6.614 4.492 10.204 138 2HH1 ARG 16 2HH2 ARG 16 7.875 4.998 11.306 139 1HH2 ARG 16 1HH1 ARG 16 10.175 2.625 10.215 140 2HH2 ARG 16 2HH1 ARG 16 9.869 3.952 11.312 141 H ALA 17 H ALA 17 7.600 1.007 3.958 142 HA ALA 17 HA ALA 17 7.525 3.248 2.361 143 1HB ALA 17 1HB ALA 17 9.460 1.760 2.505 144 2HB ALA 17 2HB ALA 17 8.533 0.470 1.664 145 3HB ALA 17 3HB ALA 17 8.963 1.983 0.792 146 H CYS 18 H CYS 18 5.362 0.583 2.307 147 HA CYS 18 HA CYS 18 4.490 1.045 -0.424 148 1HB CYS 18 1HB CYS 18 4.568 -1.172 1.144 149 2HB CYS 18 2HB CYS 18 2.891 -0.681 1.280 150 H GLN 19 H GLN 19 3.234 1.209 2.897 151 HA GLN 19 HA GLN 19 1.032 2.875 1.966 152 1HB GLN 19 1HB GLN 19 0.193 2.657 4.202 153 2HB GLN 19 2HB GLN 19 0.607 1.088 3.544 154 1HG GLN 19 1HG GLN 19 1.716 0.748 5.445 155 2HG GLN 19 2HG GLN 19 2.917 1.855 4.809 156 1HE2 GLN 19 2HE2 GLN 19 -0.381 2.308 6.092 157 2HE2 GLN 19 1HE2 GLN 19 0.059 3.465 7.329 158 H GLN 20 H GLN 20 3.769 3.914 1.789 159 HA GLN 20 HA GLN 20 3.457 6.258 3.542 160 1HB GLN 20 1HB GLN 20 5.965 4.670 3.105 161 2HB GLN 20 2HB GLN 20 5.981 6.330 3.664 162 1HG GLN 20 1HG GLN 20 4.206 4.455 5.113 163 2HG GLN 20 2HG GLN 20 5.929 4.237 5.338 164 1HE2 GLN 20 2HE2 GLN 20 4.034 4.971 7.342 165 2HE2 GLN 20 1HE2 GLN 20 4.465 6.572 7.899 166 H TRP 21 H TRP 21 4.849 4.780 0.638 167 HA TRP 21 HA TRP 21 5.739 7.170 -0.566 168 1HB TRP 21 1HB TRP 21 5.951 5.955 -2.522 169 2HB TRP 21 2HB TRP 21 6.174 4.770 -1.251 170 HD1 TRP 21 HD TRP 21 4.550 2.695 -1.273 171 HE1 TRP 21 1HE TRP 21 2.593 1.916 -2.758 172 HE3 TRP 21 3HE TRP 21 4.013 6.975 -3.966 173 HZ2 TRP 21 2HZ TRP 21 1.016 3.048 -4.880 174 HZ3 TRP 21 3HZ TRP 21 2.185 7.118 -5.639 175 HH2 TRP 21 HH TRP 21 0.787 5.159 -6.177 176 H ILE 22 H ILE 22 2.584 5.662 -0.297 177 HA ILE 22 HA ILE 22 1.285 7.330 -2.229 178 HB ILE 22 HB ILE 22 0.104 5.803 0.071 179 1HG1 ILE 22 1HG1 ILE 22 0.251 4.812 -2.743 180 2HG1 ILE 22 2HG1 ILE 22 1.568 4.531 -1.621 181 1HG2 ILE 22 1HG2 ILE 22 -1.437 7.461 -0.867 182 2HG2 ILE 22 2HG2 ILE 22 -1.132 6.805 -2.514 183 3HG2 ILE 22 3HG2 ILE 22 -1.963 5.792 -1.283 184 1HD1 ILE 22 1HD1 ILE 22 0.026 3.410 -0.057 185 2HD1 ILE 22 2HD1 ILE 22 -1.326 3.697 -1.207 186 3HD1 ILE 22 3HD1 ILE 22 0.030 2.607 -1.665 187 H ARG 23 H ARG 23 2.020 7.537 1.204 188 HA ARG 23 HA ARG 23 0.410 9.811 1.758 189 1HB ARG 23 1HB ARG 23 2.671 8.446 3.083 190 2HB ARG 23 2HB ARG 23 2.308 10.089 3.571 191 1HG ARG 23 1HG ARG 23 0.896 9.006 4.995 192 2HG ARG 23 2HG ARG 23 -0.169 9.101 3.606 193 1HD ARG 23 1HD ARG 23 -0.234 6.874 3.444 194 2HD ARG 23 2HD ARG 23 1.514 6.787 3.390 195 HE ARG 23 HE ARG 23 -0.114 6.086 5.608 196 1HH1 ARG 23 1HH2 ARG 23 2.735 7.959 4.981 197 2HH1 ARG 23 2HH2 ARG 23 3.405 7.686 6.574 198 1HH2 ARG 23 1HH1 ARG 23 0.737 5.706 7.637 199 2HH2 ARG 23 2HH1 ARG 23 2.277 6.412 8.074 200 H GLN 24 H GLN 24 3.337 9.426 0.014 201 HA GLN 24 HA GLN 24 4.210 12.160 0.377 202 1HB GLN 24 1HB GLN 24 5.193 9.756 -0.967 203 2HB GLN 24 2HB GLN 24 5.583 11.263 -1.770 204 1HG GLN 24 1HG GLN 24 7.125 11.761 -0.236 205 2HG GLN 24 2HG GLN 24 5.987 11.495 1.069 206 1HE2 GLN 24 2HE2 GLN 24 7.738 10.622 2.315 207 2HE2 GLN 24 1HE2 GLN 24 8.280 8.982 2.030 208 H GLN 25 H GLN 25 1.868 10.582 -1.500 209 HA GLN 25 HA GLN 25 1.983 12.279 -3.799 210 1HB GLN 25 1HB GLN 25 0.460 10.039 -2.927 211 2HB GLN 25 2HB GLN 25 -0.636 11.298 -3.462 212 1HG GLN 25 1HG GLN 25 1.742 10.395 -5.064 213 2HG GLN 25 2HG GLN 25 0.143 9.708 -5.258 214 1HE2 GLN 25 2HE2 GLN 25 0.846 10.582 -7.516 215 2HE2 GLN 25 1HE2 GLN 25 0.213 12.169 -7.894 216 H LEU 26 H LEU 26 1.098 12.853 -0.609 217 HA LEU 26 HA LEU 26 -0.612 15.109 -1.422 218 1HB LEU 26 1HB LEU 26 -0.663 14.236 1.374 219 2HB LEU 26 2HB LEU 26 -1.961 14.802 0.340 220 HG LEU 26 HG LEU 26 -1.463 12.411 -0.781 221 1HD1 LEU 26 1HD1 LEU 26 0.255 11.817 0.846 222 2HD1 LEU 26 2HD1 LEU 26 -0.925 12.070 2.178 223 3HD1 LEU 26 3HD1 LEU 26 -1.175 10.737 0.997 224 1HD2 LEU 26 1HD2 LEU 26 -3.270 12.922 1.600 225 2HD2 LEU 26 2HD2 LEU 26 -3.666 13.255 -0.120 226 3HD2 LEU 26 3HD2 LEU 26 -3.431 11.562 0.436 227 H ALA 27 H ALA 27 -0.515 16.602 0.857 228 HA ALA 27 HA ALA 27 2.204 17.663 0.696 229 1HB ALA 27 1HB ALA 27 0.323 19.189 0.416 230 2HB ALA 27 2HB ALA 27 -0.306 18.710 2.030 231 3HB ALA 27 3HB ALA 27 1.252 19.598 1.900 232 H GLY 28 H GLY 28 1.254 15.122 2.197 233 1HA GLY 28 1HA GLY 28 1.907 15.724 4.959 234 2HA GLY 28 2HA GLY 28 1.565 14.150 4.270 235 H SER 29 H SER 29 3.847 15.874 2.451 236 HA SER 29 HA SER 29 6.150 14.942 3.978 237 1HB SER 29 1HB SER 29 5.784 12.986 2.755 238 2HB SER 29 2HB SER 29 5.376 13.875 1.302 239 HG SER 29 HG SER 29 7.460 12.948 1.205 240 HA PRO 30 HA PRO 30 7.849 18.530 2.252 241 1HB PRO 30 1HB PRO 30 10.528 18.034 2.614 242 2HB PRO 30 2HB PRO 30 9.444 18.636 3.851 243 1HG PRO 30 1HG PRO 30 10.587 15.944 3.549 244 2HG PRO 30 2HG PRO 30 9.878 16.684 4.970 245 1HD PRO 30 1HD PRO 30 8.666 14.780 3.235 246 2HD PRO 30 2HD PRO 30 7.923 15.598 4.595 247 H PHE 31 H PHE 31 9.904 19.154 0.792 248 HA PHE 31 HA PHE 31 10.365 17.232 -1.344 249 1HB PHE 31 1HB PHE 31 8.966 19.788 -2.029 250 2HB PHE 31 2HB PHE 31 9.211 18.378 -3.039 251 HD1 PHE 31 1HD PHE 31 7.853 16.309 -2.661 252 HD2 PHE 31 2HD PHE 31 7.081 19.980 -0.546 253 HE1 PHE 31 1HE PHE 31 5.655 15.418 -1.917 254 HE2 PHE 31 2HE PHE 31 4.805 19.166 0.022 255 HZ PHE 31 HZ PHE 31 4.088 16.881 -0.660 256 H SER 32 H SER 32 12.045 17.830 -2.722 257 HA SER 32 HA SER 32 13.301 20.450 -2.178 258 1HB SER 32 1HB SER 32 14.343 17.901 -1.425 259 2HB SER 32 2HB SER 32 15.372 18.603 -2.656 260 HG SER 32 HG SER 32 15.984 19.232 -0.540 261 H GLU 33 H GLU 33 14.408 17.680 -4.081 262 HA GLU 33 HA GLU 33 14.604 19.403 -6.413 263 1HB GLU 33 1HB GLU 33 15.867 16.983 -5.503 264 2HB GLU 33 2HB GLU 33 15.322 16.828 -7.161 265 1HG GLU 33 1HG GLU 33 16.907 18.217 -7.916 266 2HG GLU 33 2HG GLU 33 16.595 19.385 -6.648 267 H ASN 34 H ASN 34 14.180 17.739 -8.521 268 HA ASN 34 HA ASN 34 11.270 17.494 -8.506 269 1HB ASN 34 1HB ASN 34 13.416 17.528 -10.569 270 2HB ASN 34 2HB ASN 34 11.872 16.799 -10.963 271 1HD2 ASN 34 2HD2 ASN 34 13.378 19.327 -11.762 272 2HD2 ASN 34 1HD2 ASN 34 12.175 20.588 -11.612 273 H GLN 35 H GLN 35 10.140 15.620 -8.972 274 HA GLN 35 HA GLN 35 11.275 13.176 -9.707 275 1HB GLN 35 1HB GLN 35 12.111 13.625 -7.216 276 2HB GLN 35 2HB GLN 35 10.557 12.899 -6.861 277 1HG GLN 35 1HG GLN 35 12.155 11.139 -6.906 278 2HG GLN 35 2HG GLN 35 11.199 11.003 -8.368 279 1HE2 GLN 35 2HE2 GLN 35 12.206 10.800 -10.225 280 2HE2 GLN 35 1HE2 GLN 35 13.886 11.186 -10.526 281 H TRP 36 H TRP 36 9.750 11.374 -9.576 282 HA TRP 36 HA TRP 36 7.200 12.013 -10.388 283 1HB TRP 36 1HB TRP 36 7.860 9.801 -10.681 284 2HB TRP 36 2HB TRP 36 8.275 9.608 -8.990 285 HD1 TRP 36 HD TRP 36 5.910 9.724 -7.294 286 HE1 TRP 36 1HE TRP 36 3.645 8.545 -7.668 287 HE3 TRP 36 3HE TRP 36 6.398 8.880 -12.301 288 HZ2 TRP 36 2HZ TRP 36 2.244 7.388 -9.883 289 HZ3 TRP 36 3HZ TRP 36 4.566 7.713 -13.503 290 HH2 TRP 36 HH TRP 36 2.522 6.977 -12.332 291 H GLY 37 H GLY 37 8.459 11.820 -7.108 292 1HA GLY 37 1HA GLY 37 6.464 13.598 -6.145 293 2HA GLY 37 2HA GLY 37 6.137 11.965 -5.600 294 HA PRO 38 HA PRO 38 9.031 12.531 -2.449 295 1HB PRO 38 1HB PRO 38 9.849 9.959 -1.962 296 2HB PRO 38 2HB PRO 38 8.363 10.677 -1.371 297 1HG PRO 38 1HG PRO 38 8.737 8.708 -3.519 298 2HG PRO 38 2HG PRO 38 7.279 9.109 -2.635 299 1HD PRO 38 1HD PRO 38 7.980 9.947 -5.264 300 2HD PRO 38 2HD PRO 38 6.575 10.435 -4.339 301 H GLN 39 H GLN 39 10.412 13.741 -3.961 302 HA GLN 39 HA GLN 39 12.486 12.497 -5.406 303 1HB GLN 39 1HB GLN 39 11.732 14.857 -5.680 304 2HB GLN 39 2HB GLN 39 12.533 15.244 -4.171 305 1HG GLN 39 1HG GLN 39 13.986 13.914 -6.438 306 2HG GLN 39 2HG GLN 39 13.846 15.656 -6.333 307 1HE2 GLN 39 2HE2 GLN 39 16.241 14.041 -6.293 308 2HE2 GLN 39 1HE2 GLN 39 17.032 14.348 -4.763 309 H GLN 40 H GLN 40 12.199 13.448 -2.037 310 HA GLN 40 HA GLN 40 14.993 12.831 -1.514 311 1HB GLN 40 1HB GLN 40 13.542 14.637 -0.385 312 2HB GLN 40 2HB GLN 40 12.922 13.313 0.579 313 1HG GLN 40 1HG GLN 40 15.840 13.343 0.342 314 2HG GLN 40 2HG GLN 40 15.184 14.749 1.154 315 1HE2 GLN 40 2HE2 GLN 40 16.808 13.142 2.567 316 2HE2 GLN 40 1HE2 GLN 40 15.899 12.234 3.754 317 H GLY 41 H GLY 41 12.244 11.030 -1.975 318 1HA GLY 41 1HA GLY 41 13.492 8.687 -0.746 319 2HA GLY 41 2HA GLY 41 11.870 9.095 -0.222 320 HA PRO 42 HA PRO 42 11.309 8.047 -4.763 321 1HB PRO 42 1HB PRO 42 13.496 7.412 -6.317 322 2HB PRO 42 2HB PRO 42 12.743 8.992 -6.238 323 1HG PRO 42 1HG PRO 42 15.287 8.099 -5.065 324 2HG PRO 42 2HG PRO 42 14.726 9.732 -5.361 325 1HD PRO 42 1HD PRO 42 14.785 8.357 -2.869 326 2HD PRO 42 2HD PRO 42 14.124 9.949 -3.185 327 H SER 43 H SER 43 13.886 6.362 -3.149 328 HA SER 43 HA SER 43 13.311 3.795 -4.298 329 1HB SER 43 1HB SER 43 14.682 3.941 -1.695 330 2HB SER 43 2HB SER 43 15.103 3.041 -3.138 331 HG SER 43 HG SER 43 16.580 4.751 -2.709 332 H LEU 44 H LEU 44 10.927 4.056 -3.924 333 HA LEU 44 HA LEU 44 10.245 2.913 -1.290 334 1HB LEU 44 1HB LEU 44 9.194 5.322 -2.603 335 2HB LEU 44 2HB LEU 44 7.998 4.242 -1.916 336 HG LEU 44 HG LEU 44 10.266 4.880 -0.167 337 1HD1 LEU 44 1HD1 LEU 44 9.961 7.056 -1.216 338 2HD1 LEU 44 2HD1 LEU 44 8.202 6.976 -0.854 339 3HD1 LEU 44 3HD1 LEU 44 9.393 7.073 0.490 340 1HD2 LEU 44 1HD2 LEU 44 7.271 4.895 0.233 341 2HD2 LEU 44 2HD2 LEU 44 8.387 3.537 0.611 342 3HD2 LEU 44 3HD2 LEU 44 8.506 5.081 1.525 343 H ARG 45 H ARG 45 9.387 3.348 -4.735 344 HA ARG 45 HA ARG 45 7.356 1.393 -4.798 345 1HB ARG 45 1HB ARG 45 9.249 2.359 -6.923 346 2HB ARG 45 2HB ARG 45 7.892 1.298 -7.234 347 1HG ARG 45 1HG ARG 45 7.835 4.134 -6.260 348 2HG ARG 45 2HG ARG 45 7.135 3.484 -7.728 349 1HD ARG 45 1HD ARG 45 5.797 1.993 -5.957 350 2HD ARG 45 2HD ARG 45 6.107 3.389 -4.944 351 HE ARG 45 HE ARG 45 4.186 3.216 -7.041 352 1HH1 ARG 45 1HH2 ARG 45 6.492 5.445 -5.619 353 2HH1 ARG 45 2HH2 ARG 45 5.640 6.858 -6.198 354 1HH2 ARG 45 1HH1 ARG 45 3.135 5.042 -7.803 355 2HH2 ARG 45 2HH1 ARG 45 3.757 6.631 -7.422 356 H GLU 46 H GLU 46 10.664 1.069 -6.114 357 HA GLU 46 HA GLU 46 10.559 -1.714 -6.392 358 1HB GLU 46 1HB GLU 46 12.900 0.115 -5.914 359 2HB GLU 46 2HB GLU 46 13.061 -1.577 -6.339 360 1HG GLU 46 1HG GLU 46 12.038 -1.237 -8.462 361 2HG GLU 46 2HG GLU 46 11.488 0.365 -8.016 362 H GLN 47 H GLN 47 10.864 0.219 -3.548 363 HA GLN 47 HA GLN 47 11.953 -1.912 -1.926 364 1HB GLN 47 1HB GLN 47 11.517 0.910 -1.674 365 2HB GLN 47 2HB GLN 47 10.869 0.062 -0.285 366 1HG GLN 47 1HG GLN 47 13.059 -1.154 -0.104 367 2HG GLN 47 2HG GLN 47 13.683 -0.105 -1.361 368 1HE2 GLN 47 2HE2 GLN 47 11.689 0.290 1.579 369 2HE2 GLN 47 1HE2 GLN 47 12.621 1.606 2.257 370 H CYS 48 H CYS 48 8.814 -0.209 -2.091 371 HA CYS 48 HA CYS 48 7.501 -1.932 -0.289 372 1HB CYS 48 1HB CYS 48 6.150 -0.197 -0.389 373 2HB CYS 48 2HB CYS 48 6.845 0.345 -1.903 374 H CYS 49 H CYS 49 7.709 -1.779 -3.829 375 HA CYS 49 HA CYS 49 5.982 -3.801 -4.522 376 1HB CYS 49 1HB CYS 49 8.660 -3.248 -5.754 377 2HB CYS 49 2HB CYS 49 7.350 -4.144 -6.495 378 H ASN 50 H ASN 50 9.059 -3.965 -2.881 379 HA ASN 50 HA ASN 50 8.992 -6.901 -2.954 380 1HB ASN 50 1HB ASN 50 11.036 -4.854 -2.723 381 2HB ASN 50 2HB ASN 50 11.169 -6.068 -1.467 382 1HD2 ASN 50 2HD2 ASN 50 10.791 -5.630 -4.957 383 2HD2 ASN 50 1HD2 ASN 50 11.659 -7.073 -5.429 384 H GLU 51 H GLU 51 8.943 -4.146 -0.722 385 HA GLU 51 HA GLU 51 8.903 -5.654 1.652 386 1HB GLU 51 1HB GLU 51 9.061 -3.663 2.610 387 2HB GLU 51 2HB GLU 51 9.050 -2.967 1.002 388 1HG GLU 51 1HG GLU 51 6.557 -2.905 1.118 389 2HG GLU 51 2HG GLU 51 6.668 -3.430 2.787 390 H LEU 52 H LEU 52 6.615 -5.342 -0.780 391 HA LEU 52 HA LEU 52 4.396 -5.908 1.043 392 1HB LEU 52 1HB LEU 52 3.089 -4.719 -0.275 393 2HB LEU 52 2HB LEU 52 4.576 -4.108 -0.972 394 HG LEU 52 HG LEU 52 3.235 -4.650 -2.770 395 1HD1 LEU 52 1HD1 LEU 52 5.486 -5.444 -3.094 396 2HD1 LEU 52 2HD1 LEU 52 5.038 -7.024 -2.362 397 3HD1 LEU 52 3HD1 LEU 52 4.303 -6.516 -3.922 398 1HD2 LEU 52 1HD2 LEU 52 2.596 -7.272 -1.434 399 2HD2 LEU 52 2HD2 LEU 52 1.502 -5.858 -1.618 400 3HD2 LEU 52 3HD2 LEU 52 2.044 -6.770 -3.069 401 H TYR 53 H TYR 53 6.600 -7.304 -1.153 402 HA TYR 53 HA TYR 53 4.851 -9.602 -1.732 403 1HB TYR 53 1HB TYR 53 6.089 -8.348 -3.538 404 2HB TYR 53 2HB TYR 53 7.578 -8.894 -2.794 405 HD1 TYR 53 1HD TYR 53 8.629 -10.649 -3.875 406 HD2 TYR 53 2HD TYR 53 4.332 -10.453 -3.850 407 HE1 TYR 53 1HE TYR 53 8.524 -12.760 -5.198 408 HE2 TYR 53 2HE TYR 53 4.206 -12.545 -5.186 409 HH TYR 53 HH TYR 53 5.385 -14.170 -6.152 410 H GLN 54 H GLN 54 7.732 -8.534 -0.077 411 HA GLN 54 HA GLN 54 9.065 -10.905 0.386 412 1HB GLN 54 1HB GLN 54 9.905 -9.810 2.449 413 2HB GLN 54 2HB GLN 54 10.043 -8.807 1.019 414 1HG GLN 54 1HG GLN 54 8.109 -7.529 1.655 415 2HG GLN 54 2HG GLN 54 7.778 -8.613 2.991 416 1HE2 GLN 54 2HE2 GLN 54 7.868 -7.066 4.574 417 2HE2 GLN 54 1HE2 GLN 54 9.350 -6.254 5.025 418 H GLU 55 H GLU 55 6.075 -9.714 1.708 419 HA GLU 55 HA GLU 55 5.995 -11.721 3.789 420 1HB GLU 55 1HB GLU 55 3.783 -9.932 2.881 421 2HB GLU 55 2HB GLU 55 3.931 -10.766 4.415 422 1HG GLU 55 1HG GLU 55 6.146 -9.391 4.605 423 2HG GLU 55 2HG GLU 55 5.358 -8.348 3.439 424 H ASP 56 H ASP 56 6.131 -12.418 0.845 425 HA ASP 56 HA ASP 56 5.406 -14.190 -0.381 426 1HB ASP 56 1HB ASP 56 4.680 -15.012 2.015 427 2HB ASP 56 2HB ASP 56 3.077 -14.662 1.401 428 H GLN 57 H GLN 57 2.991 -15.021 -1.200 429 HA GLN 57 HA GLN 57 1.864 -12.612 -2.406 430 1HB GLN 57 1HB GLN 57 2.398 -15.083 -3.402 431 2HB GLN 57 2HB GLN 57 0.683 -15.202 -3.073 432 1HG GLN 57 1HG GLN 57 1.804 -12.825 -4.512 433 2HG GLN 57 2HG GLN 57 1.425 -14.300 -5.379 434 1HE2 GLN 57 2HE2 GLN 57 0.222 -11.371 -4.349 435 2HE2 GLN 57 1HE2 GLN 57 -1.486 -11.720 -4.492 436 H VAL 58 H VAL 58 1.151 -14.908 0.049 437 HA VAL 58 HA VAL 58 -1.685 -14.438 0.131 438 HB VAL 58 HB VAL 58 -0.442 -15.411 2.571 439 1HG1 VAL 58 1HG1 VAL 58 -2.843 -15.608 2.113 440 2HG1 VAL 58 2HG1 VAL 58 -2.478 -16.577 0.643 441 3HG1 VAL 58 3HG1 VAL 58 -2.085 -17.232 2.270 442 1HG2 VAL 58 1HG2 VAL 58 -0.033 -16.964 -0.006 443 2HG2 VAL 58 2HG2 VAL 58 1.263 -16.235 1.004 444 3HG2 VAL 58 3HG2 VAL 58 0.270 -17.587 1.653 445 H CYS 59 H CYS 59 0.866 -12.471 0.727 446 HA CYS 59 HA CYS 59 -0.600 -10.970 2.801 447 1HB CYS 59 1HB CYS 59 2.298 -11.259 2.240 448 2HB CYS 59 2HB CYS 59 1.665 -9.892 3.132 449 H VAL 60 H VAL 60 0.969 -10.972 -0.328 450 HA VAL 60 HA VAL 60 1.129 -8.291 -0.923 451 HB VAL 60 HB VAL 60 0.441 -10.685 -2.525 452 1HG1 VAL 60 1HG1 VAL 60 -0.875 -8.919 -3.554 453 2HG1 VAL 60 2HG1 VAL 60 0.581 -7.864 -3.607 454 3HG1 VAL 60 3HG1 VAL 60 0.520 -9.363 -4.597 455 1HG2 VAL 60 1HG2 VAL 60 2.781 -8.782 -2.553 456 2HG2 VAL 60 2HG2 VAL 60 2.742 -10.425 -1.821 457 3HG2 VAL 60 3HG2 VAL 60 2.593 -10.231 -3.602 458 H CYS 61 H CYS 61 -1.724 -10.240 -0.482 459 HA CYS 61 HA CYS 61 -3.360 -8.142 0.149 460 1HB CYS 61 1HB CYS 61 -2.971 -8.406 -2.672 461 2HB CYS 61 2HB CYS 61 -4.649 -8.675 -2.244 462 HA PRO 62 HA PRO 62 -5.600 -7.880 -0.500 463 1HB PRO 62 1HB PRO 62 -7.731 -7.819 1.216 464 2HB PRO 62 2HB PRO 62 -7.818 -8.228 -0.485 465 1HG PRO 62 1HG PRO 62 -7.976 -10.005 1.854 466 2HG PRO 62 2HG PRO 62 -8.485 -10.310 0.206 467 1HD PRO 62 1HD PRO 62 -6.111 -11.257 1.484 468 2HD PRO 62 2HD PRO 62 -6.580 -11.492 -0.188 469 H THR 63 H THR 63 -4.250 -9.476 1.984 470 HA THR 63 HA THR 63 -4.307 -8.098 4.268 471 HB THR 63 HB THR 63 -1.565 -8.577 3.304 472 HG1 THR 63 1HG THR 63 -2.078 -10.842 3.154 473 1HG2 THR 63 1HG2 THR 63 -2.208 -8.462 5.734 474 2HG2 THR 63 2HG2 THR 63 -3.272 -9.885 5.454 475 3HG2 THR 63 3HG2 THR 63 -1.491 -10.041 5.261 476 H LEU 64 H LEU 64 -2.429 -7.020 1.415 477 HA LEU 64 HA LEU 64 -1.282 -4.738 2.410 478 1HB LEU 64 1HB LEU 64 -1.584 -5.839 -0.033 479 2HB LEU 64 2HB LEU 64 -2.576 -4.405 -0.193 480 HG LEU 64 HG LEU 64 0.136 -4.086 0.937 481 1HD1 LEU 64 1HD1 LEU 64 0.553 -5.581 -0.933 482 2HD1 LEU 64 2HD1 LEU 64 -0.394 -4.495 -2.007 483 3HD1 LEU 64 3HD1 LEU 64 1.150 -3.922 -1.288 484 1HD2 LEU 64 1HD2 LEU 64 -1.531 -2.437 -0.981 485 2HD2 LEU 64 2HD2 LEU 64 -1.355 -2.155 0.785 486 3HD2 LEU 64 3HD2 LEU 64 0.064 -1.961 -0.302 487 H LYS 65 H LYS 65 -4.652 -5.136 1.351 488 HA LYS 65 HA LYS 65 -5.694 -2.661 1.524 489 1HB LYS 65 1HB LYS 65 -7.062 -4.587 1.047 490 2HB LYS 65 2HB LYS 65 -6.885 -5.155 2.694 491 1HG LYS 65 1HG LYS 65 -7.893 -2.408 2.410 492 2HG LYS 65 2HG LYS 65 -8.968 -3.666 1.833 493 1HD LYS 65 1HD LYS 65 -7.763 -4.268 4.429 494 2HD LYS 65 2HD LYS 65 -8.768 -2.834 4.443 495 1HE LYS 65 1HE LYS 65 -10.372 -4.475 3.047 496 2HE LYS 65 2HE LYS 65 -9.524 -5.663 4.017 497 1HZ LYS 65 1HZ LYS 65 -10.141 -4.443 5.966 498 2HZ LYS 65 2HZ LYS 65 -10.941 -3.319 5.050 499 3HZ LYS 65 3HZ LYS 65 -11.488 -4.882 5.111 500 H GLN 66 H GLN 66 -4.571 -4.553 4.278 501 HA GLN 66 HA GLN 66 -5.373 -2.845 6.305 502 1HB GLN 66 1HB GLN 66 -4.575 -5.118 6.684 503 2HB GLN 66 2HB GLN 66 -2.964 -4.631 6.198 504 1HG GLN 66 1HG GLN 66 -3.365 -4.658 8.701 505 2HG GLN 66 2HG GLN 66 -2.756 -3.145 8.064 506 1HE2 GLN 66 2HE2 GLN 66 -6.046 -4.435 7.800 507 2HE2 GLN 66 1HE2 GLN 66 -6.832 -3.150 8.689 508 H ALA 67 H ALA 67 -1.994 -3.154 5.188 509 HA ALA 67 HA ALA 67 -1.090 -0.783 6.295 510 1HB ALA 67 1HB ALA 67 0.377 -2.509 5.374 511 2HB ALA 67 2HB ALA 67 -0.215 -2.123 3.721 512 3HB ALA 67 3HB ALA 67 0.737 -0.908 4.641 513 H ALA 68 H ALA 68 -3.131 -1.241 3.527 514 HA ALA 68 HA ALA 68 -2.766 1.479 2.581 515 1HB ALA 68 1HB ALA 68 -3.028 -0.344 0.974 516 2HB ALA 68 2HB ALA 68 -4.610 -0.767 1.716 517 3HB ALA 68 3HB ALA 68 -4.408 0.804 0.864 518 H LYS 69 H LYS 69 -4.928 -0.357 4.594 519 HA LYS 69 HA LYS 69 -7.054 1.546 4.623 520 1HB LYS 69 1HB LYS 69 -7.464 -0.808 5.098 521 2HB LYS 69 2HB LYS 69 -6.425 -0.713 6.507 522 1HG LYS 69 1HG LYS 69 -8.916 -0.535 6.954 523 2HG LYS 69 2HG LYS 69 -7.923 0.740 7.634 524 1HD LYS 69 1HD LYS 69 -8.596 2.291 5.974 525 2HD LYS 69 2HD LYS 69 -9.260 1.030 4.955 526 1HE LYS 69 1HE LYS 69 -11.206 0.936 6.113 527 2HE LYS 69 2HE LYS 69 -10.428 1.260 7.648 528 1HZ LYS 69 1HZ LYS 69 -10.231 3.545 7.010 529 2HZ LYS 69 2HZ LYS 69 -10.966 3.238 5.559 530 3HZ LYS 69 3HZ LYS 69 -11.816 3.068 6.969 531 H SER 70 H SER 70 -4.105 1.013 6.455 532 HA SER 70 HA SER 70 -4.800 3.283 8.203 533 1HB SER 70 1HB SER 70 -4.019 1.217 9.276 534 2HB SER 70 2HB SER 70 -2.516 1.342 8.387 535 HG SER 70 HG SER 70 -2.354 2.214 10.508 536 H VAL 71 H VAL 71 -3.781 3.098 5.236 537 HA VAL 71 HA VAL 71 -1.246 4.354 5.205 538 HB VAL 71 HB VAL 71 -2.946 3.335 3.360 539 1HG1 VAL 71 1HG1 VAL 71 -4.298 5.335 3.273 540 2HG1 VAL 71 2HG1 VAL 71 -2.832 6.312 2.908 541 3HG1 VAL 71 3HG1 VAL 71 -3.416 5.091 1.725 542 1HG2 VAL 71 1HG2 VAL 71 -0.552 5.099 2.846 543 2HG2 VAL 71 2HG2 VAL 71 -0.530 3.333 3.181 544 3HG2 VAL 71 3HG2 VAL 71 -1.284 3.953 1.671 545 H ARG 72 H ARG 72 -4.316 5.485 6.183 546 HA ARG 72 HA ARG 72 -3.197 8.112 6.692 547 1HB ARG 72 1HB ARG 72 -4.732 7.675 4.372 548 2HB ARG 72 2HB ARG 72 -5.769 8.520 5.504 549 1HG ARG 72 1HG ARG 72 -3.104 9.634 5.489 550 2HG ARG 72 2HG ARG 72 -3.806 9.648 3.885 551 1HD ARG 72 1HD ARG 72 -5.583 10.997 4.536 552 2HD ARG 72 2HD ARG 72 -5.370 10.619 6.233 553 HE ARG 72 HE ARG 72 -4.093 12.732 4.754 554 1HH1 ARG 72 1HH2 ARG 72 -3.748 10.567 7.485 555 2HH1 ARG 72 2HH2 ARG 72 -2.592 11.596 8.300 556 1HH2 ARG 72 1HH1 ARG 72 -2.585 14.026 5.797 557 2HH2 ARG 72 2HH1 ARG 72 -1.939 13.544 7.349 558 H VAL 73 H VAL 73 -6.520 6.901 6.369 559 HA VAL 73 HA VAL 73 -7.540 8.002 8.663 560 HB VAL 73 HB VAL 73 -8.672 6.707 6.780 561 1HG1 VAL 73 1HG1 VAL 73 -7.523 4.572 7.060 562 2HG1 VAL 73 2HG1 VAL 73 -8.206 4.428 8.716 563 3HG1 VAL 73 3HG1 VAL 73 -9.297 4.387 7.287 564 1HG2 VAL 73 1HG2 VAL 73 -9.627 6.371 9.637 565 2HG2 VAL 73 2HG2 VAL 73 -9.909 7.797 8.579 566 3HG2 VAL 73 3HG2 VAL 73 -10.650 6.211 8.167 567 H GLN 74 H GLN 74 -8.130 7.064 10.722 568 HA GLN 74 HA GLN 74 -6.880 4.753 11.747 569 1HB GLN 74 1HB GLN 74 -4.971 6.617 11.376 570 2HB GLN 74 2HB GLN 74 -5.483 7.010 13.004 571 1HG GLN 74 1HG GLN 74 -5.331 4.360 13.266 572 2HG GLN 74 2HG GLN 74 -4.159 4.562 11.979 573 1HE2 GLN 74 2HE2 GLN 74 -3.378 3.565 14.407 574 2HE2 GLN 74 1HE2 GLN 74 -2.377 4.735 15.235 575 H GLY 75 H GLY 75 -9.396 6.134 11.760 576 1HA GLY 75 1HA GLY 75 -10.258 5.680 14.364 577 2HA GLY 75 2HA GLY 75 -9.850 7.382 14.289 578 H GLN 76 H GLN 76 -10.605 8.246 11.894 579 HA GLN 76 HA GLN 76 -12.975 7.334 10.783 580 1HB GLN 76 1HB GLN 76 -13.565 8.122 13.346 581 2HB GLN 76 2HB GLN 76 -13.961 9.544 12.402 582 1HG GLN 76 1HG GLN 76 -15.157 7.834 10.829 583 2HG GLN 76 2HG GLN 76 -15.126 6.794 12.238 584 1HE2 GLN 76 2HE2 GLN 76 -16.186 7.452 14.166 585 2HE2 GLN 76 1HE2 GLN 76 -17.490 8.616 14.113 586 H HIS 77 H HIS 77 -12.359 8.120 8.890 587 HA HIS 77 HA HIS 77 -12.178 11.062 8.689 588 1HB HIS 77 1HB HIS 77 -9.949 10.184 8.563 589 2HB HIS 77 2HB HIS 77 -10.430 9.067 7.303 590 HD1 HIS 77 1HD HIS 77 -9.353 12.599 7.853 591 HD2 HIS 77 2HD HIS 77 -10.971 10.208 4.783 592 HE1 HIS 77 1HE HIS 77 -9.038 13.917 5.666 593 HE2 HIS 77 2HE HIS 77 -10.067 12.467 3.816 594 H GLY 78 H GLY 78 -14.136 8.648 8.140 595 1HA GLY 78 1HA GLY 78 -15.766 8.177 6.614 596 2HA GLY 78 2HA GLY 78 -15.672 9.868 6.166 597 HA PRO 79 HA PRO 79 -14.244 7.234 2.677 598 1HB PRO 79 1HB PRO 79 -16.267 7.789 0.897 599 2HB PRO 79 2HB PRO 79 -16.187 6.368 1.919 600 1HG PRO 79 1HG PRO 79 -17.893 8.750 2.194 601 2HG PRO 79 2HG PRO 79 -18.091 7.167 2.918 602 1HD PRO 79 1HD PRO 79 -17.108 9.524 4.183 603 2HD PRO 79 2HD PRO 79 -17.202 7.916 4.873 604 H PHE 80 H PHE 80 -12.492 8.479 2.288 605 HA PHE 80 HA PHE 80 -12.873 10.652 0.360 606 1HB PHE 80 1HB PHE 80 -12.973 11.389 2.890 607 2HB PHE 80 2HB PHE 80 -11.232 11.237 2.769 608 HD1 PHE 80 1HD PHE 80 -9.917 12.957 1.823 609 HD2 PHE 80 2HD PHE 80 -14.185 12.934 1.291 610 HE1 PHE 80 1HE PHE 80 -9.804 15.233 0.830 611 HE2 PHE 80 2HE PHE 80 -14.074 15.211 0.299 612 HZ PHE 80 HZ PHE 80 -11.883 16.367 0.064 613 H GLN 81 H GLN 81 -10.409 9.426 2.630 614 HA GLN 81 HA GLN 81 -8.295 9.716 0.707 615 1HB GLN 81 1HB GLN 81 -8.240 8.118 3.250 616 2HB GLN 81 2HB GLN 81 -6.871 8.771 2.374 617 1HG GLN 81 1HG GLN 81 -7.166 10.861 3.201 618 2HG GLN 81 2HG GLN 81 -8.913 10.719 3.215 619 1HE2 GLN 81 2HE2 GLN 81 -7.321 11.829 5.274 620 2HE2 GLN 81 1HE2 GLN 81 -7.535 10.841 6.703 621 H SER 82 H SER 82 -9.826 6.865 2.277 622 HA SER 82 HA SER 82 -8.623 4.807 0.992 623 1HB SER 82 1HB SER 82 -10.425 4.449 2.553 624 2HB SER 82 2HB SER 82 -11.575 5.153 1.434 625 HG SER 82 HG SER 82 -11.621 2.872 1.417 626 H THR 83 H THR 83 -11.271 6.761 -0.381 627 HA THR 83 HA THR 83 -11.671 5.566 -2.780 628 HB THR 83 HB THR 83 -11.857 8.282 -1.757 629 HG1 THR 83 1HG THR 83 -13.858 7.951 -2.843 630 1HG2 THR 83 1HG2 THR 83 -10.605 8.782 -3.877 631 2HG2 THR 83 2HG2 THR 83 -11.835 7.821 -4.770 632 3HG2 THR 83 3HG2 THR 83 -12.315 9.336 -3.929 633 H ARG 84 H ARG 84 -9.355 8.277 -2.601 634 HA ARG 84 HA ARG 84 -8.081 7.472 -5.027 635 1HB ARG 84 1HB ARG 84 -8.043 9.726 -3.293 636 2HB ARG 84 2HB ARG 84 -6.394 9.177 -3.518 637 1HG ARG 84 1HG ARG 84 -8.371 9.986 -5.637 638 2HG ARG 84 2HG ARG 84 -6.832 10.737 -5.266 639 1HD ARG 84 1HD ARG 84 -6.218 8.078 -5.846 640 2HD ARG 84 2HD ARG 84 -7.408 8.542 -7.045 641 HE ARG 84 HE ARG 84 -5.283 10.490 -6.668 642 1HH1 ARG 84 1HH2 ARG 84 -6.345 7.703 -8.491 643 2HH1 ARG 84 2HH2 ARG 84 -5.207 7.985 -9.789 644 1HH2 ARG 84 1HH1 ARG 84 -3.795 10.810 -8.308 645 2HH2 ARG 84 2HH1 ARG 84 -3.773 9.732 -9.686 646 H ILE 85 H ILE 85 -7.225 7.323 -1.597 647 HA ILE 85 HA ILE 85 -4.720 6.310 -1.638 648 HB ILE 85 HB ILE 85 -7.037 5.785 0.124 649 1HG1 ILE 85 1HG1 ILE 85 -5.958 7.907 0.372 650 2HG1 ILE 85 2HG1 ILE 85 -5.598 6.924 1.777 651 1HG2 ILE 85 1HG2 ILE 85 -5.902 3.644 0.086 652 2HG2 ILE 85 2HG2 ILE 85 -4.338 4.461 0.425 653 3HG2 ILE 85 3HG2 ILE 85 -5.643 4.470 1.661 654 1HD1 ILE 85 1HD1 ILE 85 -3.392 6.343 0.836 655 2HD1 ILE 85 2HD1 ILE 85 -3.760 7.349 -0.607 656 3HD1 ILE 85 3HD1 ILE 85 -3.585 8.121 1.006 657 H TYR 86 H TYR 86 -7.659 4.627 -2.519 658 HA TYR 86 HA TYR 86 -6.286 2.097 -2.946 659 1HB TYR 86 1HB TYR 86 -9.043 3.204 -3.047 660 2HB TYR 86 2HB TYR 86 -8.701 1.727 -3.926 661 HD1 TYR 86 1HD TYR 86 -9.307 -0.220 -2.857 662 HD2 TYR 86 2HD TYR 86 -7.908 3.115 -0.518 663 HE1 TYR 86 1HE TYR 86 -9.625 -1.549 -0.770 664 HE2 TYR 86 2HE TYR 86 -8.210 1.796 1.570 665 HH TYR 86 HH TYR 86 -8.883 -0.114 2.419 666 H GLN 87 H GLN 87 -7.808 4.710 -4.832 667 HA GLN 87 HA GLN 87 -7.458 3.523 -7.365 668 1HB GLN 87 1HB GLN 87 -8.648 5.790 -6.414 669 2HB GLN 87 2HB GLN 87 -7.281 6.427 -7.307 670 1HG GLN 87 1HG GLN 87 -7.999 5.489 -9.321 671 2HG GLN 87 2HG GLN 87 -9.033 4.324 -8.518 672 1HE2 GLN 87 2HE2 GLN 87 -10.609 5.083 -10.102 673 2HE2 GLN 87 1HE2 GLN 87 -11.514 6.545 -9.783 674 H ILE 88 H ILE 88 -5.141 4.650 -5.188 675 HA ILE 88 HA ILE 88 -3.157 4.925 -7.351 676 HB ILE 88 HB ILE 88 -3.261 6.204 -4.643 677 1HG1 ILE 88 1HG1 ILE 88 -3.075 7.599 -7.284 678 2HG1 ILE 88 2HG1 ILE 88 -4.625 7.128 -6.616 679 1HG2 ILE 88 1HG2 ILE 88 -0.960 5.526 -5.145 680 2HG2 ILE 88 2HG2 ILE 88 -1.078 6.337 -6.745 681 3HG2 ILE 88 3HG2 ILE 88 -1.141 7.313 -5.238 682 1HD1 ILE 88 1HD1 ILE 88 -4.145 8.406 -4.545 683 2HD1 ILE 88 2HD1 ILE 88 -2.554 8.888 -5.231 684 3HD1 ILE 88 3HD1 ILE 88 -4.076 9.465 -5.997 685 H ALA 89 H ALA 89 -4.324 3.020 -4.836 686 HA ALA 89 HA ALA 89 -1.713 1.717 -4.451 687 1HB ALA 89 1HB ALA 89 -2.876 2.386 -2.416 688 2HB ALA 89 2HB ALA 89 -4.323 1.457 -2.939 689 3HB ALA 89 3HB ALA 89 -2.795 0.595 -2.541 690 H LYS 90 H LYS 90 -4.129 1.618 -6.592 691 HA LYS 90 HA LYS 90 -4.320 -1.311 -6.708 692 1HB LYS 90 1HB LYS 90 -6.315 -1.075 -7.712 693 2HB LYS 90 2HB LYS 90 -6.259 0.509 -6.967 694 1HG LYS 90 1HG LYS 90 -5.317 -0.061 -9.755 695 2HG LYS 90 2HG LYS 90 -6.920 0.526 -9.363 696 1HD LYS 90 1HD LYS 90 -6.041 2.543 -8.462 697 2HD LYS 90 2HD LYS 90 -4.399 1.940 -8.569 698 1HE LYS 90 1HE LYS 90 -4.832 1.742 -11.086 699 2HE LYS 90 2HE LYS 90 -6.233 2.755 -10.798 700 1HZ LYS 90 1HZ LYS 90 -4.789 4.404 -9.876 701 2HZ LYS 90 2HZ LYS 90 -3.466 3.447 -10.148 702 3HZ LYS 90 3HZ LYS 90 -4.337 4.039 -11.426 703 H ASN 91 H ASN 91 -2.671 1.345 -8.025 704 HA ASN 91 HA ASN 91 -1.933 -0.057 -10.475 705 1HB ASN 91 1HB ASN 91 -0.574 2.010 -10.861 706 2HB ASN 91 2HB ASN 91 -2.301 2.277 -10.737 707 1HD2 ASN 91 2HD2 ASN 91 -2.317 4.344 -10.071 708 2HD2 ASN 91 1HD2 ASN 91 -1.676 4.865 -8.529 709 H LEU 92 H LEU 92 -1.066 -0.277 -7.336 710 HA LEU 92 HA LEU 92 1.787 -0.291 -7.548 711 1HB LEU 92 1HB LEU 92 -0.241 -0.905 -5.519 712 2HB LEU 92 2HB LEU 92 1.268 -1.783 -5.367 713 HG LEU 92 HG LEU 92 1.222 1.183 -5.674 714 1HD1 LEU 92 1HD1 LEU 92 -0.239 0.697 -3.780 715 2HD1 LEU 92 2HD1 LEU 92 1.029 -0.363 -3.073 716 3HD1 LEU 92 3HD1 LEU 92 1.314 1.406 -3.216 717 1HD2 LEU 92 1HD2 LEU 92 3.219 -0.724 -4.432 718 2HD2 LEU 92 2HD2 LEU 92 3.369 0.084 -6.032 719 3HD2 LEU 92 3HD2 LEU 92 3.393 1.063 -4.524 720 HA PRO 93 HA PRO 93 1.216 -4.959 -7.970 721 1HB PRO 93 1HB PRO 93 -1.289 -5.971 -8.477 722 2HB PRO 93 2HB PRO 93 -0.538 -5.895 -6.896 723 1HG PRO 93 1HG PRO 93 -2.703 -4.232 -7.998 724 2HG PRO 93 2HG PRO 93 -2.247 -4.479 -6.324 725 1HD PRO 93 1HD PRO 93 -1.653 -2.238 -7.956 726 2HD PRO 93 2HD PRO 93 -1.107 -2.534 -6.317 727 H ASN 94 H ASN 94 0.130 -2.546 -9.899 728 HA ASN 94 HA ASN 94 -0.159 -4.129 -12.332 729 1HB ASN 94 1HB ASN 94 -0.310 -1.209 -11.666 730 2HB ASN 94 2HB ASN 94 -0.261 -1.766 -13.326 731 1HD2 ASN 94 2HD2 ASN 94 -2.359 -0.286 -12.364 732 2HD2 ASN 94 1HD2 ASN 94 -3.793 -1.285 -12.285 733 H VAL 95 H VAL 95 2.083 -1.884 -10.785 734 HA VAL 95 HA VAL 95 4.047 -2.412 -12.932 735 HB VAL 95 HB VAL 95 4.052 -0.251 -10.856 736 1HG1 VAL 95 1HG1 VAL 95 6.296 -0.797 -11.666 737 2HG1 VAL 95 2HG1 VAL 95 5.721 -0.618 -13.360 738 3HG1 VAL 95 3HG1 VAL 95 5.766 0.810 -12.269 739 1HG2 VAL 95 1HG2 VAL 95 3.233 -0.133 -13.780 740 2HG2 VAL 95 2HG2 VAL 95 2.134 0.022 -12.365 741 3HG2 VAL 95 3HG2 VAL 95 3.380 1.280 -12.679 742 H CYS 96 H CYS 96 3.155 -3.468 -9.938 743 HA CYS 96 HA CYS 96 5.890 -4.384 -9.353 744 1HB CYS 96 1HB CYS 96 3.849 -3.806 -7.250 745 2HB CYS 96 2HB CYS 96 5.537 -4.221 -7.028 746 H ASN 97 H ASN 97 4.038 -5.655 -11.071 747 HA ASN 97 HA ASN 97 2.270 -7.447 -10.419 748 1HB ASN 97 1HB ASN 97 4.771 -7.782 -11.954 749 2HB ASN 97 2HB ASN 97 3.894 -9.242 -11.546 750 1HD2 ASN 97 2HD2 ASN 97 3.459 -5.999 -12.870 751 2HD2 ASN 97 1HD2 ASN 97 2.222 -6.431 -14.030 752 H MET 98 H MET 98 1.969 -8.070 -8.322 753 HA MET 98 HA MET 98 4.009 -9.891 -7.215 754 1HB MET 98 1HB MET 98 3.844 -8.912 -5.034 755 2HB MET 98 2HB MET 98 4.299 -7.666 -6.178 756 1HG MET 98 1HG MET 98 1.448 -7.836 -6.008 757 2HG MET 98 2HG MET 98 2.127 -7.650 -4.404 758 1HE MET 98 1HE MET 98 0.245 -5.447 -5.202 759 2HE MET 98 2HE MET 98 1.310 -5.341 -3.759 760 3HE MET 98 3HE MET 98 1.220 -3.965 -4.912 761 H LYS 99 H LYS 99 1.101 -9.705 -8.447 762 HA LYS 99 HA LYS 99 0.045 -11.769 -6.680 763 1HB LYS 99 1HB LYS 99 -1.234 -10.180 -5.722 764 2HB LYS 99 2HB LYS 99 -1.149 -9.118 -7.113 765 1HG LYS 99 1HG LYS 99 -2.622 -11.620 -7.575 766 2HG LYS 99 2HG LYS 99 -3.361 -10.542 -6.407 767 1HD LYS 99 1HD LYS 99 -3.920 -9.015 -7.993 768 2HD LYS 99 2HD LYS 99 -2.384 -9.183 -8.822 769 1HE LYS 99 1HE LYS 99 -3.730 -11.603 -9.264 770 2HE LYS 99 2HE LYS 99 -4.943 -10.356 -9.475 771 1HZ LYS 99 1HZ LYS 99 -3.496 -9.278 -11.030 772 2HZ LYS 99 2HZ LYS 99 -2.349 -10.457 -10.830 773 3HZ LYS 99 3HZ LYS 99 -3.811 -10.831 -11.512 774 H GLN 100 H GLN 100 0.592 -13.300 -8.211 775 HA GLN 100 HA GLN 100 -0.217 -12.972 -10.948 776 1HB GLN 100 1HB GLN 100 1.594 -14.536 -9.737 777 2HB GLN 100 2HB GLN 100 0.273 -15.679 -9.884 778 1HG GLN 100 1HG GLN 100 1.193 -14.011 -12.206 779 2HG GLN 100 2HG GLN 100 1.932 -15.555 -11.831 780 1HE2 GLN 100 2HE2 GLN 100 1.081 -15.762 -14.168 781 2HE2 GLN 100 1HE2 GLN 100 -0.500 -16.497 -14.316 782 H ILE 101 H ILE 101 -1.408 -14.911 -8.219 783 HA ILE 101 HA ILE 101 -3.597 -16.015 -9.600 784 HB ILE 101 HB ILE 101 -3.014 -17.132 -7.677 785 1HG1 ILE 101 1HG1 ILE 101 -4.962 -17.314 -6.415 786 2HG1 ILE 101 2HG1 ILE 101 -5.327 -15.606 -6.561 787 1HG2 ILE 101 1HG2 ILE 101 -1.656 -15.406 -6.654 788 2HG2 ILE 101 2HG2 ILE 101 -3.144 -14.517 -6.170 789 3HG2 ILE 101 3HG2 ILE 101 -2.783 -16.125 -5.450 790 1HD1 ILE 101 1HD1 ILE 101 -5.787 -15.888 -8.978 791 2HD1 ILE 101 2HD1 ILE 101 -5.412 -17.640 -8.828 792 3HD1 ILE 101 3HD1 ILE 101 -6.841 -16.952 -7.981 793 H GLY 102 H GLY 102 -4.238 -13.881 -6.855 794 1HA GLY 102 1HA GLY 102 -5.273 -11.634 -7.807 795 2HA GLY 102 2HA GLY 102 -6.497 -12.775 -8.327 796 H THR 103 H THR 103 -4.753 -11.542 -5.552 797 HA THR 103 HA THR 103 -6.654 -12.697 -3.660 798 HB THR 103 HB THR 103 -4.785 -10.866 -2.476 799 HG1 THR 103 1HG THR 103 -2.899 -11.949 -3.290 800 1HG2 THR 103 1HG2 THR 103 -5.697 -12.955 -1.407 801 2HG2 THR 103 2HG2 THR 103 -4.787 -13.915 -2.624 802 3HG2 THR 103 3HG2 THR 103 -3.900 -12.913 -1.424 803 H CYS 104 H CYS 104 -5.537 -9.431 -4.589 804 HA CYS 104 HA CYS 104 -8.236 -8.450 -3.893 805 1HB CYS 104 1HB CYS 104 -7.395 -6.500 -2.939 806 2HB CYS 104 2HB CYS 104 -6.495 -7.824 -2.229 807 HA PRO 105 HA PRO 105 -7.096 -7.514 -8.214 808 1HB PRO 105 1HB PRO 105 -9.233 -8.736 -9.434 809 2HB PRO 105 2HB PRO 105 -7.654 -9.459 -9.207 810 1HG PRO 105 1HG PRO 105 -10.162 -10.012 -7.776 811 2HG PRO 105 2HG PRO 105 -8.714 -10.994 -7.879 812 1HD PRO 105 1HD PRO 105 -9.531 -9.354 -5.700 813 2HD PRO 105 2HD PRO 105 -8.038 -10.259 -5.845 814 H PHE 106 H PHE 106 -7.957 -5.658 -6.568 815 HA PHE 106 HA PHE 106 -10.566 -4.656 -7.427 816 1HB PHE 106 1HB PHE 106 -10.453 -3.368 -5.548 817 2HB PHE 106 2HB PHE 106 -9.387 -4.673 -5.065 818 HD1 PHE 106 1HD PHE 106 -6.850 -4.346 -5.385 819 HD2 PHE 106 2HD PHE 106 -9.697 -1.133 -5.646 820 HE1 PHE 106 1HE PHE 106 -5.023 -2.708 -5.023 821 HE2 PHE 106 2HE PHE 106 -7.877 0.499 -5.231 822 HZ PHE 106 HZ PHE 106 -5.567 -0.296 -4.798 823 H ILE 107 H ILE 107 -10.829 -2.477 -8.182 824 HA ILE 107 HA ILE 107 -8.865 -0.730 -8.987 825 HB ILE 107 HB ILE 107 -9.056 -1.414 -11.559 826 1HG1 ILE 107 1HG1 ILE 107 -8.476 -4.111 -10.489 827 2HG1 ILE 107 2HG1 ILE 107 -10.159 -3.632 -10.590 828 1HG2 ILE 107 1HG2 ILE 107 -6.995 -0.786 -10.421 829 2HG2 ILE 107 2HG2 ILE 107 -6.937 -2.398 -9.626 830 3HG2 ILE 107 3HG2 ILE 107 -6.742 -2.268 -11.409 831 1HD1 ILE 107 1HD1 ILE 107 -9.890 -3.106 -12.969 832 2HD1 ILE 107 2HD1 ILE 107 -8.164 -3.595 -12.867 833 3HD1 ILE 107 3HD1 ILE 107 -9.461 -4.815 -12.617 834 H ALA 108 H ALA 108 -11.829 -2.367 -10.024 835 HA ALA 108 HA ALA 108 -12.937 -0.071 -11.309 836 1HB ALA 108 1HB ALA 108 -13.635 -2.342 -11.879 837 2HB ALA 108 2HB ALA 108 -14.248 -2.573 -10.205 838 3HB ALA 108 3HB ALA 108 -15.034 -1.377 -11.293 839 H ILE 109 H ILE 109 -12.178 1.324 -9.432 840 HA ILE 109 HA ILE 109 -14.380 1.659 -7.523 841 HB ILE 109 HB ILE 109 -12.413 2.535 -6.012 842 1HG1 ILE 109 1HG1 ILE 109 -10.528 0.894 -6.102 843 2HG1 ILE 109 2HG1 ILE 109 -11.110 0.415 -7.684 844 1HG2 ILE 109 1HG2 ILE 109 -14.107 0.930 -5.322 845 2HG2 ILE 109 2HG2 ILE 109 -13.263 -0.366 -6.241 846 3HG2 ILE 109 3HG2 ILE 109 -12.475 0.378 -4.807 847 1HD1 ILE 109 1HD1 ILE 109 -10.853 2.729 -8.503 848 2HD1 ILE 109 2HD1 ILE 109 -10.258 3.218 -6.879 849 3HD1 ILE 109 3HD1 ILE 109 -9.299 2.074 -7.881 Start of MODEL 2 1 1H GLN 1 1H GLN 1 0.902 -20.960 4.951 2 2H GLN 1 2H GLN 1 1.522 -20.571 3.466 3 3H GLN 1 3H GLN 1 2.520 -20.643 4.786 4 HA GLN 1 HA GLN 1 1.369 -18.821 5.791 5 1HB GLN 1 1HB GLN 1 2.208 -17.070 4.254 6 2HB GLN 1 2HB GLN 1 3.377 -18.333 4.579 7 1HG GLN 1 1HG GLN 1 1.632 -18.622 2.194 8 2HG GLN 1 2HG GLN 1 2.929 -17.445 2.126 9 1HE2 GLN 1 2HE2 GLN 1 3.598 -18.850 0.296 10 2HE2 GLN 1 1HE2 GLN 1 4.511 -20.298 0.657 11 HA PRO 2 HA PRO 2 -2.520 -18.944 3.201 12 1HB PRO 2 1HB PRO 2 -4.277 -19.742 5.176 13 2HB PRO 2 2HB PRO 2 -3.544 -20.808 3.994 14 1HG PRO 2 1HG PRO 2 -2.947 -20.537 6.852 15 2HG PRO 2 2HG PRO 2 -2.528 -21.840 5.759 16 1HD PRO 2 1HD PRO 2 -0.835 -19.765 6.708 17 2HD PRO 2 2HD PRO 2 -0.437 -21.025 5.558 18 H GLN 3 H GLN 3 -4.901 -18.087 4.464 19 HA GLN 3 HA GLN 3 -4.753 -15.360 4.645 20 1HB GLN 3 1HB GLN 3 -6.731 -17.175 5.036 21 2HB GLN 3 2HB GLN 3 -6.513 -16.572 6.666 22 1HG GLN 3 1HG GLN 3 -7.813 -14.838 6.071 23 2HG GLN 3 2HG GLN 3 -6.455 -14.277 5.118 24 1HE2 GLN 3 2HE2 GLN 3 -8.804 -13.412 4.245 25 2HE2 GLN 3 1HE2 GLN 3 -9.320 -14.291 2.822 26 H LYS 4 H LYS 4 -4.005 -17.656 7.269 27 HA LYS 4 HA LYS 4 -3.716 -16.085 9.463 28 1HB LYS 4 1HB LYS 4 -2.800 -18.527 8.741 29 2HB LYS 4 2HB LYS 4 -1.302 -17.633 8.906 30 1HG LYS 4 1HG LYS 4 -2.948 -16.927 11.100 31 2HG LYS 4 2HG LYS 4 -2.987 -18.674 10.965 32 1HD LYS 4 1HD LYS 4 -0.340 -18.230 10.665 33 2HD LYS 4 2HD LYS 4 -0.762 -16.893 11.714 34 1HE LYS 4 1HE LYS 4 -1.952 -18.603 13.176 35 2HE LYS 4 2HE LYS 4 -1.143 -19.832 12.223 36 1HZ LYS 4 1HZ LYS 4 0.952 -18.863 12.841 37 2HZ LYS 4 2HZ LYS 4 0.189 -17.702 13.741 38 3HZ LYS 4 3HZ LYS 4 0.096 -19.293 14.192 39 H CYS 5 H CYS 5 -1.401 -16.060 6.734 40 HA CYS 5 HA CYS 5 0.398 -14.161 7.545 41 1HB CYS 5 1HB CYS 5 0.911 -14.816 5.435 42 2HB CYS 5 2HB CYS 5 -0.759 -14.807 4.908 43 H GLN 6 H GLN 6 -2.753 -13.269 5.942 44 HA GLN 6 HA GLN 6 -2.712 -10.579 6.220 45 1HB GLN 6 1HB GLN 6 -4.730 -12.587 6.116 46 2HB GLN 6 2HB GLN 6 -5.233 -11.307 7.201 47 1HG GLN 6 1HG GLN 6 -4.071 -10.164 4.871 48 2HG GLN 6 2HG GLN 6 -5.292 -11.326 4.396 49 1HE2 GLN 6 2HE2 GLN 6 -6.078 -9.101 3.575 50 2HE2 GLN 6 1HE2 GLN 6 -7.193 -8.277 4.641 51 H ARG 7 H ARG 7 -3.260 -12.785 8.919 52 HA ARG 7 HA ARG 7 -3.360 -10.669 10.881 53 1HB ARG 7 1HB ARG 7 -3.619 -13.566 10.834 54 2HB ARG 7 2HB ARG 7 -2.789 -12.955 12.251 55 1HG ARG 7 1HG ARG 7 -4.604 -11.558 12.839 56 2HG ARG 7 2HG ARG 7 -5.345 -11.726 11.261 57 1HD ARG 7 1HD ARG 7 -6.280 -13.731 11.770 58 2HD ARG 7 2HD ARG 7 -4.890 -14.251 12.703 59 HE ARG 7 HE ARG 7 -6.004 -12.296 14.260 60 1HH1 ARG 7 1HH2 ARG 7 -7.283 -15.227 12.857 61 2HH1 ARG 7 2HH2 ARG 7 -8.445 -15.450 14.146 62 1HH2 ARG 7 1HH1 ARG 7 -7.505 -12.627 15.892 63 2HH2 ARG 7 2HH1 ARG 7 -8.569 -14.013 15.821 64 H GLU 8 H GLU 8 -0.859 -13.157 10.100 65 HA GLU 8 HA GLU 8 1.096 -12.224 11.880 66 1HB GLU 8 1HB GLU 8 0.876 -14.139 9.796 67 2HB GLU 8 2HB GLU 8 2.383 -13.266 9.599 68 1HG GLU 8 1HG GLU 8 1.730 -14.030 12.367 69 2HG GLU 8 2HG GLU 8 2.058 -15.368 11.286 70 H PHE 9 H PHE 9 0.197 -10.961 8.809 71 HA PHE 9 HA PHE 9 2.511 -9.315 8.333 72 1HB PHE 9 1HB PHE 9 1.346 -9.892 6.406 73 2HB PHE 9 2HB PHE 9 -0.215 -9.723 7.187 74 HD1 PHE 9 1HD PHE 9 -1.062 -7.317 7.712 75 HD2 PHE 9 2HD PHE 9 2.175 -8.250 5.058 76 HE1 PHE 9 1HE PHE 9 -1.096 -4.978 6.865 77 HE2 PHE 9 2HE PHE 9 1.777 -6.112 3.871 78 HZ PHE 9 HZ PHE 9 0.254 -4.416 4.857 79 H GLN 10 H GLN 10 -0.775 -8.940 9.697 80 HA GLN 10 HA GLN 10 -0.185 -6.115 10.237 81 1HB GLN 10 1HB GLN 10 -2.499 -7.396 9.487 82 2HB GLN 10 2HB GLN 10 -2.740 -7.054 11.188 83 1HG GLN 10 1HG GLN 10 -1.592 -4.731 10.211 84 2HG GLN 10 2HG GLN 10 -2.670 -5.226 8.923 85 1HE2 GLN 10 2HE2 GLN 10 -2.870 -2.876 10.607 86 2HE2 GLN 10 1HE2 GLN 10 -4.404 -2.995 11.440 87 H GLN 11 H GLN 11 0.477 -8.921 11.721 88 HA GLN 11 HA GLN 11 -0.516 -8.589 14.349 89 1HB GLN 11 1HB GLN 11 0.816 -10.563 12.995 90 2HB GLN 11 2HB GLN 11 2.055 -9.967 14.080 91 1HG GLN 11 1HG GLN 11 -0.418 -10.207 15.497 92 2HG GLN 11 2HG GLN 11 -0.067 -11.717 14.681 93 1HE2 GLN 11 2HE2 GLN 11 -0.008 -10.787 17.589 94 2HE2 GLN 11 1HE2 GLN 11 1.552 -11.349 18.149 95 H GLU 12 H GLU 12 2.613 -7.930 12.838 96 HA GLU 12 HA GLU 12 3.119 -5.581 14.320 97 1HB GLU 12 1HB GLU 12 5.124 -6.650 15.611 98 2HB GLU 12 2HB GLU 12 3.516 -6.573 16.303 99 1HG GLU 12 1HG GLU 12 3.198 -8.829 16.170 100 2HG GLU 12 2HG GLU 12 4.211 -8.998 14.751 101 H GLN 13 H GLN 13 3.310 -6.783 11.642 102 HA GLN 13 HA GLN 13 5.935 -5.734 10.950 103 1HB GLN 13 1HB GLN 13 5.317 -8.615 10.919 104 2HB GLN 13 2HB GLN 13 6.136 -7.986 9.505 105 1HG GLN 13 1HG GLN 13 7.797 -6.925 11.079 106 2HG GLN 13 2HG GLN 13 7.051 -7.851 12.366 107 1HE2 GLN 13 2HE2 GLN 13 9.377 -7.864 9.891 108 2HE2 GLN 13 1HE2 GLN 13 9.768 -9.568 9.946 109 H HIS 14 H HIS 14 3.734 -4.443 10.433 110 HA HIS 14 HA HIS 14 2.412 -5.248 8.009 111 1HB HIS 14 1HB HIS 14 2.380 -2.423 8.871 112 2HB HIS 14 2HB HIS 14 1.073 -3.430 8.279 113 HD1 HIS 14 1HD HIS 14 0.630 -1.579 10.753 114 HD2 HIS 14 2HD HIS 14 1.875 -5.594 10.910 115 HE1 HIS 14 1HE HIS 14 -0.003 -2.458 13.090 116 HE2 HIS 14 2HE HIS 14 0.831 -4.887 13.189 117 H LEU 15 H LEU 15 2.496 -2.615 6.733 118 HA LEU 15 HA LEU 15 5.252 -2.763 5.653 119 1HB LEU 15 1HB LEU 15 2.865 -1.852 4.108 120 2HB LEU 15 2HB LEU 15 4.457 -2.264 3.502 121 HG LEU 15 HG LEU 15 2.327 -4.063 4.527 122 1HD1 LEU 15 1HD1 LEU 15 2.129 -3.510 2.190 123 2HD1 LEU 15 2HD1 LEU 15 3.832 -4.013 1.913 124 3HD1 LEU 15 3HD1 LEU 15 2.599 -5.233 2.386 125 1HD2 LEU 15 1HD2 LEU 15 5.189 -4.838 4.035 126 2HD2 LEU 15 2HD2 LEU 15 4.326 -4.827 5.611 127 3HD2 LEU 15 3HD2 LEU 15 3.826 -5.975 4.322 128 H ARG 16 H ARG 16 5.885 -0.721 4.488 129 HA ARG 16 HA ARG 16 4.890 1.695 5.823 130 1HB ARG 16 1HB ARG 16 7.805 1.007 5.897 131 2HB ARG 16 2HB ARG 16 7.040 2.447 6.539 132 1HG ARG 16 1HG ARG 16 5.678 0.879 8.006 133 2HG ARG 16 2HG ARG 16 6.805 -0.373 7.531 134 1HD ARG 16 1HD ARG 16 8.652 0.839 8.453 135 2HD ARG 16 2HD ARG 16 7.654 2.253 8.726 136 HE ARG 16 HE ARG 16 7.777 -0.163 10.357 137 1HH1 ARG 16 1HH2 ARG 16 5.945 2.756 9.657 138 2HH1 ARG 16 2HH2 ARG 16 5.073 2.671 11.171 139 1HH2 ARG 16 1HH1 ARG 16 6.599 -0.216 12.253 140 2HH2 ARG 16 2HH1 ARG 16 5.433 1.043 12.593 141 H ALA 17 H ALA 17 7.894 0.956 3.982 142 HA ALA 17 HA ALA 17 7.686 3.078 2.259 143 1HB ALA 17 1HB ALA 17 9.664 1.686 2.416 144 2HB ALA 17 2HB ALA 17 8.772 0.309 1.680 145 3HB ALA 17 3HB ALA 17 9.118 1.780 0.706 146 H CYS 18 H CYS 18 5.468 0.446 2.282 147 HA CYS 18 HA CYS 18 4.507 0.876 -0.441 148 1HB CYS 18 1HB CYS 18 4.652 -1.302 1.321 149 2HB CYS 18 2HB CYS 18 2.952 -0.937 1.097 150 H GLN 19 H GLN 19 3.314 0.896 2.912 151 HA GLN 19 HA GLN 19 1.145 2.658 2.076 152 1HB GLN 19 1HB GLN 19 0.384 2.400 4.323 153 2HB GLN 19 2HB GLN 19 0.737 0.852 3.582 154 1HG GLN 19 1HG GLN 19 1.964 0.360 5.352 155 2HG GLN 19 2HG GLN 19 3.093 1.602 4.849 156 1HE2 GLN 19 2HE2 GLN 19 -0.188 1.709 6.272 157 2HE2 GLN 19 1HE2 GLN 19 0.255 2.692 7.649 158 H GLN 20 H GLN 20 3.787 3.790 1.750 159 HA GLN 20 HA GLN 20 3.513 6.129 3.542 160 1HB GLN 20 1HB GLN 20 6.070 4.612 3.090 161 2HB GLN 20 2HB GLN 20 5.998 6.234 3.748 162 1HG GLN 20 1HG GLN 20 4.423 4.050 5.037 163 2HG GLN 20 2HG GLN 20 6.141 4.181 5.355 164 1HE2 GLN 20 2HE2 GLN 20 6.383 4.958 7.310 165 2HE2 GLN 20 1HE2 GLN 20 5.562 6.374 7.926 166 H TRP 21 H TRP 21 5.011 4.619 0.675 167 HA TRP 21 HA TRP 21 5.827 6.985 -0.589 168 1HB TRP 21 1HB TRP 21 5.871 5.800 -2.571 169 2HB TRP 21 2HB TRP 21 6.201 4.625 -1.314 170 HD1 TRP 21 HD TRP 21 4.560 2.619 -1.065 171 HE1 TRP 21 1HE TRP 21 2.606 1.710 -2.454 172 HE3 TRP 21 3HE TRP 21 3.868 6.649 -4.005 173 HZ2 TRP 21 2HZ TRP 21 0.930 2.672 -4.613 174 HZ3 TRP 21 3HZ TRP 21 2.039 6.685 -5.675 175 HH2 TRP 21 HH TRP 21 0.763 4.613 -6.160 176 H ILE 22 H ILE 22 2.643 5.540 -0.336 177 HA ILE 22 HA ILE 22 1.304 7.331 -2.132 178 HB ILE 22 HB ILE 22 0.111 5.775 0.155 179 1HG1 ILE 22 1HG1 ILE 22 0.319 4.858 -2.683 180 2HG1 ILE 22 2HG1 ILE 22 1.524 4.444 -1.479 181 1HG2 ILE 22 1HG2 ILE 22 -1.373 7.492 -0.820 182 2HG2 ILE 22 2HG2 ILE 22 -1.069 6.808 -2.456 183 3HG2 ILE 22 3HG2 ILE 22 -1.951 5.838 -1.225 184 1HD1 ILE 22 1HD1 ILE 22 -0.186 3.310 -0.127 185 2HD1 ILE 22 2HD1 ILE 22 -1.420 3.735 -1.364 186 3HD1 ILE 22 3HD1 ILE 22 -0.076 2.617 -1.783 187 H ARG 23 H ARG 23 2.047 7.329 1.320 188 HA ARG 23 HA ARG 23 0.620 9.726 1.934 189 1HB ARG 23 1HB ARG 23 2.945 8.507 3.350 190 2HB ARG 23 2HB ARG 23 1.820 9.683 3.997 191 1HG ARG 23 1HG ARG 23 1.378 6.792 3.427 192 2HG ARG 23 2HG ARG 23 1.118 7.677 4.917 193 1HD ARG 23 1HD ARG 23 -0.467 7.967 2.373 194 2HD ARG 23 2HD ARG 23 -1.012 7.193 3.847 195 HE ARG 23 HE ARG 23 -0.382 9.712 4.673 196 1HH1 ARG 23 1HH2 ARG 23 -2.405 8.551 2.049 197 2HH1 ARG 23 2HH2 ARG 23 -3.477 9.929 2.159 198 1HH2 ARG 23 1HH1 ARG 23 -1.803 11.412 4.771 199 2HH2 ARG 23 2HH1 ARG 23 -3.146 11.498 3.654 200 H GLN 24 H GLN 24 3.655 9.186 0.417 201 HA GLN 24 HA GLN 24 4.549 11.921 0.848 202 1HB GLN 24 1HB GLN 24 6.083 9.957 0.777 203 2HB GLN 24 2HB GLN 24 5.718 9.809 -0.931 204 1HG GLN 24 1HG GLN 24 7.052 11.546 -1.479 205 2HG GLN 24 2HG GLN 24 6.455 12.529 -0.155 206 1HE2 GLN 24 2HE2 GLN 24 8.337 9.502 -0.501 207 2HE2 GLN 24 1HE2 GLN 24 9.569 9.947 0.659 208 H GLN 25 H GLN 25 2.133 10.728 -0.983 209 HA GLN 25 HA GLN 25 2.729 12.442 -3.303 210 1HB GLN 25 1HB GLN 25 1.965 10.508 -4.175 211 2HB GLN 25 2HB GLN 25 1.019 10.116 -2.753 212 1HG GLN 25 1HG GLN 25 -0.722 11.590 -3.406 213 2HG GLN 25 2HG GLN 25 0.255 12.264 -4.696 214 1HE2 GLN 25 2HE2 GLN 25 -1.830 11.788 -5.776 215 2HE2 GLN 25 1HE2 GLN 25 -1.971 10.218 -6.536 216 H LEU 26 H LEU 26 1.187 12.635 -0.294 217 HA LEU 26 HA LEU 26 -1.122 14.149 -1.040 218 1HB LEU 26 1HB LEU 26 0.369 13.833 1.549 219 2HB LEU 26 2HB LEU 26 -1.096 14.783 1.403 220 HG LEU 26 HG LEU 26 -1.453 12.517 2.279 221 1HD1 LEU 26 1HD1 LEU 26 -3.336 13.621 1.221 222 2HD1 LEU 26 2HD1 LEU 26 -2.805 13.000 -0.379 223 3HD1 LEU 26 3HD1 LEU 26 -3.360 11.854 0.892 224 1HD2 LEU 26 1HD2 LEU 26 -0.662 11.581 -0.473 225 2HD2 LEU 26 2HD2 LEU 26 0.210 11.259 1.067 226 3HD2 LEU 26 3HD2 LEU 26 -1.431 10.574 0.804 227 H ALA 27 H ALA 27 -1.457 16.370 -0.908 228 HA ALA 27 HA ALA 27 0.367 18.020 -2.126 229 1HB ALA 27 1HB ALA 27 -2.001 18.581 -1.774 230 2HB ALA 27 2HB ALA 27 -1.681 18.787 -0.017 231 3HB ALA 27 3HB ALA 27 -0.934 19.911 -1.205 232 H GLY 28 H GLY 28 -0.035 17.593 1.388 233 1HA GLY 28 1HA GLY 28 2.143 19.203 2.229 234 2HA GLY 28 2HA GLY 28 1.398 17.897 3.128 235 H SER 29 H SER 29 3.510 18.334 0.293 236 HA SER 29 HA SER 29 5.439 16.372 1.361 237 1HB SER 29 1HB SER 29 4.372 15.171 -0.326 238 2HB SER 29 2HB SER 29 4.264 16.567 -1.377 239 HG SER 29 HG SER 29 5.865 15.084 -2.054 240 HA PRO 30 HA PRO 30 7.424 20.399 0.364 241 1HB PRO 30 1HB PRO 30 8.342 20.996 2.896 242 2HB PRO 30 2HB PRO 30 6.885 21.656 2.180 243 1HG PRO 30 1HG PRO 30 7.152 19.644 4.281 244 2HG PRO 30 2HG PRO 30 5.741 20.575 3.820 245 1HD PRO 30 1HD PRO 30 6.315 17.852 3.190 246 2HD PRO 30 2HD PRO 30 4.920 18.791 2.700 247 H PHE 31 H PHE 31 9.808 21.002 1.124 248 HA PHE 31 HA PHE 31 11.426 18.533 1.264 249 1HB PHE 31 1HB PHE 31 11.970 20.594 -0.838 250 2HB PHE 31 2HB PHE 31 12.604 18.965 -0.717 251 HD1 PHE 31 1HD PHE 31 11.593 17.154 -1.790 252 HD2 PHE 31 2HD PHE 31 9.562 20.954 -1.485 253 HE1 PHE 31 1HE PHE 31 9.829 16.346 -3.359 254 HE2 PHE 31 2HE PHE 31 7.768 20.123 -3.010 255 HZ PHE 31 HZ PHE 31 7.918 17.824 -3.947 256 H SER 32 H SER 32 12.224 19.179 3.232 257 HA SER 32 HA SER 32 14.510 20.681 3.424 258 1HB SER 32 1HB SER 32 12.162 22.455 3.544 259 2HB SER 32 2HB SER 32 13.321 22.655 4.842 260 HG SER 32 HG SER 32 13.812 23.966 3.020 261 H GLU 33 H GLU 33 11.480 19.836 4.952 262 HA GLU 33 HA GLU 33 12.844 18.683 7.254 263 1HB GLU 33 1HB GLU 33 11.062 21.073 7.462 264 2HB GLU 33 2HB GLU 33 11.193 19.933 8.786 265 1HG GLU 33 1HG GLU 33 13.817 20.375 8.178 266 2HG GLU 33 2HG GLU 33 13.110 21.944 7.847 267 H ASN 34 H ASN 34 10.964 18.059 4.883 268 HA ASN 34 HA ASN 34 9.188 16.280 6.451 269 1HB ASN 34 1HB ASN 34 8.594 18.197 4.320 270 2HB ASN 34 2HB ASN 34 7.871 16.615 4.119 271 1HD2 ASN 34 2HD2 ASN 34 6.385 15.849 5.613 272 2HD2 ASN 34 1HD2 ASN 34 5.601 16.909 6.763 273 H GLN 35 H GLN 35 9.546 14.217 6.079 274 HA GLN 35 HA GLN 35 9.933 13.097 3.502 275 1HB GLN 35 1HB GLN 35 12.327 12.258 4.126 276 2HB GLN 35 2HB GLN 35 12.101 13.779 3.287 277 1HG GLN 35 1HG GLN 35 12.171 14.058 6.194 278 2HG GLN 35 2HG GLN 35 13.650 13.416 5.511 279 1HE2 GLN 35 2HE2 GLN 35 13.970 14.682 3.143 280 2HE2 GLN 35 1HE2 GLN 35 14.054 16.415 3.369 281 H TRP 36 H TRP 36 8.695 11.395 3.920 282 HA TRP 36 HA TRP 36 8.172 10.149 6.307 283 1HB TRP 36 1HB TRP 36 8.168 9.255 3.487 284 2HB TRP 36 2HB TRP 36 7.935 8.048 4.734 285 HD1 TRP 36 HD TRP 36 6.037 10.470 2.720 286 HE1 TRP 36 1HE TRP 36 3.699 10.881 3.711 287 HE3 TRP 36 3HE TRP 36 6.692 8.362 7.325 288 HZ2 TRP 36 2HZ TRP 36 2.186 10.054 6.039 289 HZ3 TRP 36 3HZ TRP 36 4.774 8.100 8.884 290 HH2 TRP 36 HH TRP 36 2.509 8.887 8.224 291 H GLY 37 H GLY 37 10.448 8.766 3.963 292 1HA GLY 37 1HA GLY 37 12.635 8.640 5.753 293 2HA GLY 37 2HA GLY 37 11.837 7.081 5.739 294 HA PRO 38 HA PRO 38 13.268 7.639 1.252 295 1HB PRO 38 1HB PRO 38 14.574 9.923 0.488 296 2HB PRO 38 2HB PRO 38 12.856 9.663 0.270 297 1HG PRO 38 1HG PRO 38 14.229 11.379 2.222 298 2HG PRO 38 2HG PRO 38 12.559 11.430 1.698 299 1HD PRO 38 1HD PRO 38 13.578 10.321 4.115 300 2HD PRO 38 2HD PRO 38 11.918 10.300 3.552 301 H GLN 39 H GLN 39 15.329 9.103 3.763 302 HA GLN 39 HA GLN 39 17.839 8.565 2.642 303 1HB GLN 39 1HB GLN 39 16.703 8.776 5.357 304 2HB GLN 39 2HB GLN 39 18.296 8.061 5.222 305 1HG GLN 39 1HG GLN 39 17.705 10.586 3.749 306 2HG GLN 39 2HG GLN 39 18.029 10.662 5.469 307 1HE2 GLN 39 2HE2 GLN 39 19.560 11.517 2.930 308 2HE2 GLN 39 1HE2 GLN 39 21.164 10.874 3.204 309 H GLN 40 H GLN 40 15.763 6.380 4.526 310 HA GLN 40 HA GLN 40 17.494 4.126 3.730 311 1HB GLN 40 1HB GLN 40 16.910 4.540 6.150 312 2HB GLN 40 2HB GLN 40 15.275 4.064 5.739 313 1HG GLN 40 1HG GLN 40 16.103 1.903 4.924 314 2HG GLN 40 2HG GLN 40 17.743 2.379 5.315 315 1HE2 GLN 40 2HE2 GLN 40 15.880 0.168 6.306 316 2HE2 GLN 40 1HE2 GLN 40 15.950 0.324 8.047 317 H GLY 41 H GLY 41 14.354 5.473 3.161 318 1HA GLY 41 1HA GLY 41 13.650 3.193 1.401 319 2HA GLY 41 2HA GLY 41 12.465 3.979 2.424 320 HA PRO 42 HA PRO 42 13.522 7.356 -0.727 321 1HB PRO 42 1HB PRO 42 15.443 6.865 -2.668 322 2HB PRO 42 2HB PRO 42 15.734 7.733 -1.174 323 1HG PRO 42 1HG PRO 42 16.575 5.020 -1.918 324 2HG PRO 42 2HG PRO 42 17.158 6.030 -0.609 325 1HD PRO 42 1HD PRO 42 15.364 3.828 -0.420 326 2HD PRO 42 2HD PRO 42 15.868 4.899 0.872 327 H SER 43 H SER 43 14.466 4.436 -2.530 328 HA SER 43 HA SER 43 12.453 4.998 -4.562 329 1HB SER 43 1HB SER 43 14.034 2.465 -4.438 330 2HB SER 43 2HB SER 43 13.505 3.370 -5.844 331 HG SER 43 HG SER 43 15.753 3.621 -5.434 332 H LEU 44 H LEU 44 10.823 4.920 -2.606 333 HA LEU 44 HA LEU 44 10.139 2.553 -1.305 334 1HB LEU 44 1HB LEU 44 8.314 4.669 -2.380 335 2HB LEU 44 2HB LEU 44 7.892 3.476 -1.169 336 HG LEU 44 HG LEU 44 10.068 4.659 -0.057 337 1HD1 LEU 44 1HD1 LEU 44 10.227 6.326 -1.832 338 2HD1 LEU 44 2HD1 LEU 44 8.523 6.813 -1.535 339 3HD1 LEU 44 3HD1 LEU 44 9.773 7.109 -0.277 340 1HD2 LEU 44 1HD2 LEU 44 7.195 5.559 0.309 341 2HD2 LEU 44 2HD2 LEU 44 7.991 4.189 1.160 342 3HD2 LEU 44 3HD2 LEU 44 8.551 5.872 1.447 343 H ARG 45 H ARG 45 8.793 3.762 -4.485 344 HA ARG 45 HA ARG 45 7.330 1.445 -5.061 345 1HB ARG 45 1HB ARG 45 8.993 3.034 -6.986 346 2HB ARG 45 2HB ARG 45 7.624 2.017 -7.388 347 1HG ARG 45 1HG ARG 45 7.555 4.489 -5.685 348 2HG ARG 45 2HG ARG 45 6.968 4.351 -7.330 349 1HD ARG 45 1HD ARG 45 5.675 2.299 -5.944 350 2HD ARG 45 2HD ARG 45 5.636 3.668 -4.852 351 HE ARG 45 HE ARG 45 3.980 3.344 -7.066 352 1HH1 ARG 45 1HH2 ARG 45 6.021 5.866 -5.725 353 2HH1 ARG 45 2HH2 ARG 45 5.136 7.136 -6.539 354 1HH2 ARG 45 1HH1 ARG 45 2.943 5.008 -8.133 355 2HH2 ARG 45 2HH1 ARG 45 3.443 6.662 -7.864 356 H GLU 46 H GLU 46 10.812 1.742 -5.126 357 HA GLU 46 HA GLU 46 11.130 -0.927 -6.282 358 1HB GLU 46 1HB GLU 46 12.676 1.456 -6.011 359 2HB GLU 46 2HB GLU 46 13.564 0.101 -5.342 360 1HG GLU 46 1HG GLU 46 12.894 -1.152 -7.475 361 2HG GLU 46 2HG GLU 46 12.471 0.424 -8.115 362 H GLN 47 H GLN 47 11.087 0.546 -3.134 363 HA GLN 47 HA GLN 47 12.334 -1.728 -1.807 364 1HB GLN 47 1HB GLN 47 11.821 1.059 -1.117 365 2HB GLN 47 2HB GLN 47 11.450 -0.064 0.175 366 1HG GLN 47 1HG GLN 47 13.844 -1.021 -0.853 367 2HG GLN 47 2HG GLN 47 14.043 0.719 -0.897 368 1HE2 GLN 47 2HE2 GLN 47 13.023 -1.947 1.300 369 2HE2 GLN 47 1HE2 GLN 47 13.517 -1.119 2.758 370 H CYS 48 H CYS 48 9.223 0.044 -1.624 371 HA CYS 48 HA CYS 48 7.769 -1.841 -0.180 372 1HB CYS 48 1HB CYS 48 6.481 -0.082 -0.373 373 2HB CYS 48 2HB CYS 48 7.195 0.393 -1.902 374 H CYS 49 H CYS 49 8.055 -1.563 -3.775 375 HA CYS 49 HA CYS 49 6.544 -3.889 -4.270 376 1HB CYS 49 1HB CYS 49 8.795 -2.606 -5.743 377 2HB CYS 49 2HB CYS 49 8.007 -4.053 -6.339 378 H ASN 50 H ASN 50 9.699 -3.635 -2.878 379 HA ASN 50 HA ASN 50 10.152 -6.527 -3.045 380 1HB ASN 50 1HB ASN 50 11.766 -4.186 -2.836 381 2HB ASN 50 2HB ASN 50 12.090 -5.224 -1.462 382 1HD2 ASN 50 2HD2 ASN 50 11.449 -5.518 -4.956 383 2HD2 ASN 50 1HD2 ASN 50 12.685 -6.722 -5.251 384 H GLU 51 H GLU 51 9.080 -4.116 -0.788 385 HA GLU 51 HA GLU 51 9.361 -5.801 1.545 386 1HB GLU 51 1HB GLU 51 9.408 -3.942 2.733 387 2HB GLU 51 2HB GLU 51 9.484 -3.084 1.207 388 1HG GLU 51 1HG GLU 51 6.967 -3.093 1.217 389 2HG GLU 51 2HG GLU 51 7.059 -3.669 2.869 390 H LEU 52 H LEU 52 7.149 -5.498 -0.889 391 HA LEU 52 HA LEU 52 4.870 -6.251 0.804 392 1HB LEU 52 1HB LEU 52 3.562 -5.088 -0.567 393 2HB LEU 52 2HB LEU 52 5.061 -4.312 -1.035 394 HG LEU 52 HG LEU 52 3.882 -4.718 -2.999 395 1HD1 LEU 52 1HD1 LEU 52 6.229 -5.344 -3.307 396 2HD1 LEU 52 2HD1 LEU 52 5.825 -7.027 -2.817 397 3HD1 LEU 52 3HD1 LEU 52 5.130 -6.338 -4.326 398 1HD2 LEU 52 1HD2 LEU 52 3.460 -7.519 -1.967 399 2HD2 LEU 52 2HD2 LEU 52 2.235 -6.205 -2.065 400 3HD2 LEU 52 3HD2 LEU 52 2.923 -6.907 -3.571 401 H TYR 53 H TYR 53 7.221 -7.404 -1.393 402 HA TYR 53 HA TYR 53 5.642 -9.744 -2.262 403 1HB TYR 53 1HB TYR 53 7.516 -8.094 -3.503 404 2HB TYR 53 2HB TYR 53 8.397 -9.565 -3.144 405 HD1 TYR 53 1HD TYR 53 7.071 -11.808 -3.793 406 HD2 TYR 53 2HD TYR 53 6.542 -7.907 -5.564 407 HE1 TYR 53 1HE TYR 53 6.289 -12.868 -5.918 408 HE2 TYR 53 2HE TYR 53 5.661 -8.976 -7.641 409 HH TYR 53 HH TYR 53 4.956 -10.907 -8.568 410 H GLN 54 H GLN 54 8.473 -8.713 -0.429 411 HA GLN 54 HA GLN 54 9.680 -11.166 0.108 412 1HB GLN 54 1HB GLN 54 10.490 -10.121 2.181 413 2HB GLN 54 2HB GLN 54 10.692 -9.090 0.779 414 1HG GLN 54 1HG GLN 54 8.736 -7.802 1.409 415 2HG GLN 54 2HG GLN 54 8.449 -8.867 2.772 416 1HE2 GLN 54 2HE2 GLN 54 8.893 -7.845 4.614 417 2HE2 GLN 54 1HE2 GLN 54 10.280 -6.816 4.893 418 H GLU 55 H GLU 55 6.722 -9.831 1.397 419 HA GLU 55 HA GLU 55 6.456 -11.853 3.441 420 1HB GLU 55 1HB GLU 55 4.517 -9.836 2.388 421 2HB GLU 55 2HB GLU 55 4.279 -10.836 3.808 422 1HG GLU 55 1HG GLU 55 6.094 -9.784 4.937 423 2HG GLU 55 2HG GLU 55 6.561 -8.918 3.486 424 H ASP 56 H ASP 56 6.546 -12.443 0.382 425 HA ASP 56 HA ASP 56 5.791 -14.133 -0.944 426 1HB ASP 56 1HB ASP 56 5.200 -15.162 1.401 427 2HB ASP 56 2HB ASP 56 3.558 -14.805 0.901 428 H GLN 57 H GLN 57 3.378 -14.908 -1.825 429 HA GLN 57 HA GLN 57 2.095 -12.476 -2.783 430 1HB GLN 57 1HB GLN 57 2.204 -15.307 -3.491 431 2HB GLN 57 2HB GLN 57 0.634 -14.571 -3.743 432 1HG GLN 57 1HG GLN 57 2.269 -14.438 -5.686 433 2HG GLN 57 2HG GLN 57 1.519 -12.934 -5.193 434 1HE2 GLN 57 2HE2 GLN 57 4.386 -14.915 -4.323 435 2HE2 GLN 57 1HE2 GLN 57 5.477 -13.555 -4.183 436 H VAL 58 H VAL 58 1.558 -14.815 -0.344 437 HA VAL 58 HA VAL 58 -1.275 -14.338 -0.066 438 HB VAL 58 HB VAL 58 0.181 -15.477 2.206 439 1HG1 VAL 58 1HG1 VAL 58 -2.275 -15.451 2.114 440 2HG1 VAL 58 2HG1 VAL 58 -2.223 -16.371 0.571 441 3HG1 VAL 58 3HG1 VAL 58 -1.653 -17.137 2.094 442 1HG2 VAL 58 1HG2 VAL 58 0.064 -16.931 -0.464 443 2HG2 VAL 58 2HG2 VAL 58 1.555 -16.366 0.364 444 3HG2 VAL 58 3HG2 VAL 58 0.552 -17.659 1.106 445 H CYS 59 H CYS 59 1.406 -12.569 0.670 446 HA CYS 59 HA CYS 59 -0.037 -10.937 2.643 447 1HB CYS 59 1HB CYS 59 2.882 -11.224 2.246 448 2HB CYS 59 2HB CYS 59 2.091 -10.175 3.405 449 H VAL 60 H VAL 60 0.073 -11.038 -0.407 450 HA VAL 60 HA VAL 60 0.858 -8.242 -0.901 451 HB VAL 60 HB VAL 60 0.284 -10.598 -2.623 452 1HG1 VAL 60 1HG1 VAL 60 -1.021 -8.759 -3.589 453 2HG1 VAL 60 2HG1 VAL 60 0.437 -7.709 -3.538 454 3HG1 VAL 60 3HG1 VAL 60 0.403 -9.147 -4.615 455 1HG2 VAL 60 1HG2 VAL 60 2.560 -8.618 -2.404 456 2HG2 VAL 60 2HG2 VAL 60 2.532 -10.289 -1.740 457 3HG2 VAL 60 3HG2 VAL 60 2.505 -10.029 -3.519 458 H CYS 61 H CYS 61 -1.871 -10.179 -0.288 459 HA CYS 61 HA CYS 61 -3.628 -8.125 -0.011 460 1HB CYS 61 1HB CYS 61 -3.221 -8.468 -2.750 461 2HB CYS 61 2HB CYS 61 -4.821 -9.082 -2.391 462 HA PRO 62 HA PRO 62 -5.780 -7.794 0.038 463 1HB PRO 62 1HB PRO 62 -7.500 -7.819 2.155 464 2HB PRO 62 2HB PRO 62 -7.966 -8.122 0.493 465 1HG PRO 62 1HG PRO 62 -7.700 -10.031 2.710 466 2HG PRO 62 2HG PRO 62 -8.532 -10.232 1.180 467 1HD PRO 62 1HD PRO 62 -5.948 -11.245 1.918 468 2HD PRO 62 2HD PRO 62 -6.780 -11.450 0.391 469 H THR 63 H THR 63 -3.766 -9.464 1.895 470 HA THR 63 HA THR 63 -3.321 -8.231 4.290 471 HB THR 63 HB THR 63 -0.993 -8.725 2.544 472 HG1 THR 63 1HG THR 63 -1.515 -10.970 2.588 473 1HG2 THR 63 1HG2 THR 63 -0.771 -8.517 4.997 474 2HG2 THR 63 2HG2 THR 63 -1.910 -9.896 5.179 475 3HG2 THR 63 3HG2 THR 63 -0.309 -10.151 4.403 476 H LEU 64 H LEU 64 -2.148 -7.015 1.112 477 HA LEU 64 HA LEU 64 -1.024 -4.617 2.157 478 1HB LEU 64 1HB LEU 64 -1.595 -5.784 -0.394 479 2HB LEU 64 2HB LEU 64 -2.012 -4.081 -0.398 480 HG LEU 64 HG LEU 64 0.533 -4.569 0.875 481 1HD1 LEU 64 1HD1 LEU 64 0.662 -6.438 -0.679 482 2HD1 LEU 64 2HD1 LEU 64 0.246 -5.326 -2.030 483 3HD1 LEU 64 3HD1 LEU 64 1.796 -5.120 -1.141 484 1HD2 LEU 64 1HD2 LEU 64 -0.282 -2.928 -1.539 485 2HD2 LEU 64 2HD2 LEU 64 -0.240 -2.354 0.164 486 3HD2 LEU 64 3HD2 LEU 64 1.288 -2.808 -0.670 487 H LYS 65 H LYS 65 -4.313 -5.406 1.092 488 HA LYS 65 HA LYS 65 -5.598 -2.984 1.209 489 1HB LYS 65 1HB LYS 65 -6.581 -5.364 0.903 490 2HB LYS 65 2HB LYS 65 -6.817 -5.301 2.637 491 1HG LYS 65 1HG LYS 65 -8.326 -3.561 2.502 492 2HG LYS 65 2HG LYS 65 -7.757 -3.063 0.922 493 1HD LYS 65 1HD LYS 65 -9.628 -4.102 0.197 494 2HD LYS 65 2HD LYS 65 -8.651 -5.549 0.355 495 1HE LYS 65 1HE LYS 65 -9.550 -5.951 2.577 496 2HE LYS 65 2HE LYS 65 -10.465 -4.459 2.502 497 1HZ LYS 65 1HZ LYS 65 -11.683 -5.355 0.655 498 2HZ LYS 65 2HZ LYS 65 -10.819 -6.765 0.726 499 3HZ LYS 65 3HZ LYS 65 -11.824 -6.347 1.972 500 H GLN 66 H GLN 66 -4.201 -4.720 3.959 501 HA GLN 66 HA GLN 66 -5.289 -2.878 5.894 502 1HB GLN 66 1HB GLN 66 -3.859 -5.296 5.905 503 2HB GLN 66 2HB GLN 66 -2.952 -4.122 6.834 504 1HG GLN 66 1HG GLN 66 -4.482 -4.069 8.478 505 2HG GLN 66 2HG GLN 66 -5.824 -4.075 7.351 506 1HE2 GLN 66 2HE2 GLN 66 -3.246 -6.528 7.343 507 2HE2 GLN 66 1HE2 GLN 66 -4.270 -7.852 7.847 508 H ALA 67 H ALA 67 -1.829 -3.421 4.932 509 HA ALA 67 HA ALA 67 -0.722 -1.202 6.082 510 1HB ALA 67 1HB ALA 67 0.551 -2.872 4.846 511 2HB ALA 67 2HB ALA 67 -0.165 -2.283 3.307 512 3HB ALA 67 3HB ALA 67 0.935 -1.219 4.249 513 H ALA 68 H ALA 68 -2.480 -1.223 2.991 514 HA ALA 68 HA ALA 68 -2.389 1.599 2.565 515 1HB ALA 68 1HB ALA 68 -2.761 -0.007 0.756 516 2HB ALA 68 2HB ALA 68 -4.293 -0.526 1.541 517 3HB ALA 68 3HB ALA 68 -4.139 1.142 0.887 518 H LYS 69 H LYS 69 -5.049 -0.511 3.890 519 HA LYS 69 HA LYS 69 -6.784 1.623 4.509 520 1HB LYS 69 1HB LYS 69 -6.399 -1.122 5.543 521 2HB LYS 69 2HB LYS 69 -7.421 -0.030 6.454 522 1HG LYS 69 1HG LYS 69 -7.754 -0.713 3.532 523 2HG LYS 69 2HG LYS 69 -8.739 -1.333 4.842 524 1HD LYS 69 1HD LYS 69 -8.800 1.426 5.186 525 2HD LYS 69 2HD LYS 69 -8.920 1.204 3.453 526 1HE LYS 69 1HE LYS 69 -10.994 0.341 3.592 527 2HE LYS 69 2HE LYS 69 -10.594 -0.627 4.997 528 1HZ LYS 69 1HZ LYS 69 -10.779 1.334 6.340 529 2HZ LYS 69 2HZ LYS 69 -11.156 2.248 5.012 530 3HZ LYS 69 3HZ LYS 69 -12.192 1.061 5.521 531 H SER 70 H SER 70 -3.902 0.618 6.232 532 HA SER 70 HA SER 70 -4.397 2.449 8.457 533 1HB SER 70 1HB SER 70 -3.295 0.181 8.641 534 2HB SER 70 2HB SER 70 -1.900 0.912 7.872 535 HG SER 70 HG SER 70 -1.766 0.953 10.156 536 H VAL 71 H VAL 71 -3.555 2.941 5.362 537 HA VAL 71 HA VAL 71 -1.418 4.891 5.802 538 HB VAL 71 HB VAL 71 -1.977 3.240 3.782 539 1HG1 VAL 71 1HG1 VAL 71 -4.007 4.347 3.007 540 2HG1 VAL 71 2HG1 VAL 71 -3.084 5.878 2.813 541 3HG1 VAL 71 3HG1 VAL 71 -2.687 4.454 1.789 542 1HG2 VAL 71 1HG2 VAL 71 -0.647 5.923 3.495 543 2HG2 VAL 71 2HG2 VAL 71 0.116 4.396 4.059 544 3HG2 VAL 71 3HG2 VAL 71 -0.469 4.537 2.364 545 H ARG 72 H ARG 72 -4.856 4.766 5.637 546 HA ARG 72 HA ARG 72 -5.160 7.602 5.051 547 1HB ARG 72 1HB ARG 72 -7.572 7.075 5.623 548 2HB ARG 72 2HB ARG 72 -6.891 6.318 4.197 549 1HG ARG 72 1HG ARG 72 -6.758 4.239 5.216 550 2HG ARG 72 2HG ARG 72 -6.899 4.918 6.824 551 1HD ARG 72 1HD ARG 72 -9.236 5.588 5.374 552 2HD ARG 72 2HD ARG 72 -8.937 3.873 5.175 553 HE ARG 72 HE ARG 72 -8.596 4.251 7.863 554 1HH1 ARG 72 1HH2 ARG 72 -11.215 4.913 5.657 555 2HH1 ARG 72 2HH2 ARG 72 -12.433 4.787 6.906 556 1HH2 ARG 72 1HH1 ARG 72 -10.184 4.134 9.442 557 2HH2 ARG 72 2HH1 ARG 72 -11.861 4.356 9.000 558 H VAL 73 H VAL 73 -5.245 5.465 7.824 559 HA VAL 73 HA VAL 73 -6.436 7.004 9.778 560 HB VAL 73 HB VAL 73 -4.100 5.125 10.016 561 1HG1 VAL 73 1HG1 VAL 73 -4.139 6.629 11.970 562 2HG1 VAL 73 2HG1 VAL 73 -5.879 6.247 12.218 563 3HG1 VAL 73 3HG1 VAL 73 -4.638 4.964 12.429 564 1HG2 VAL 73 1HG2 VAL 73 -7.086 4.742 10.486 565 2HG2 VAL 73 2HG2 VAL 73 -6.144 4.095 9.099 566 3HG2 VAL 73 3HG2 VAL 73 -5.821 3.494 10.762 567 H GLN 74 H GLN 74 -6.126 9.106 9.971 568 HA GLN 74 HA GLN 74 -3.434 10.052 10.622 569 1HB GLN 74 1HB GLN 74 -3.855 10.319 8.120 570 2HB GLN 74 2HB GLN 74 -5.032 11.540 8.562 571 1HG GLN 74 1HG GLN 74 -2.998 12.707 8.193 572 2HG GLN 74 2HG GLN 74 -3.209 12.635 9.931 573 1HE2 GLN 74 2HE2 GLN 74 -0.713 13.192 8.829 574 2HE2 GLN 74 1HE2 GLN 74 0.352 11.830 9.097 575 H GLY 75 H GLY 75 -4.750 9.802 12.658 576 1HA GLY 75 1HA GLY 75 -5.573 10.981 14.472 577 2HA GLY 75 2HA GLY 75 -5.639 12.429 13.487 578 H GLN 76 H GLN 76 -7.590 13.164 12.887 579 HA GLN 76 HA GLN 76 -9.908 11.333 13.127 580 1HB GLN 76 1HB GLN 76 -9.513 14.153 13.942 581 2HB GLN 76 2HB GLN 76 -11.106 13.655 13.410 582 1HG GLN 76 1HG GLN 76 -10.634 11.636 15.073 583 2HG GLN 76 2HG GLN 76 -9.571 12.812 15.818 584 1HE2 GLN 76 2HE2 GLN 76 -10.633 15.088 16.032 585 2HE2 GLN 76 1HE2 GLN 76 -12.278 15.090 16.629 586 H HIS 77 H HIS 77 -10.015 10.590 11.065 587 HA HIS 77 HA HIS 77 -10.601 12.650 9.019 588 1HB HIS 77 1HB HIS 77 -8.463 11.240 8.808 589 2HB HIS 77 2HB HIS 77 -9.541 9.939 8.343 590 HD1 HIS 77 1HD HIS 77 -8.829 13.569 7.257 591 HD2 HIS 77 2HD HIS 77 -10.150 9.846 5.759 592 HE1 HIS 77 1HE HIS 77 -9.122 13.869 4.717 593 HE2 HIS 77 2HE HIS 77 -10.013 11.621 3.835 594 H GLY 78 H GLY 78 -11.258 10.013 7.461 595 1HA GLY 78 1HA GLY 78 -13.461 8.718 8.408 596 2HA GLY 78 2HA GLY 78 -14.101 10.224 7.782 597 HA PRO 79 HA PRO 79 -13.916 7.280 4.284 598 1HB PRO 79 1HB PRO 79 -16.421 7.923 3.315 599 2HB PRO 79 2HB PRO 79 -16.085 6.593 4.406 600 1HG PRO 79 1HG PRO 79 -17.398 9.156 4.977 601 2HG PRO 79 2HG PRO 79 -17.409 7.682 5.923 602 1HD PRO 79 1HD PRO 79 -15.874 10.027 6.412 603 2HD PRO 79 2HD PRO 79 -15.806 8.513 7.293 604 H PHE 80 H PHE 80 -12.527 8.228 2.902 605 HA PHE 80 HA PHE 80 -13.327 9.987 0.840 606 1HB PHE 80 1HB PHE 80 -12.854 11.324 3.303 607 2HB PHE 80 2HB PHE 80 -11.493 11.674 2.257 608 HD1 PHE 80 1HD PHE 80 -11.933 12.610 -0.065 609 HD2 PHE 80 2HD PHE 80 -14.926 12.449 3.042 610 HE1 PHE 80 1HE PHE 80 -13.265 14.364 -1.239 611 HE2 PHE 80 2HE PHE 80 -16.287 14.145 1.831 612 HZ PHE 80 HZ PHE 80 -15.439 15.118 -0.296 613 H GLN 81 H GLN 81 -10.763 8.964 3.034 614 HA GLN 81 HA GLN 81 -8.663 9.389 1.109 615 1HB GLN 81 1HB GLN 81 -8.833 8.289 3.828 616 2HB GLN 81 2HB GLN 81 -7.517 7.714 2.825 617 1HG GLN 81 1HG GLN 81 -8.153 10.556 3.539 618 2HG GLN 81 2HG GLN 81 -6.766 9.618 4.059 619 1HE2 GLN 81 2HE2 GLN 81 -7.942 11.853 1.786 620 2HE2 GLN 81 1HE2 GLN 81 -6.586 11.801 0.682 621 H SER 82 H SER 82 -10.034 6.372 2.526 622 HA SER 82 HA SER 82 -8.902 4.431 1.019 623 1HB SER 82 1HB SER 82 -10.459 3.710 2.541 624 2HB SER 82 2HB SER 82 -11.702 4.781 1.929 625 HG SER 82 HG SER 82 -12.117 2.605 1.469 626 H THR 83 H THR 83 -11.457 6.587 -0.197 627 HA THR 83 HA THR 83 -11.797 5.594 -2.749 628 HB THR 83 HB THR 83 -11.937 8.236 -1.488 629 HG1 THR 83 1HG THR 83 -14.017 8.046 -2.417 630 1HG2 THR 83 1HG2 THR 83 -10.853 8.896 -3.608 631 2HG2 THR 83 2HG2 THR 83 -12.112 7.979 -4.505 632 3HG2 THR 83 3HG2 THR 83 -12.572 9.420 -3.531 633 H ARG 84 H ARG 84 -9.436 8.261 -2.183 634 HA ARG 84 HA ARG 84 -8.160 7.665 -4.707 635 1HB ARG 84 1HB ARG 84 -8.383 9.922 -3.243 636 2HB ARG 84 2HB ARG 84 -6.749 9.430 -2.843 637 1HG ARG 84 1HG ARG 84 -5.999 9.681 -5.014 638 2HG ARG 84 2HG ARG 84 -7.571 9.334 -5.707 639 1HD ARG 84 1HD ARG 84 -8.385 11.497 -5.191 640 2HD ARG 84 2HD ARG 84 -7.032 11.832 -4.129 641 HE ARG 84 HE ARG 84 -6.292 11.323 -6.901 642 1HH1 ARG 84 1HH2 ARG 84 -7.166 13.811 -4.596 643 2HH1 ARG 84 2HH2 ARG 84 -6.406 15.076 -5.534 644 1HH2 ARG 84 1HH1 ARG 84 -5.334 12.980 -8.055 645 2HH2 ARG 84 2HH1 ARG 84 -5.395 14.617 -7.443 646 H ILE 85 H ILE 85 -7.455 7.144 -1.349 647 HA ILE 85 HA ILE 85 -4.851 6.289 -1.331 648 HB ILE 85 HB ILE 85 -7.245 5.488 0.237 649 1HG1 ILE 85 1HG1 ILE 85 -6.312 7.587 0.774 650 2HG1 ILE 85 2HG1 ILE 85 -5.913 6.478 2.070 651 1HG2 ILE 85 1HG2 ILE 85 -5.988 3.397 0.120 652 2HG2 ILE 85 2HG2 ILE 85 -4.504 4.265 0.644 653 3HG2 ILE 85 3HG2 ILE 85 -5.900 4.115 1.766 654 1HD1 ILE 85 1HD1 ILE 85 -3.644 6.201 1.169 655 2HD1 ILE 85 2HD1 ILE 85 -4.051 7.341 -0.161 656 3HD1 ILE 85 3HD1 ILE 85 -4.008 7.923 1.539 657 H TYR 86 H TYR 86 -7.732 4.401 -2.166 658 HA TYR 86 HA TYR 86 -6.227 2.060 -2.935 659 1HB TYR 86 1HB TYR 86 -9.038 3.004 -3.096 660 2HB TYR 86 2HB TYR 86 -8.541 1.631 -4.064 661 HD1 TYR 86 1HD TYR 86 -9.107 -0.404 -3.193 662 HD2 TYR 86 2HD TYR 86 -7.966 2.777 -0.529 663 HE1 TYR 86 1HE TYR 86 -9.414 -1.933 -1.239 664 HE2 TYR 86 2HE TYR 86 -8.273 1.272 1.423 665 HH TYR 86 HH TYR 86 -8.941 -0.646 2.112 666 H GLN 87 H GLN 87 -7.766 4.798 -4.647 667 HA GLN 87 HA GLN 87 -7.325 3.879 -7.265 668 1HB GLN 87 1HB GLN 87 -8.373 6.131 -6.125 669 2HB GLN 87 2HB GLN 87 -6.952 6.736 -6.952 670 1HG GLN 87 1HG GLN 87 -7.792 6.261 -9.024 671 2HG GLN 87 2HG GLN 87 -8.667 4.851 -8.462 672 1HE2 GLN 87 2HE2 GLN 87 -8.650 8.415 -7.999 673 2HE2 GLN 87 1HE2 GLN 87 -10.392 8.571 -7.959 674 H ILE 88 H ILE 88 -5.001 4.912 -4.969 675 HA ILE 88 HA ILE 88 -2.914 5.142 -7.043 676 HB ILE 88 HB ILE 88 -3.184 6.125 -4.232 677 1HG1 ILE 88 1HG1 ILE 88 -2.296 7.755 -6.569 678 2HG1 ILE 88 2HG1 ILE 88 -3.987 7.307 -6.468 679 1HG2 ILE 88 1HG2 ILE 88 -0.929 5.173 -4.442 680 2HG2 ILE 88 2HG2 ILE 88 -0.682 6.125 -5.946 681 3HG2 ILE 88 3HG2 ILE 88 -0.875 6.968 -4.369 682 1HD1 ILE 88 1HD1 ILE 88 -4.128 8.270 -4.195 683 2HD1 ILE 88 2HD1 ILE 88 -2.394 8.729 -4.298 684 3HD1 ILE 88 3HD1 ILE 88 -3.594 9.499 -5.394 685 H ALA 89 H ALA 89 -3.966 3.325 -4.206 686 HA ALA 89 HA ALA 89 -1.633 1.598 -4.244 687 1HB ALA 89 1HB ALA 89 -2.651 2.199 -2.128 688 2HB ALA 89 2HB ALA 89 -4.213 1.492 -2.669 689 3HB ALA 89 3HB ALA 89 -2.788 0.428 -2.403 690 H LYS 90 H LYS 90 -3.724 1.822 -6.523 691 HA LYS 90 HA LYS 90 -4.311 -1.059 -6.848 692 1HB LYS 90 1HB LYS 90 -6.032 -0.429 -8.373 693 2HB LYS 90 2HB LYS 90 -6.235 0.486 -6.892 694 1HG LYS 90 1HG LYS 90 -6.385 2.292 -8.192 695 2HG LYS 90 2HG LYS 90 -4.659 2.130 -8.440 696 1HD LYS 90 1HD LYS 90 -4.917 1.117 -10.512 697 2HD LYS 90 2HD LYS 90 -6.550 0.589 -10.161 698 1HE LYS 90 1HE LYS 90 -6.348 2.478 -11.823 699 2HE LYS 90 2HE LYS 90 -7.423 2.771 -10.472 700 1HZ LYS 90 1HZ LYS 90 -5.683 4.005 -9.417 701 2HZ LYS 90 2HZ LYS 90 -4.667 3.728 -10.695 702 3HZ LYS 90 3HZ LYS 90 -6.030 4.645 -10.905 703 H ASN 91 H ASN 91 -2.650 1.702 -8.197 704 HA ASN 91 HA ASN 91 -1.734 0.261 -10.536 705 1HB ASN 91 1HB ASN 91 -1.615 2.963 -9.514 706 2HB ASN 91 2HB ASN 91 -0.087 2.446 -10.198 707 1HD2 ASN 91 2HD2 ASN 91 -3.569 2.588 -10.844 708 2HD2 ASN 91 1HD2 ASN 91 -3.420 2.728 -12.581 709 H LEU 92 H LEU 92 -1.000 -0.146 -7.373 710 HA LEU 92 HA LEU 92 1.859 -0.398 -7.523 711 1HB LEU 92 1HB LEU 92 -0.250 -0.757 -5.558 712 2HB LEU 92 2HB LEU 92 1.014 -1.963 -5.424 713 HG LEU 92 HG LEU 92 1.475 0.993 -5.478 714 1HD1 LEU 92 1HD1 LEU 92 0.196 0.364 -3.485 715 2HD1 LEU 92 2HD1 LEU 92 1.385 -0.936 -3.128 716 3HD1 LEU 92 3HD1 LEU 92 1.884 0.788 -3.036 717 1HD2 LEU 92 1HD2 LEU 92 3.353 -1.297 -4.824 718 2HD2 LEU 92 2HD2 LEU 92 3.401 -0.277 -6.303 719 3HD2 LEU 92 3HD2 LEU 92 3.748 0.453 -4.696 720 HA PRO 93 HA PRO 93 1.079 -5.043 -8.066 721 1HB PRO 93 1HB PRO 93 -1.489 -5.974 -8.373 722 2HB PRO 93 2HB PRO 93 -0.618 -5.950 -6.852 723 1HG PRO 93 1HG PRO 93 -2.835 -4.230 -7.740 724 2HG PRO 93 2HG PRO 93 -2.256 -4.529 -6.113 725 1HD PRO 93 1HD PRO 93 -1.728 -2.269 -7.744 726 2HD PRO 93 2HD PRO 93 -1.077 -2.612 -6.152 727 H ASN 94 H ASN 94 -0.220 -2.562 -9.886 728 HA ASN 94 HA ASN 94 -0.706 -4.103 -12.320 729 1HB ASN 94 1HB ASN 94 -0.612 -1.173 -11.677 730 2HB ASN 94 2HB ASN 94 -0.911 -1.794 -13.288 731 1HD2 ASN 94 2HD2 ASN 94 -2.741 -0.179 -12.314 732 2HD2 ASN 94 1HD2 ASN 94 -4.174 -1.046 -11.812 733 H VAL 95 H VAL 95 1.777 -2.023 -10.933 734 HA VAL 95 HA VAL 95 3.519 -2.478 -13.282 735 HB VAL 95 HB VAL 95 3.979 -0.505 -11.076 736 1HG1 VAL 95 1HG1 VAL 95 5.931 -1.017 -12.496 737 2HG1 VAL 95 2HG1 VAL 95 4.952 -0.637 -13.956 738 3HG1 VAL 95 3HG1 VAL 95 5.348 0.660 -12.775 739 1HG2 VAL 95 1HG2 VAL 95 2.510 -0.037 -13.702 740 2HG2 VAL 95 2HG2 VAL 95 1.770 -0.006 -12.064 741 3HG2 VAL 95 3HG2 VAL 95 2.984 1.237 -12.526 742 H CYS 96 H CYS 96 2.959 -3.519 -10.136 743 HA CYS 96 HA CYS 96 5.596 -4.838 -10.071 744 1HB CYS 96 1HB CYS 96 4.133 -3.503 -7.825 745 2HB CYS 96 2HB CYS 96 5.358 -4.724 -7.545 746 H ASN 97 H ASN 97 3.307 -5.893 -11.337 747 HA ASN 97 HA ASN 97 1.456 -7.411 -10.231 748 1HB ASN 97 1HB ASN 97 3.473 -8.145 -12.279 749 2HB ASN 97 2HB ASN 97 2.370 -9.379 -11.703 750 1HD2 ASN 97 2HD2 ASN 97 2.535 -6.150 -13.128 751 2HD2 ASN 97 1HD2 ASN 97 0.994 -6.245 -13.949 752 H MET 98 H MET 98 1.504 -8.045 -8.193 753 HA MET 98 HA MET 98 3.566 -10.003 -7.412 754 1HB MET 98 1HB MET 98 3.582 -9.037 -5.162 755 2HB MET 98 2HB MET 98 4.156 -7.920 -6.384 756 1HG MET 98 1HG MET 98 1.375 -7.586 -6.155 757 2HG MET 98 2HG MET 98 2.039 -7.609 -4.534 758 1HE MET 98 1HE MET 98 0.462 -5.129 -5.365 759 2HE MET 98 2HE MET 98 1.394 -5.238 -3.832 760 3HE MET 98 3HE MET 98 1.575 -3.798 -4.894 761 H LYS 99 H LYS 99 0.631 -9.954 -8.361 762 HA LYS 99 HA LYS 99 -0.180 -12.083 -6.551 763 1HB LYS 99 1HB LYS 99 -1.055 -10.305 -5.303 764 2HB LYS 99 2HB LYS 99 -1.617 -9.473 -6.740 765 1HG LYS 99 1HG LYS 99 -3.024 -11.775 -6.928 766 2HG LYS 99 2HG LYS 99 -2.897 -11.621 -5.187 767 1HD LYS 99 1HD LYS 99 -4.918 -10.531 -6.126 768 2HD LYS 99 2HD LYS 99 -3.875 -9.431 -5.247 769 1HE LYS 99 1HE LYS 99 -3.128 -9.440 -8.017 770 2HE LYS 99 2HE LYS 99 -4.848 -9.139 -7.876 771 1HZ LYS 99 1HZ LYS 99 -4.368 -7.399 -6.313 772 2HZ LYS 99 2HZ LYS 99 -2.742 -7.683 -6.446 773 3HZ LYS 99 3HZ LYS 99 -3.592 -7.113 -7.748 774 H GLN 100 H GLN 100 0.257 -13.287 -8.369 775 HA GLN 100 HA GLN 100 -1.077 -12.732 -10.846 776 1HB GLN 100 1HB GLN 100 0.979 -14.297 -10.254 777 2HB GLN 100 2HB GLN 100 -0.288 -15.505 -10.176 778 1HG GLN 100 1HG GLN 100 -0.344 -13.676 -12.504 779 2HG GLN 100 2HG GLN 100 0.957 -14.847 -12.466 780 1HE2 GLN 100 2HE2 GLN 100 -2.599 -14.568 -12.201 781 2HE2 GLN 100 1HE2 GLN 100 -2.935 -16.148 -12.872 782 H ILE 101 H ILE 101 -1.673 -15.113 -8.272 783 HA ILE 101 HA ILE 101 -3.920 -16.360 -9.104 784 HB ILE 101 HB ILE 101 -3.200 -17.111 -7.092 785 1HG1 ILE 101 1HG1 ILE 101 -4.945 -16.975 -5.490 786 2HG1 ILE 101 2HG1 ILE 101 -5.466 -15.416 -6.098 787 1HG2 ILE 101 1HG2 ILE 101 -1.733 -15.263 -6.470 788 2HG2 ILE 101 2HG2 ILE 101 -3.158 -14.287 -5.970 789 3HG2 ILE 101 3HG2 ILE 101 -2.724 -15.775 -5.060 790 1HD1 ILE 101 1HD1 ILE 101 -6.161 -16.457 -8.237 791 2HD1 ILE 101 2HD1 ILE 101 -5.626 -18.056 -7.614 792 3HD1 ILE 101 3HD1 ILE 101 -7.007 -17.204 -6.836 793 H GLY 102 H GLY 102 -4.202 -13.421 -7.087 794 1HA GLY 102 1HA GLY 102 -5.607 -11.569 -7.800 795 2HA GLY 102 2HA GLY 102 -6.623 -12.711 -8.656 796 H THR 103 H THR 103 -5.334 -12.332 -5.329 797 HA THR 103 HA THR 103 -7.753 -13.363 -4.122 798 HB THR 103 HB THR 103 -5.608 -13.679 -3.051 799 HG1 THR 103 1HG THR 103 -6.216 -12.840 -1.006 800 1HG2 THR 103 1HG2 THR 103 -4.502 -11.596 -3.826 801 2HG2 THR 103 2HG2 THR 103 -5.588 -10.653 -2.747 802 3HG2 THR 103 3HG2 THR 103 -4.390 -11.793 -2.041 803 H CYS 104 H CYS 104 -6.299 -10.084 -4.332 804 HA CYS 104 HA CYS 104 -8.995 -8.975 -3.856 805 1HB CYS 104 1HB CYS 104 -8.176 -7.357 -2.490 806 2HB CYS 104 2HB CYS 104 -7.050 -8.653 -2.137 807 HA PRO 105 HA PRO 105 -7.463 -7.791 -8.071 808 1HB PRO 105 1HB PRO 105 -9.476 -8.894 -9.581 809 2HB PRO 105 2HB PRO 105 -7.947 -9.677 -9.239 810 1HG PRO 105 1HG PRO 105 -10.611 -10.256 -8.132 811 2HG PRO 105 2HG PRO 105 -9.189 -11.277 -8.171 812 1HD PRO 105 1HD PRO 105 -10.175 -9.787 -5.965 813 2HD PRO 105 2HD PRO 105 -8.698 -10.725 -6.036 814 H PHE 106 H PHE 106 -8.567 -6.139 -6.263 815 HA PHE 106 HA PHE 106 -11.047 -4.933 -7.121 816 1HB PHE 106 1HB PHE 106 -10.791 -3.662 -5.246 817 2HB PHE 106 2HB PHE 106 -9.722 -4.981 -4.812 818 HD1 PHE 106 1HD PHE 106 -7.232 -4.694 -4.932 819 HD2 PHE 106 2HD PHE 106 -9.951 -1.449 -5.773 820 HE1 PHE 106 1HE PHE 106 -5.363 -3.061 -4.674 821 HE2 PHE 106 2HE PHE 106 -8.073 0.170 -5.564 822 HZ PHE 106 HZ PHE 106 -5.813 -0.626 -4.901 823 H ILE 107 H ILE 107 -11.235 -2.808 -7.926 824 HA ILE 107 HA ILE 107 -9.291 -1.093 -8.853 825 HB ILE 107 HB ILE 107 -9.608 -1.788 -11.395 826 1HG1 ILE 107 1HG1 ILE 107 -9.050 -4.515 -10.379 827 2HG1 ILE 107 2HG1 ILE 107 -10.719 -3.987 -10.438 828 1HG2 ILE 107 1HG2 ILE 107 -7.497 -1.157 -10.394 829 2HG2 ILE 107 2HG2 ILE 107 -7.383 -2.758 -9.582 830 3HG2 ILE 107 3HG2 ILE 107 -7.287 -2.650 -11.374 831 1HD1 ILE 107 1HD1 ILE 107 -10.507 -3.515 -12.834 832 2HD1 ILE 107 2HD1 ILE 107 -8.794 -4.056 -12.772 833 3HD1 ILE 107 3HD1 ILE 107 -10.120 -5.229 -12.455 834 H ALA 108 H ALA 108 -12.307 -2.713 -9.828 835 HA ALA 108 HA ALA 108 -13.498 -0.387 -11.019 836 1HB ALA 108 1HB ALA 108 -14.176 -2.663 -11.629 837 2HB ALA 108 2HB ALA 108 -14.714 -2.956 -9.939 838 3HB ALA 108 3HB ALA 108 -15.571 -1.749 -10.961 839 H ILE 109 H ILE 109 -12.571 0.773 -8.944 840 HA ILE 109 HA ILE 109 -14.645 1.020 -6.874 841 HB ILE 109 HB ILE 109 -12.808 2.342 -5.714 842 1HG1 ILE 109 1HG1 ILE 109 -10.809 0.751 -7.205 843 2HG1 ILE 109 2HG1 ILE 109 -11.399 2.206 -7.986 844 1HG2 ILE 109 1HG2 ILE 109 -13.570 0.142 -4.956 845 2HG2 ILE 109 2HG2 ILE 109 -12.498 -0.650 -6.162 846 3HG2 ILE 109 3HG2 ILE 109 -11.784 0.277 -4.797 847 1HD1 ILE 109 1HD1 ILE 109 -10.775 3.545 -6.009 848 2HD1 ILE 109 2HD1 ILE 109 -10.169 2.054 -5.209 849 3HD1 ILE 109 3HD1 ILE 109 -9.357 2.673 -6.688 Start of MODEL 3 1 1H GLN 1 1H GLN 1 -7.565 -13.017 2.137 2 2H GLN 1 2H GLN 1 -8.796 -14.048 1.732 3 3H GLN 1 3H GLN 1 -9.072 -12.418 1.806 4 HA GLN 1 HA GLN 1 -8.629 -12.418 4.144 5 1HB GLN 1 1HB GLN 1 -10.849 -13.824 2.843 6 2HB GLN 1 2HB GLN 1 -10.689 -14.126 4.560 7 1HG GLN 1 1HG GLN 1 -10.532 -11.327 3.530 8 2HG GLN 1 2HG GLN 1 -12.096 -12.087 3.744 9 1HE2 GLN 1 2HE2 GLN 1 -9.433 -10.567 5.280 10 2HE2 GLN 1 1HE2 GLN 1 -9.988 -10.734 6.930 11 HA PRO 2 HA PRO 2 -6.378 -16.435 4.459 12 1HB PRO 2 1HB PRO 2 -3.877 -15.427 5.061 13 2HB PRO 2 2HB PRO 2 -4.402 -15.967 3.479 14 1HG PRO 2 1HG PRO 2 -3.978 -13.225 4.441 15 2HG PRO 2 2HG PRO 2 -4.106 -13.803 2.792 16 1HD PRO 2 1HD PRO 2 -6.111 -12.482 4.319 17 2HD PRO 2 2HD PRO 2 -6.266 -13.138 2.702 18 H GLN 3 H GLN 3 -4.785 -17.038 6.434 19 HA GLN 3 HA GLN 3 -5.716 -15.565 8.836 20 1HB GLN 3 1HB GLN 3 -6.753 -17.953 8.203 21 2HB GLN 3 2HB GLN 3 -5.329 -18.477 9.082 22 1HG GLN 3 1HG GLN 3 -5.966 -17.122 10.995 23 2HG GLN 3 2HG GLN 3 -7.337 -16.477 10.115 24 1HE2 GLN 3 2HE2 GLN 3 -8.344 -17.335 12.211 25 2HE2 GLN 3 1HE2 GLN 3 -8.916 -18.986 12.165 26 H LYS 4 H LYS 4 -3.334 -17.776 7.383 27 HA LYS 4 HA LYS 4 -1.493 -17.677 9.552 28 1HB LYS 4 1HB LYS 4 -1.702 -19.079 7.183 29 2HB LYS 4 2HB LYS 4 -0.261 -18.107 6.968 30 1HG LYS 4 1HG LYS 4 -0.031 -19.022 9.568 31 2HG LYS 4 2HG LYS 4 -0.705 -20.396 8.717 32 1HD LYS 4 1HD LYS 4 1.661 -18.898 7.633 33 2HD LYS 4 2HD LYS 4 1.857 -20.192 8.799 34 1HE LYS 4 1HE LYS 4 0.144 -21.299 6.943 35 2HE LYS 4 2HE LYS 4 1.220 -20.338 5.951 36 1HZ LYS 4 1HZ LYS 4 3.074 -21.431 6.985 37 2HZ LYS 4 2HZ LYS 4 2.056 -22.340 7.924 38 3HZ LYS 4 3HZ LYS 4 2.068 -22.544 6.281 39 H CYS 5 H CYS 5 -1.077 -16.218 6.305 40 HA CYS 5 HA CYS 5 0.870 -14.333 7.143 41 1HB CYS 5 1HB CYS 5 0.872 -14.470 4.867 42 2HB CYS 5 2HB CYS 5 -0.864 -14.690 4.777 43 H GLN 6 H GLN 6 -2.720 -14.152 6.987 44 HA GLN 6 HA GLN 6 -2.939 -11.432 7.709 45 1HB GLN 6 1HB GLN 6 -4.642 -13.831 8.083 46 2HB GLN 6 2HB GLN 6 -5.089 -12.330 8.867 47 1HG GLN 6 1HG GLN 6 -4.348 -11.606 6.294 48 2HG GLN 6 2HG GLN 6 -5.275 -13.079 6.094 49 1HE2 GLN 6 2HE2 GLN 6 -5.813 -10.261 5.316 50 2HE2 GLN 6 1HE2 GLN 6 -7.396 -9.927 5.983 51 H ARG 7 H ARG 7 -1.839 -14.055 9.617 52 HA ARG 7 HA ARG 7 -1.925 -12.413 12.063 53 1HB ARG 7 1HB ARG 7 -2.866 -14.860 11.847 54 2HB ARG 7 2HB ARG 7 -1.180 -15.289 12.057 55 1HG ARG 7 1HG ARG 7 -1.997 -13.244 13.939 56 2HG ARG 7 2HG ARG 7 -2.996 -14.677 14.078 57 1HD ARG 7 1HD ARG 7 -0.139 -15.255 13.837 58 2HD ARG 7 2HD ARG 7 -0.553 -14.343 15.273 59 HE ARG 7 HE ARG 7 -2.390 -16.475 15.021 60 1HH1 ARG 7 1HH2 ARG 7 1.013 -16.013 15.708 61 2HH1 ARG 7 2HH2 ARG 7 1.105 -17.468 16.675 62 1HH2 ARG 7 1HH1 ARG 7 -2.215 -18.306 16.270 63 2HH2 ARG 7 2HH1 ARG 7 -0.678 -18.735 16.986 64 H GLU 8 H GLU 8 0.136 -12.932 9.582 65 HA GLU 8 HA GLU 8 2.540 -12.868 11.305 66 1HB GLU 8 1HB GLU 8 1.914 -14.491 9.036 67 2HB GLU 8 2HB GLU 8 3.313 -13.494 8.691 68 1HG GLU 8 1HG GLU 8 3.838 -14.328 11.242 69 2HG GLU 8 2HG GLU 8 3.026 -15.727 10.570 70 H PHE 9 H PHE 9 0.687 -11.300 8.878 71 HA PHE 9 HA PHE 9 2.728 -9.463 7.962 72 1HB PHE 9 1HB PHE 9 1.000 -9.983 6.438 73 2HB PHE 9 2HB PHE 9 -0.240 -9.783 7.659 74 HD1 PHE 9 1HD PHE 9 -0.750 -7.419 8.525 75 HD2 PHE 9 2HD PHE 9 1.573 -8.241 4.986 76 HE1 PHE 9 1HE PHE 9 -0.979 -5.031 7.864 77 HE2 PHE 9 2HE PHE 9 1.012 -5.969 4.157 78 HZ PHE 9 HZ PHE 9 -0.127 -4.338 5.628 79 H GLN 10 H GLN 10 -0.146 -9.413 10.089 80 HA GLN 10 HA GLN 10 0.523 -6.671 10.891 81 1HB GLN 10 1HB GLN 10 -1.884 -7.883 10.518 82 2HB GLN 10 2HB GLN 10 -1.694 -7.992 12.257 83 1HG GLN 10 1HG GLN 10 -0.899 -5.461 11.924 84 2HG GLN 10 2HG GLN 10 -1.955 -5.590 10.530 85 1HE2 GLN 10 2HE2 GLN 10 -2.358 -3.879 12.815 86 2HE2 GLN 10 1HE2 GLN 10 -3.871 -4.373 13.538 87 H GLN 11 H GLN 11 1.062 -9.879 11.899 88 HA GLN 11 HA GLN 11 1.023 -9.931 14.608 89 1HB GLN 11 1HB GLN 11 2.092 -11.505 12.720 90 2HB GLN 11 2HB GLN 11 3.556 -10.840 13.416 91 1HG GLN 11 1HG GLN 11 1.756 -11.544 15.524 92 2HG GLN 11 2HG GLN 11 1.924 -12.913 14.445 93 1HE2 GLN 11 2HE2 GLN 11 2.719 -13.315 16.937 94 2HE2 GLN 11 1HE2 GLN 11 4.465 -13.377 17.015 95 H GLU 12 H GLU 12 3.515 -8.432 12.590 96 HA GLU 12 HA GLU 12 4.178 -6.325 14.206 97 1HB GLU 12 1HB GLU 12 6.411 -7.303 15.159 98 2HB GLU 12 2HB GLU 12 4.912 -7.361 16.064 99 1HG GLU 12 1HG GLU 12 4.735 -9.616 15.899 100 2HG GLU 12 2HG GLU 12 5.460 -9.663 14.304 101 H GLN 13 H GLN 13 4.086 -7.131 11.462 102 HA GLN 13 HA GLN 13 6.580 -5.931 10.593 103 1HB GLN 13 1HB GLN 13 6.189 -8.833 10.451 104 2HB GLN 13 2HB GLN 13 6.602 -8.104 8.912 105 1HG GLN 13 1HG GLN 13 8.691 -7.530 9.589 106 2HG GLN 13 2HG GLN 13 8.174 -7.184 11.227 107 1HE2 GLN 13 2HE2 GLN 13 9.239 -8.425 12.626 108 2HE2 GLN 13 1HE2 GLN 13 9.610 -10.119 12.395 109 H HIS 14 H HIS 14 4.302 -4.677 10.395 110 HA HIS 14 HA HIS 14 2.647 -5.458 8.177 111 1HB HIS 14 1HB HIS 14 2.812 -2.658 9.166 112 2HB HIS 14 2HB HIS 14 1.411 -3.565 8.636 113 HD1 HIS 14 1HD HIS 14 1.130 -1.954 11.222 114 HD2 HIS 14 2HD HIS 14 2.542 -5.914 11.036 115 HE1 HIS 14 1HE HIS 14 0.758 -2.983 13.557 116 HE2 HIS 14 2HE HIS 14 1.665 -5.386 13.426 117 H LEU 15 H LEU 15 2.553 -2.756 6.979 118 HA LEU 15 HA LEU 15 5.118 -2.875 5.488 119 1HB LEU 15 1HB LEU 15 2.518 -1.956 4.344 120 2HB LEU 15 2HB LEU 15 3.994 -2.370 3.493 121 HG LEU 15 HG LEU 15 2.015 -4.176 4.782 122 1HD1 LEU 15 1HD1 LEU 15 1.510 -3.554 2.509 123 2HD1 LEU 15 2HD1 LEU 15 3.151 -4.077 1.994 124 3HD1 LEU 15 3HD1 LEU 15 1.971 -5.289 2.603 125 1HD2 LEU 15 1HD2 LEU 15 4.738 -4.992 3.806 126 2HD2 LEU 15 2HD2 LEU 15 4.152 -5.023 5.506 127 3HD2 LEU 15 3HD2 LEU 15 3.406 -6.104 4.278 128 H ARG 16 H ARG 16 5.601 -0.803 4.324 129 HA ARG 16 HA ARG 16 4.714 1.602 5.736 130 1HB ARG 16 1HB ARG 16 7.452 0.471 6.016 131 2HB ARG 16 2HB ARG 16 7.231 2.208 5.965 132 1HG ARG 16 1HG ARG 16 5.639 2.058 7.831 133 2HG ARG 16 2HG ARG 16 5.874 0.322 7.887 134 1HD ARG 16 1HD ARG 16 8.187 0.591 8.461 135 2HD ARG 16 2HD ARG 16 8.098 2.322 8.204 136 HE ARG 16 HE ARG 16 6.195 1.900 10.116 137 1HH1 ARG 16 1HH2 ARG 16 9.571 1.008 9.916 138 2HH1 ARG 16 2HH2 ARG 16 9.783 1.056 11.652 139 1HH2 ARG 16 1HH1 ARG 16 6.522 1.950 12.330 140 2HH2 ARG 16 2HH1 ARG 16 8.102 1.575 12.984 141 H ALA 17 H ALA 17 7.686 0.889 3.839 142 HA ALA 17 HA ALA 17 7.462 2.971 2.076 143 1HB ALA 17 1HB ALA 17 9.405 1.513 2.197 144 2HB ALA 17 2HB ALA 17 8.447 0.161 1.498 145 3HB ALA 17 3HB ALA 17 8.813 1.612 0.501 146 H CYS 18 H CYS 18 5.197 0.368 2.184 147 HA CYS 18 HA CYS 18 4.188 0.788 -0.523 148 1HB CYS 18 1HB CYS 18 4.347 -1.376 1.215 149 2HB CYS 18 2HB CYS 18 2.649 -0.956 1.142 150 H GLN 19 H GLN 19 3.063 0.880 2.855 151 HA GLN 19 HA GLN 19 0.856 2.617 2.090 152 1HB GLN 19 1HB GLN 19 0.171 2.322 4.330 153 2HB GLN 19 2HB GLN 19 0.605 0.786 3.606 154 1HG GLN 19 1HG GLN 19 1.686 0.429 5.511 155 2HG GLN 19 2HG GLN 19 2.916 1.472 4.828 156 1HE2 GLN 19 2HE2 GLN 19 -0.286 2.052 6.344 157 2HE2 GLN 19 1HE2 GLN 19 0.298 3.213 7.515 158 H GLN 20 H GLN 20 3.581 3.679 1.778 159 HA GLN 20 HA GLN 20 3.419 6.025 3.568 160 1HB GLN 20 1HB GLN 20 5.896 4.453 2.959 161 2HB GLN 20 2HB GLN 20 5.922 6.094 3.567 162 1HG GLN 20 1HG GLN 20 4.334 4.025 5.021 163 2HG GLN 20 2HG GLN 20 6.073 4.071 5.233 164 1HE2 GLN 20 2HE2 GLN 20 3.061 5.786 5.700 165 2HE2 GLN 20 1HE2 GLN 20 3.683 6.944 6.854 166 H TRP 21 H TRP 21 4.578 4.554 0.547 167 HA TRP 21 HA TRP 21 5.303 7.020 -0.684 168 1HB TRP 21 1HB TRP 21 5.434 5.826 -2.653 169 2HB TRP 21 2HB TRP 21 5.801 4.649 -1.407 170 HD1 TRP 21 HD TRP 21 4.340 2.508 -1.329 171 HE1 TRP 21 1HE TRP 21 2.358 1.613 -2.682 172 HE3 TRP 21 3HE TRP 21 3.391 6.700 -3.998 173 HZ2 TRP 21 2HZ TRP 21 0.544 2.656 -4.679 174 HZ3 TRP 21 3HZ TRP 21 1.562 6.726 -5.671 175 HH2 TRP 21 HH TRP 21 0.190 4.704 -6.007 176 H ILE 22 H ILE 22 2.238 5.367 -0.251 177 HA ILE 22 HA ILE 22 0.753 7.024 -2.073 178 HB ILE 22 HB ILE 22 -0.214 5.436 0.291 179 1HG1 ILE 22 1HG1 ILE 22 -0.216 4.480 -2.539 180 2HG1 ILE 22 2HG1 ILE 22 1.171 4.206 -1.506 181 1HG2 ILE 22 1HG2 ILE 22 -1.824 7.052 -0.594 182 2HG2 ILE 22 2HG2 ILE 22 -1.567 6.392 -2.247 183 3HG2 ILE 22 3HG2 ILE 22 -2.327 5.370 -0.977 184 1HD1 ILE 22 1HD1 ILE 22 -0.238 2.999 0.106 185 2HD1 ILE 22 2HD1 ILE 22 -1.661 3.281 -0.955 186 3HD1 ILE 22 3HD1 ILE 22 -0.304 2.249 -1.528 187 H ARG 23 H ARG 23 1.975 7.412 1.110 188 HA ARG 23 HA ARG 23 0.286 9.621 1.885 189 1HB ARG 23 1HB ARG 23 2.950 9.021 3.079 190 2HB ARG 23 2HB ARG 23 1.541 9.736 3.834 191 1HG ARG 23 1HG ARG 23 1.754 6.877 2.899 192 2HG ARG 23 2HG ARG 23 1.882 7.411 4.564 193 1HD ARG 23 1HD ARG 23 -0.529 7.652 2.783 194 2HD ARG 23 2HD ARG 23 -0.350 6.585 4.161 195 HE ARG 23 HE ARG 23 -1.158 9.318 4.231 196 1HH1 ARG 23 1HH2 ARG 23 0.845 7.074 6.073 197 2HH1 ARG 23 2HH2 ARG 23 0.599 7.958 7.562 198 1HH2 ARG 23 1HH1 ARG 23 -1.423 10.365 6.175 199 2HH2 ARG 23 2HH1 ARG 23 -0.642 9.758 7.619 200 H GLN 24 H GLN 24 2.884 9.314 -0.256 201 HA GLN 24 HA GLN 24 3.895 11.997 0.073 202 1HB GLN 24 1HB GLN 24 4.300 9.838 -1.959 203 2HB GLN 24 2HB GLN 24 5.036 11.420 -2.112 204 1HG GLN 24 1HG GLN 24 5.384 9.591 0.256 205 2HG GLN 24 2HG GLN 24 6.535 9.749 -1.055 206 1HE2 GLN 24 2HE2 GLN 24 7.100 10.255 1.705 207 2HE2 GLN 24 1HE2 GLN 24 7.511 11.950 1.842 208 H GLN 25 H GLN 25 0.929 11.053 -0.893 209 HA GLN 25 HA GLN 25 0.768 13.099 -3.022 210 1HB GLN 25 1HB GLN 25 -0.545 10.595 -2.440 211 2HB GLN 25 2HB GLN 25 -1.702 11.875 -2.741 212 1HG GLN 25 1HG GLN 25 0.575 11.904 -4.544 213 2HG GLN 25 2HG GLN 25 -0.379 10.439 -4.650 214 1HE2 GLN 25 2HE2 GLN 25 0.029 12.429 -6.709 215 2HE2 GLN 25 1HE2 GLN 25 -1.574 12.991 -7.124 216 H LEU 26 H LEU 26 0.497 12.953 0.271 217 HA LEU 26 HA LEU 26 -1.964 14.466 0.557 218 1HB LEU 26 1HB LEU 26 0.150 13.578 2.505 219 2HB LEU 26 2HB LEU 26 -1.259 14.510 2.971 220 HG LEU 26 HG LEU 26 -1.390 12.047 3.386 221 1HD1 LEU 26 1HD1 LEU 26 -3.401 13.411 3.385 222 2HD1 LEU 26 2HD1 LEU 26 -3.518 13.243 1.598 223 3HD1 LEU 26 3HD1 LEU 26 -3.727 11.802 2.653 224 1HD2 LEU 26 1HD2 LEU 26 -1.729 11.858 0.390 225 2HD2 LEU 26 2HD2 LEU 26 -0.384 11.158 1.357 226 3HD2 LEU 26 3HD2 LEU 26 -2.060 10.548 1.578 227 H ALA 27 H ALA 27 -1.791 16.517 1.952 228 HA ALA 27 HA ALA 27 -0.011 18.330 0.539 229 1HB ALA 27 1HB ALA 27 -2.344 18.912 0.898 230 2HB ALA 27 2HB ALA 27 -2.111 18.774 2.675 231 3HB ALA 27 3HB ALA 27 -1.273 20.072 1.757 232 H GLY 28 H GLY 28 1.597 16.579 1.893 233 1HA GLY 28 1HA GLY 28 2.905 18.343 3.833 234 2HA GLY 28 2HA GLY 28 2.356 16.794 4.441 235 H SER 29 H SER 29 4.297 18.299 1.912 236 HA SER 29 HA SER 29 6.635 16.918 2.085 237 1HB SER 29 1HB SER 29 4.586 15.179 0.881 238 2HB SER 29 2HB SER 29 6.060 15.331 -0.053 239 HG SER 29 HG SER 29 6.179 13.655 1.503 240 HA PRO 30 HA PRO 30 6.346 18.561 -2.300 241 1HB PRO 30 1HB PRO 30 3.895 19.314 -3.330 242 2HB PRO 30 2HB PRO 30 4.672 17.773 -3.627 243 1HG PRO 30 1HG PRO 30 2.351 18.371 -1.927 244 2HG PRO 30 2HG PRO 30 2.886 16.825 -2.554 245 1HD PRO 30 1HD PRO 30 3.243 17.840 0.072 246 2HD PRO 30 2HD PRO 30 3.855 16.332 -0.579 247 H PHE 31 H PHE 31 6.319 20.712 -3.215 248 HA PHE 31 HA PHE 31 5.381 22.821 -1.361 249 1HB PHE 31 1HB PHE 31 8.108 23.029 -2.512 250 2HB PHE 31 2HB PHE 31 7.449 23.767 -1.065 251 HD1 PHE 31 1HD PHE 31 7.263 22.485 1.051 252 HD2 PHE 31 2HD PHE 31 9.135 20.836 -2.484 253 HE1 PHE 31 1HE PHE 31 8.347 20.719 2.445 254 HE2 PHE 31 2HE PHE 31 10.221 19.072 -1.088 255 HZ PHE 31 HZ PHE 31 9.898 19.084 1.385 256 H SER 32 H SER 32 6.955 22.054 -4.438 257 HA SER 32 HA SER 32 5.201 23.965 -5.809 258 1HB SER 32 1HB SER 32 7.968 24.509 -5.258 259 2HB SER 32 2HB SER 32 7.708 24.368 -6.984 260 HG SER 32 HG SER 32 7.358 26.499 -6.215 261 H GLU 33 H GLU 33 8.175 22.102 -6.532 262 HA GLU 33 HA GLU 33 7.427 21.248 -9.066 263 1HB GLU 33 1HB GLU 33 9.061 19.424 -8.749 264 2HB GLU 33 2HB GLU 33 9.669 21.014 -8.339 265 1HG GLU 33 1HG GLU 33 8.503 19.669 -6.038 266 2HG GLU 33 2HG GLU 33 9.810 18.743 -6.748 267 H ASN 34 H ASN 34 5.576 20.314 -9.638 268 HA ASN 34 HA ASN 34 3.958 18.794 -7.863 269 1HB ASN 34 1HB ASN 34 4.074 18.962 -10.865 270 2HB ASN 34 2HB ASN 34 2.849 18.050 -10.005 271 1HD2 ASN 34 2HD2 ASN 34 0.992 19.053 -9.842 272 2HD2 ASN 34 1HD2 ASN 34 0.777 20.783 -9.695 273 H GLN 35 H GLN 35 4.404 16.826 -7.081 274 HA GLN 35 HA GLN 35 4.941 14.581 -8.654 275 1HB GLN 35 1HB GLN 35 7.263 16.079 -8.478 276 2HB GLN 35 2HB GLN 35 7.454 14.897 -7.199 277 1HG GLN 35 1HG GLN 35 8.325 14.106 -9.372 278 2HG GLN 35 2HG GLN 35 7.052 13.091 -8.730 279 1HE2 GLN 35 2HE2 GLN 35 7.969 15.324 -11.258 280 2HE2 GLN 35 1HE2 GLN 35 6.621 14.968 -12.315 281 H TRP 36 H TRP 36 4.630 12.740 -7.466 282 HA TRP 36 HA TRP 36 3.420 12.808 -4.991 283 1HB TRP 36 1HB TRP 36 5.040 10.691 -6.340 284 2HB TRP 36 2HB TRP 36 4.307 10.409 -4.774 285 HD1 TRP 36 HD TRP 36 1.774 9.858 -4.698 286 HE1 TRP 36 1HE TRP 36 -0.054 9.508 -6.474 287 HE3 TRP 36 3HE TRP 36 4.406 11.283 -8.807 288 HZ2 TRP 36 2HZ TRP 36 -0.335 9.762 -9.331 289 HZ3 TRP 36 3HZ TRP 36 3.388 11.118 -11.057 290 HH2 TRP 36 HH TRP 36 1.041 10.371 -11.331 291 H GLY 37 H GLY 37 6.708 11.447 -5.215 292 1HA GLY 37 1HA GLY 37 7.927 13.429 -3.570 293 2HA GLY 37 2HA GLY 37 7.474 12.060 -2.575 294 HA PRO 38 HA PRO 38 10.498 10.160 -5.665 295 1HB PRO 38 1HB PRO 38 11.623 11.716 -7.633 296 2HB PRO 38 2HB PRO 38 10.224 10.690 -7.882 297 1HG PRO 38 1HG PRO 38 10.355 13.607 -7.644 298 2HG PRO 38 2HG PRO 38 9.072 12.610 -8.298 299 1HD PRO 38 1HD PRO 38 9.132 13.891 -5.763 300 2HD PRO 38 2HD PRO 38 7.898 12.807 -6.376 301 H GLN 39 H GLN 39 11.339 13.687 -5.459 302 HA GLN 39 HA GLN 39 14.047 12.978 -4.633 303 1HB GLN 39 1HB GLN 39 12.719 15.660 -4.483 304 2HB GLN 39 2HB GLN 39 14.432 15.313 -4.589 305 1HG GLN 39 1HG GLN 39 13.678 14.094 -6.819 306 2HG GLN 39 2HG GLN 39 12.350 15.232 -6.710 307 1HE2 GLN 39 2HE2 GLN 39 13.990 15.321 -8.874 308 2HE2 GLN 39 1HE2 GLN 39 15.008 16.743 -8.802 309 H GLN 40 H GLN 40 11.205 12.774 -3.037 310 HA GLN 40 HA GLN 40 12.415 13.393 -0.408 311 1HB GLN 40 1HB GLN 40 9.993 14.253 -1.556 312 2HB GLN 40 2HB GLN 40 9.577 13.133 -0.276 313 1HG GLN 40 1HG GLN 40 11.359 14.402 1.112 314 2HG GLN 40 2HG GLN 40 11.195 15.654 -0.102 315 1HE2 GLN 40 2HE2 GLN 40 9.559 17.043 0.002 316 2HE2 GLN 40 1HE2 GLN 40 8.262 16.944 1.172 317 H GLY 41 H GLY 41 11.647 10.893 -2.412 318 1HA GLY 41 1HA GLY 41 12.157 8.804 -0.651 319 2HA GLY 41 2HA GLY 41 10.416 8.981 -0.720 320 HA PRO 42 HA PRO 42 11.615 7.890 -5.146 321 1HB PRO 42 1HB PRO 42 14.263 7.500 -5.797 322 2HB PRO 42 2HB PRO 42 13.382 8.990 -6.064 323 1HG PRO 42 1HG PRO 42 15.440 8.405 -4.041 324 2HG PRO 42 2HG PRO 42 14.848 9.962 -4.583 325 1HD PRO 42 1HD PRO 42 14.161 8.592 -2.164 326 2HD PRO 42 2HD PRO 42 13.523 10.121 -2.736 327 H SER 43 H SER 43 13.198 6.533 -2.433 328 HA SER 43 HA SER 43 13.335 3.847 -3.648 329 1HB SER 43 1HB SER 43 14.351 4.415 -0.916 330 2HB SER 43 2HB SER 43 14.945 3.282 -2.113 331 HG SER 43 HG SER 43 16.345 5.079 -1.836 332 H LEU 44 H LEU 44 10.875 4.205 -3.573 333 HA LEU 44 HA LEU 44 9.923 3.045 -1.013 334 1HB LEU 44 1HB LEU 44 8.924 5.366 -2.540 335 2HB LEU 44 2HB LEU 44 7.722 4.273 -1.883 336 HG LEU 44 HG LEU 44 9.664 4.801 0.149 337 1HD1 LEU 44 1HD1 LEU 44 10.193 6.838 -1.096 338 2HD1 LEU 44 2HD1 LEU 44 8.448 7.267 -1.106 339 3HD1 LEU 44 3HD1 LEU 44 9.352 7.212 0.448 340 1HD2 LEU 44 1HD2 LEU 44 6.813 5.787 -0.105 341 2HD2 LEU 44 2HD2 LEU 44 7.316 4.208 0.591 342 3HD2 LEU 44 3HD2 LEU 44 7.789 5.740 1.404 343 H ARG 45 H ARG 45 9.421 3.401 -4.554 344 HA ARG 45 HA ARG 45 7.527 1.269 -4.739 345 1HB ARG 45 1HB ARG 45 9.456 2.312 -6.792 346 2HB ARG 45 2HB ARG 45 8.086 1.271 -7.120 347 1HG ARG 45 1HG ARG 45 8.094 4.123 -6.221 348 2HG ARG 45 2HG ARG 45 7.313 3.420 -7.624 349 1HD ARG 45 1HD ARG 45 5.957 2.068 -5.824 350 2HD ARG 45 2HD ARG 45 6.446 3.372 -4.762 351 HE ARG 45 HE ARG 45 4.843 4.684 -5.727 352 1HH1 ARG 45 1HH2 ARG 45 5.716 2.192 -8.046 353 2HH1 ARG 45 2HH2 ARG 45 4.551 2.753 -9.224 354 1HH2 ARG 45 1HH1 ARG 45 3.392 5.358 -7.278 355 2HH2 ARG 45 2HH1 ARG 45 3.269 4.502 -8.799 356 H GLU 46 H GLU 46 10.973 1.243 -5.795 357 HA GLU 46 HA GLU 46 11.102 -1.559 -6.020 358 1HB GLU 46 1HB GLU 46 12.953 0.676 -5.927 359 2HB GLU 46 2HB GLU 46 13.637 -0.792 -5.257 360 1HG GLU 46 1HG GLU 46 12.874 -1.998 -7.322 361 2HG GLU 46 2HG GLU 46 12.415 -0.445 -7.992 362 H GLN 47 H GLN 47 11.032 0.379 -3.168 363 HA GLN 47 HA GLN 47 12.053 -1.698 -1.433 364 1HB GLN 47 1HB GLN 47 11.219 1.091 -1.183 365 2HB GLN 47 2HB GLN 47 10.847 0.084 0.202 366 1HG GLN 47 1HG GLN 47 13.287 -0.762 -0.047 367 2HG GLN 47 2HG GLN 47 13.524 0.676 -1.018 368 1HE2 GLN 47 2HE2 GLN 47 11.728 -0.073 1.995 369 2HE2 GLN 47 1HE2 GLN 47 12.438 1.220 2.934 370 H CYS 48 H CYS 48 8.834 -0.146 -1.865 371 HA CYS 48 HA CYS 48 7.460 -2.018 -0.218 372 1HB CYS 48 1HB CYS 48 6.083 -0.312 -0.418 373 2HB CYS 48 2HB CYS 48 6.784 0.193 -1.943 374 H CYS 49 H CYS 49 7.773 -1.732 -3.779 375 HA CYS 49 HA CYS 49 6.351 -3.956 -4.570 376 1HB CYS 49 1HB CYS 49 9.019 -3.074 -5.658 377 2HB CYS 49 2HB CYS 49 7.873 -4.119 -6.475 378 H ASN 50 H ASN 50 9.415 -3.904 -2.828 379 HA ASN 50 HA ASN 50 9.534 -6.840 -2.867 380 1HB ASN 50 1HB ASN 50 11.350 -4.630 -2.363 381 2HB ASN 50 2HB ASN 50 11.460 -5.894 -1.154 382 1HD2 ASN 50 2HD2 ASN 50 11.251 -5.400 -4.655 383 2HD2 ASN 50 1HD2 ASN 50 12.276 -6.749 -5.087 384 H GLU 51 H GLU 51 9.387 -4.227 -0.392 385 HA GLU 51 HA GLU 51 9.093 -5.839 1.846 386 1HB GLU 51 1HB GLU 51 9.120 -3.895 2.897 387 2HB GLU 51 2HB GLU 51 9.143 -3.115 1.328 388 1HG GLU 51 1HG GLU 51 6.621 -3.263 1.360 389 2HG GLU 51 2HG GLU 51 6.758 -3.731 3.044 390 H LEU 52 H LEU 52 6.817 -5.184 -0.614 391 HA LEU 52 HA LEU 52 4.544 -6.092 0.956 392 1HB LEU 52 1HB LEU 52 3.296 -4.921 -0.449 393 2HB LEU 52 2HB LEU 52 4.814 -4.163 -0.881 394 HG LEU 52 HG LEU 52 3.713 -4.558 -2.884 395 1HD1 LEU 52 1HD1 LEU 52 6.041 -5.293 -3.095 396 2HD1 LEU 52 2HD1 LEU 52 5.542 -6.949 -2.604 397 3HD1 LEU 52 3HD1 LEU 52 4.936 -6.245 -4.145 398 1HD2 LEU 52 1HD2 LEU 52 3.154 -7.329 -1.848 399 2HD2 LEU 52 2HD2 LEU 52 1.983 -5.975 -1.994 400 3HD2 LEU 52 3HD2 LEU 52 2.695 -6.710 -3.472 401 H TYR 53 H TYR 53 6.951 -7.314 -1.142 402 HA TYR 53 HA TYR 53 5.385 -9.597 -2.126 403 1HB TYR 53 1HB TYR 53 7.410 -8.013 -3.188 404 2HB TYR 53 2HB TYR 53 8.220 -9.502 -2.747 405 HD1 TYR 53 1HD TYR 53 6.696 -11.691 -3.411 406 HD2 TYR 53 2HD TYR 53 6.761 -7.859 -5.404 407 HE1 TYR 53 1HE TYR 53 5.960 -12.773 -5.528 408 HE2 TYR 53 2HE TYR 53 6.015 -8.946 -7.515 409 HH TYR 53 HH TYR 53 5.292 -10.870 -8.462 410 H GLN 54 H GLN 54 8.171 -8.731 -0.132 411 HA GLN 54 HA GLN 54 9.184 -11.246 0.495 412 1HB GLN 54 1HB GLN 54 10.039 -10.182 2.548 413 2HB GLN 54 2HB GLN 54 10.347 -9.222 1.115 414 1HG GLN 54 1HG GLN 54 8.538 -7.742 1.652 415 2HG GLN 54 2HG GLN 54 8.052 -8.756 2.996 416 1HE2 GLN 54 2HE2 GLN 54 8.465 -7.760 4.858 417 2HE2 GLN 54 1HE2 GLN 54 9.919 -6.856 5.216 418 H GLU 55 H GLU 55 6.304 -9.614 1.583 419 HA GLU 55 HA GLU 55 5.798 -11.471 3.729 420 1HB GLU 55 1HB GLU 55 3.958 -9.512 2.424 421 2HB GLU 55 2HB GLU 55 3.734 -10.293 3.976 422 1HG GLU 55 1HG GLU 55 6.258 -9.047 3.991 423 2HG GLU 55 2HG GLU 55 5.089 -7.891 3.384 424 H ASP 56 H ASP 56 5.997 -12.238 0.712 425 HA ASP 56 HA ASP 56 5.207 -13.927 -0.576 426 1HB ASP 56 1HB ASP 56 4.546 -14.810 1.801 427 2HB ASP 56 2HB ASP 56 2.925 -14.430 1.257 428 H GLN 57 H GLN 57 2.801 -14.662 -1.464 429 HA GLN 57 HA GLN 57 1.601 -12.229 -2.529 430 1HB GLN 57 1HB GLN 57 1.722 -15.051 -3.216 431 2HB GLN 57 2HB GLN 57 0.141 -14.341 -3.478 432 1HG GLN 57 1HG GLN 57 1.618 -14.113 -5.454 433 2HG GLN 57 2HG GLN 57 1.116 -12.564 -4.807 434 1HE2 GLN 57 2HE2 GLN 57 3.738 -14.951 -4.243 435 2HE2 GLN 57 1HE2 GLN 57 5.019 -13.761 -4.181 436 H VAL 58 H VAL 58 0.981 -14.457 -0.029 437 HA VAL 58 HA VAL 58 -1.859 -13.979 0.167 438 HB VAL 58 HB VAL 58 -0.515 -15.021 2.536 439 1HG1 VAL 58 1HG1 VAL 58 -2.952 -15.114 2.201 440 2HG1 VAL 58 2HG1 VAL 58 -2.701 -16.081 0.706 441 3HG1 VAL 58 3HG1 VAL 58 -2.255 -16.767 2.308 442 1HG2 VAL 58 1HG2 VAL 58 -0.360 -16.589 -0.066 443 2HG2 VAL 58 2HG2 VAL 58 1.043 -15.932 0.847 444 3HG2 VAL 58 3HG2 VAL 58 0.025 -17.225 1.571 445 H CYS 59 H CYS 59 0.821 -12.151 0.865 446 HA CYS 59 HA CYS 59 -0.630 -10.521 2.851 447 1HB CYS 59 1HB CYS 59 2.253 -10.873 2.285 448 2HB CYS 59 2HB CYS 59 1.610 -9.595 3.296 449 H VAL 60 H VAL 60 0.256 -10.737 -0.372 450 HA VAL 60 HA VAL 60 0.588 -7.939 -0.911 451 HB VAL 60 HB VAL 60 -0.010 -10.341 -2.575 452 1HG1 VAL 60 1HG1 VAL 60 -1.249 -8.474 -3.606 453 2HG1 VAL 60 2HG1 VAL 60 0.244 -7.476 -3.561 454 3HG1 VAL 60 3HG1 VAL 60 0.174 -8.940 -4.601 455 1HG2 VAL 60 1HG2 VAL 60 2.311 -8.415 -2.356 456 2HG2 VAL 60 2HG2 VAL 60 2.232 -10.078 -1.675 457 3HG2 VAL 60 3HG2 VAL 60 2.233 -9.835 -3.457 458 H CYS 61 H CYS 61 -2.092 -9.837 -0.087 459 HA CYS 61 HA CYS 61 -3.916 -7.910 0.192 460 1HB CYS 61 1HB CYS 61 -3.602 -8.352 -2.642 461 2HB CYS 61 2HB CYS 61 -5.249 -8.586 -2.096 462 HA PRO 62 HA PRO 62 -6.117 -7.698 0.000 463 1HB PRO 62 1HB PRO 62 -7.981 -7.821 1.980 464 2HB PRO 62 2HB PRO 62 -8.317 -8.151 0.292 465 1HG PRO 62 1HG PRO 62 -8.079 -10.040 2.533 466 2HG PRO 62 2HG PRO 62 -8.827 -10.280 0.967 467 1HD PRO 62 1HD PRO 62 -6.247 -11.190 1.819 468 2HD PRO 62 2HD PRO 62 -6.976 -11.390 0.239 469 H THR 63 H THR 63 -4.335 -9.410 2.128 470 HA THR 63 HA THR 63 -4.159 -8.074 4.516 471 HB THR 63 HB THR 63 -1.667 -8.821 3.101 472 HG1 THR 63 1HG THR 63 -2.353 -11.017 3.340 473 1HG2 THR 63 1HG2 THR 63 -1.653 -8.308 5.528 474 2HG2 THR 63 2HG2 THR 63 -2.870 -9.609 5.770 475 3HG2 THR 63 3HG2 THR 63 -1.220 -10.020 5.185 476 H LEU 64 H LEU 64 -2.545 -7.082 1.446 477 HA LEU 64 HA LEU 64 -1.273 -4.776 2.452 478 1HB LEU 64 1HB LEU 64 -1.725 -5.971 -0.017 479 2HB LEU 64 2HB LEU 64 -2.406 -4.364 -0.159 480 HG LEU 64 HG LEU 64 0.224 -4.443 1.096 481 1HD1 LEU 64 1HD1 LEU 64 0.570 -6.255 -0.474 482 2HD1 LEU 64 2HD1 LEU 64 -0.055 -5.222 -1.805 483 3HD1 LEU 64 3HD1 LEU 64 1.481 -4.789 -0.979 484 1HD2 LEU 64 1HD2 LEU 64 -0.899 -2.849 -1.223 485 2HD2 LEU 64 2HD2 LEU 64 -0.850 -2.333 0.498 486 3HD2 LEU 64 3HD2 LEU 64 0.682 -2.557 -0.417 487 H LYS 65 H LYS 65 -4.607 -5.211 1.280 488 HA LYS 65 HA LYS 65 -5.608 -2.659 1.529 489 1HB LYS 65 1HB LYS 65 -6.847 -4.810 0.904 490 2HB LYS 65 2HB LYS 65 -7.149 -4.967 2.622 491 1HG LYS 65 1HG LYS 65 -8.660 -3.287 2.637 492 2HG LYS 65 2HG LYS 65 -7.743 -2.319 1.500 493 1HD LYS 65 1HD LYS 65 -9.836 -2.991 0.476 494 2HD LYS 65 2HD LYS 65 -8.508 -3.800 -0.331 495 1HE LYS 65 1HE LYS 65 -8.951 -5.847 0.871 496 2HE LYS 65 2HE LYS 65 -10.161 -5.053 1.858 497 1HZ LYS 65 1HZ LYS 65 -11.460 -4.690 -0.112 498 2HZ LYS 65 2HZ LYS 65 -10.316 -5.440 -1.045 499 3HZ LYS 65 3HZ LYS 65 -11.158 -6.305 0.089 500 H GLN 66 H GLN 66 -4.550 -4.699 4.199 501 HA GLN 66 HA GLN 66 -5.633 -3.102 6.297 502 1HB GLN 66 1HB GLN 66 -4.447 -5.536 6.148 503 2HB GLN 66 2HB GLN 66 -3.149 -4.568 6.815 504 1HG GLN 66 1HG GLN 66 -4.443 -3.912 8.668 505 2HG GLN 66 2HG GLN 66 -5.937 -4.407 7.903 506 1HE2 GLN 66 2HE2 GLN 66 -3.888 -5.148 10.242 507 2HE2 GLN 66 1HE2 GLN 66 -4.081 -6.885 10.324 508 H ALA 67 H ALA 67 -2.259 -3.361 5.063 509 HA ALA 67 HA ALA 67 -1.320 -1.090 6.452 510 1HB ALA 67 1HB ALA 67 0.172 -2.771 5.532 511 2HB ALA 67 2HB ALA 67 -0.349 -2.330 3.867 512 3HB ALA 67 3HB ALA 67 0.568 -1.149 4.866 513 H ALA 68 H ALA 68 -3.250 -1.328 3.571 514 HA ALA 68 HA ALA 68 -2.868 1.501 2.908 515 1HB ALA 68 1HB ALA 68 -2.787 -0.136 1.106 516 2HB ALA 68 2HB ALA 68 -4.418 -0.731 1.571 517 3HB ALA 68 3HB ALA 68 -4.220 0.933 0.921 518 H LYS 69 H LYS 69 -4.941 -0.461 4.783 519 HA LYS 69 HA LYS 69 -7.399 0.919 4.419 520 1HB LYS 69 1HB LYS 69 -6.435 -1.255 6.023 521 2HB LYS 69 2HB LYS 69 -7.361 -0.149 7.018 522 1HG LYS 69 1HG LYS 69 -8.285 -1.538 4.503 523 2HG LYS 69 2HG LYS 69 -8.885 -1.789 6.130 524 1HD LYS 69 1HD LYS 69 -9.236 0.907 5.814 525 2HD LYS 69 2HD LYS 69 -9.550 0.314 4.197 526 1HE LYS 69 1HE LYS 69 -11.448 -0.758 4.818 527 2HE LYS 69 2HE LYS 69 -10.798 -1.214 6.380 528 1HZ LYS 69 1HZ LYS 69 -11.117 1.034 7.115 529 2HZ LYS 69 2HZ LYS 69 -11.730 1.466 5.638 530 3HZ LYS 69 3HZ LYS 69 -12.552 0.391 6.595 531 H SER 70 H SER 70 -5.364 0.893 7.337 532 HA SER 70 HA SER 70 -6.171 3.657 7.896 533 1HB SER 70 1HB SER 70 -6.111 1.982 9.679 534 2HB SER 70 2HB SER 70 -4.386 1.808 9.436 535 HG SER 70 HG SER 70 -4.891 3.192 11.179 536 H VAL 71 H VAL 71 -4.616 3.180 5.490 537 HA VAL 71 HA VAL 71 -1.909 3.859 5.882 538 HB VAL 71 HB VAL 71 -3.337 3.308 3.755 539 1HG1 VAL 71 1HG1 VAL 71 -4.612 5.352 3.668 540 2HG1 VAL 71 2HG1 VAL 71 -3.092 6.309 3.589 541 3HG1 VAL 71 3HG1 VAL 71 -3.538 5.218 2.232 542 1HG2 VAL 71 1HG2 VAL 71 -0.821 4.956 3.667 543 2HG2 VAL 71 2HG2 VAL 71 -0.939 3.167 3.800 544 3HG2 VAL 71 3HG2 VAL 71 -1.497 3.996 2.305 545 H ARG 72 H ARG 72 -4.782 5.798 6.242 546 HA ARG 72 HA ARG 72 -3.079 8.140 6.832 547 1HB ARG 72 1HB ARG 72 -5.377 7.808 5.103 548 2HB ARG 72 2HB ARG 72 -5.616 9.082 6.283 549 1HG ARG 72 1HG ARG 72 -2.989 9.378 5.318 550 2HG ARG 72 2HG ARG 72 -4.001 9.106 3.914 551 1HD ARG 72 1HD ARG 72 -3.732 11.499 4.582 552 2HD ARG 72 2HD ARG 72 -5.387 10.944 4.442 553 HE ARG 72 HE ARG 72 -4.538 10.695 7.141 554 1HH1 ARG 72 1HH2 ARG 72 -5.237 13.281 4.879 555 2HH1 ARG 72 2HH2 ARG 72 -5.866 14.326 6.135 556 1HH2 ARG 72 1HH1 ARG 72 -5.444 12.034 8.674 557 2HH2 ARG 72 2HH1 ARG 72 -5.978 13.640 8.226 558 H VAL 73 H VAL 73 -6.468 7.338 7.372 559 HA VAL 73 HA VAL 73 -6.136 7.155 10.249 560 HB VAL 73 HB VAL 73 -7.275 9.579 8.954 561 1HG1 VAL 73 1HG1 VAL 73 -9.136 8.709 10.273 562 2HG1 VAL 73 2HG1 VAL 73 -8.052 8.570 11.702 563 3HG1 VAL 73 3HG1 VAL 73 -8.446 10.189 11.027 564 1HG2 VAL 73 1HG2 VAL 73 -5.560 9.157 11.419 565 2HG2 VAL 73 2HG2 VAL 73 -4.987 9.702 9.805 566 3HG2 VAL 73 3HG2 VAL 73 -6.084 10.749 10.770 567 H GLN 74 H GLN 74 -7.114 5.242 10.355 568 HA GLN 74 HA GLN 74 -9.481 4.619 8.859 569 1HB GLN 74 1HB GLN 74 -7.601 3.218 10.383 570 2HB GLN 74 2HB GLN 74 -9.150 2.945 11.154 571 1HG GLN 74 1HG GLN 74 -9.742 2.697 8.479 572 2HG GLN 74 2HG GLN 74 -8.147 1.981 8.592 573 1HE2 GLN 74 2HE2 GLN 74 -8.912 -0.089 8.116 574 2HE2 GLN 74 1HE2 GLN 74 -9.892 -1.002 9.241 575 H GLY 75 H GLY 75 -10.805 6.469 9.340 576 1HA GLY 75 1HA GLY 75 -12.189 6.191 11.970 577 2HA GLY 75 2HA GLY 75 -11.862 7.750 11.243 578 H GLN 76 H GLN 76 -12.548 7.777 8.799 579 HA GLN 76 HA GLN 76 -14.732 6.280 7.877 580 1HB GLN 76 1HB GLN 76 -15.630 7.736 10.012 581 2HB GLN 76 2HB GLN 76 -15.962 8.831 8.685 582 1HG GLN 76 1HG GLN 76 -17.028 6.867 7.489 583 2HG GLN 76 2HG GLN 76 -16.904 5.984 8.996 584 1HE2 GLN 76 2HE2 GLN 76 -18.514 6.210 10.474 585 2HE2 GLN 76 1HE2 GLN 76 -19.746 7.449 10.413 586 H HIS 77 H HIS 77 -12.432 7.275 6.726 587 HA HIS 77 HA HIS 77 -12.706 9.747 5.412 588 1HB HIS 77 1HB HIS 77 -11.223 7.237 4.785 589 2HB HIS 77 2HB HIS 77 -11.158 8.623 3.714 590 HD1 HIS 77 1HD HIS 77 -11.089 10.775 6.132 591 HD2 HIS 77 2HD HIS 77 -8.598 7.422 5.467 592 HE1 HIS 77 1HE HIS 77 -8.980 11.149 7.554 593 HE2 HIS 77 2HE HIS 77 -7.441 9.151 7.060 594 H GLY 78 H GLY 78 -12.555 7.224 3.058 595 1HA GLY 78 1HA GLY 78 -14.418 6.468 1.700 596 2HA GLY 78 2HA GLY 78 -15.302 7.911 2.152 597 HA PRO 79 HA PRO 79 -13.687 9.911 -1.432 598 1HB PRO 79 1HB PRO 79 -12.826 12.396 -0.609 599 2HB PRO 79 2HB PRO 79 -14.494 11.969 -0.929 600 1HG PRO 79 1HG PRO 79 -13.169 12.413 1.649 601 2HG PRO 79 2HG PRO 79 -14.882 12.380 1.284 602 1HD PRO 79 1HD PRO 79 -13.326 10.324 2.482 603 2HD PRO 79 2HD PRO 79 -15.025 10.266 2.056 604 H PHE 80 H PHE 80 -11.562 11.665 -1.872 605 HA PHE 80 HA PHE 80 -9.349 10.896 -2.603 606 1HB PHE 80 1HB PHE 80 -9.532 12.704 -0.236 607 2HB PHE 80 2HB PHE 80 -8.006 12.379 -1.033 608 HD1 PHE 80 1HD PHE 80 -7.833 12.845 -3.552 609 HD2 PHE 80 2HD PHE 80 -10.965 14.383 -0.994 610 HE1 PHE 80 1HE PHE 80 -8.307 14.649 -5.216 611 HE2 PHE 80 2HE PHE 80 -11.424 16.194 -2.650 612 HZ PHE 80 HZ PHE 80 -10.091 16.324 -4.746 613 H GLN 81 H GLN 81 -9.179 11.091 0.936 614 HA GLN 81 HA GLN 81 -7.268 9.035 1.241 615 1HB GLN 81 1HB GLN 81 -9.207 10.065 3.273 616 2HB GLN 81 2HB GLN 81 -7.675 9.272 3.578 617 1HG GLN 81 1HG GLN 81 -6.457 11.098 2.630 618 2HG GLN 81 2HG GLN 81 -7.928 11.844 2.040 619 1HE2 GLN 81 2HE2 GLN 81 -7.945 13.765 3.181 620 2HE2 GLN 81 1HE2 GLN 81 -7.908 13.836 4.929 621 H SER 82 H SER 82 -8.848 7.629 -0.335 622 HA SER 82 HA SER 82 -9.511 5.224 0.722 623 1HB SER 82 1HB SER 82 -11.596 7.192 1.284 624 2HB SER 82 2HB SER 82 -12.157 5.742 0.473 625 HG SER 82 HG SER 82 -12.225 5.556 2.750 626 H THR 83 H THR 83 -10.791 7.807 -1.483 627 HA THR 83 HA THR 83 -11.332 5.685 -3.461 628 HB THR 83 HB THR 83 -12.740 7.852 -2.913 629 HG1 THR 83 1HG THR 83 -13.626 7.600 -4.996 630 1HG2 THR 83 1HG2 THR 83 -11.052 9.504 -3.631 631 2HG2 THR 83 2HG2 THR 83 -11.036 8.748 -5.262 632 3HG2 THR 83 3HG2 THR 83 -12.524 9.560 -4.662 633 H ARG 84 H ARG 84 -9.012 8.186 -2.755 634 HA ARG 84 HA ARG 84 -7.689 7.990 -5.351 635 1HB ARG 84 1HB ARG 84 -7.731 9.902 -3.278 636 2HB ARG 84 2HB ARG 84 -6.089 9.298 -3.382 637 1HG ARG 84 1HG ARG 84 -6.099 11.062 -4.894 638 2HG ARG 84 2HG ARG 84 -6.355 9.662 -5.917 639 1HD ARG 84 1HD ARG 84 -8.887 10.589 -4.955 640 2HD ARG 84 2HD ARG 84 -8.014 11.939 -5.654 641 HE ARG 84 HE ARG 84 -7.983 9.554 -7.298 642 1HH1 ARG 84 1HH2 ARG 84 -9.779 12.456 -6.569 643 2HH1 ARG 84 2HH2 ARG 84 -10.568 12.477 -8.130 644 1HH2 ARG 84 1HH1 ARG 84 -9.003 9.625 -9.287 645 2HH2 ARG 84 2HH1 ARG 84 -10.138 10.909 -9.634 646 H ILE 85 H ILE 85 -7.036 7.128 -1.954 647 HA ILE 85 HA ILE 85 -4.451 6.063 -2.431 648 HB ILE 85 HB ILE 85 -6.414 5.191 -0.338 649 1HG1 ILE 85 1HG1 ILE 85 -6.415 7.445 0.067 650 2HG1 ILE 85 2HG1 ILE 85 -5.038 6.946 1.029 651 1HG2 ILE 85 1HG2 ILE 85 -4.461 3.732 -0.504 652 2HG2 ILE 85 2HG2 ILE 85 -3.381 5.165 -0.377 653 3HG2 ILE 85 3HG2 ILE 85 -4.412 4.689 1.017 654 1HD1 ILE 85 1HD1 ILE 85 -3.493 7.662 -0.769 655 2HD1 ILE 85 2HD1 ILE 85 -4.907 8.173 -1.756 656 3HD1 ILE 85 3HD1 ILE 85 -4.535 9.018 -0.213 657 H TYR 86 H TYR 86 -7.673 4.703 -2.749 658 HA TYR 86 HA TYR 86 -6.720 2.064 -3.418 659 1HB TYR 86 1HB TYR 86 -9.247 3.595 -3.296 660 2HB TYR 86 2HB TYR 86 -9.225 2.112 -4.228 661 HD1 TYR 86 1HD TYR 86 -10.093 0.283 -3.155 662 HD2 TYR 86 2HD TYR 86 -7.926 3.241 -0.878 663 HE1 TYR 86 1HE TYR 86 -10.412 -1.079 -1.094 664 HE2 TYR 86 2HE TYR 86 -8.271 1.905 1.197 665 HH TYR 86 HH TYR 86 -9.200 0.082 2.069 666 H GLN 87 H GLN 87 -7.306 5.039 -5.201 667 HA GLN 87 HA GLN 87 -7.332 3.704 -7.793 668 1HB GLN 87 1HB GLN 87 -7.889 6.351 -6.712 669 2HB GLN 87 2HB GLN 87 -7.037 6.389 -8.242 670 1HG GLN 87 1HG GLN 87 -8.788 5.541 -9.396 671 2HG GLN 87 2HG GLN 87 -9.268 4.480 -8.087 672 1HE2 GLN 87 2HE2 GLN 87 -11.446 4.967 -8.482 673 2HE2 GLN 87 1HE2 GLN 87 -12.137 6.503 -8.006 674 H ILE 88 H ILE 88 -4.964 4.991 -5.661 675 HA ILE 88 HA ILE 88 -2.990 5.209 -7.857 676 HB ILE 88 HB ILE 88 -2.724 6.206 -5.034 677 1HG1 ILE 88 1HG1 ILE 88 -3.236 8.021 -7.363 678 2HG1 ILE 88 2HG1 ILE 88 -4.582 7.337 -6.475 679 1HG2 ILE 88 1HG2 ILE 88 -0.606 5.823 -6.245 680 2HG2 ILE 88 2HG2 ILE 88 -1.212 6.835 -7.602 681 3HG2 ILE 88 3HG2 ILE 88 -0.895 7.580 -5.996 682 1HD1 ILE 88 1HD1 ILE 88 -3.697 8.279 -4.366 683 2HD1 ILE 88 2HD1 ILE 88 -2.315 8.980 -5.279 684 3HD1 ILE 88 3HD1 ILE 88 -3.988 9.566 -5.588 685 H ALA 89 H ALA 89 -3.907 3.533 -4.860 686 HA ALA 89 HA ALA 89 -1.474 1.922 -4.942 687 1HB ALA 89 1HB ALA 89 -2.483 2.504 -2.813 688 2HB ALA 89 2HB ALA 89 -4.009 1.696 -3.313 689 3HB ALA 89 3HB ALA 89 -2.518 0.723 -3.064 690 H LYS 90 H LYS 90 -3.899 2.008 -7.029 691 HA LYS 90 HA LYS 90 -4.306 -0.892 -7.292 692 1HB LYS 90 1HB LYS 90 -5.936 -0.303 -8.931 693 2HB LYS 90 2HB LYS 90 -6.171 0.704 -7.518 694 1HG LYS 90 1HG LYS 90 -6.286 2.368 -8.990 695 2HG LYS 90 2HG LYS 90 -4.537 2.258 -8.996 696 1HD LYS 90 1HD LYS 90 -4.525 0.997 -10.997 697 2HD LYS 90 2HD LYS 90 -6.247 0.690 -10.900 698 1HE LYS 90 1HE LYS 90 -5.704 2.407 -12.587 699 2HE LYS 90 2HE LYS 90 -6.726 3.034 -11.310 700 1HZ LYS 90 1HZ LYS 90 -4.790 3.971 -10.287 701 2HZ LYS 90 2HZ LYS 90 -3.825 3.378 -11.494 702 3HZ LYS 90 3HZ LYS 90 -4.958 4.535 -11.835 703 H ASN 91 H ASN 91 -2.468 1.738 -8.713 704 HA ASN 91 HA ASN 91 -1.518 0.081 -10.902 705 1HB ASN 91 1HB ASN 91 -0.035 2.021 -11.333 706 2HB ASN 91 2HB ASN 91 -1.750 2.383 -11.353 707 1HD2 ASN 91 2HD2 ASN 91 -2.284 4.180 -10.430 708 2HD2 ASN 91 1HD2 ASN 91 -1.478 4.908 -9.058 709 H LEU 92 H LEU 92 -0.960 -0.239 -7.773 710 HA LEU 92 HA LEU 92 1.906 -0.392 -7.676 711 1HB LEU 92 1HB LEU 92 -0.365 -0.889 -5.909 712 2HB LEU 92 2HB LEU 92 0.980 -1.983 -5.656 713 HG LEU 92 HG LEU 92 1.152 1.006 -5.645 714 1HD1 LEU 92 1HD1 LEU 92 -0.172 0.182 -3.759 715 2HD1 LEU 92 2HD1 LEU 92 1.127 -0.993 -3.355 716 3HD1 LEU 92 3HD1 LEU 92 1.427 0.772 -3.188 717 1HD2 LEU 92 1HD2 LEU 92 3.227 -1.091 -4.933 718 2HD2 LEU 92 2HD2 LEU 92 3.249 -0.027 -6.381 719 3HD2 LEU 92 3HD2 LEU 92 3.422 0.686 -4.740 720 HA PRO 93 HA PRO 93 1.297 -5.052 -8.338 721 1HB PRO 93 1HB PRO 93 -1.200 -6.026 -8.950 722 2HB PRO 93 2HB PRO 93 -0.511 -6.013 -7.340 723 1HG PRO 93 1HG PRO 93 -2.648 -4.320 -8.449 724 2HG PRO 93 2HG PRO 93 -2.250 -4.629 -6.771 725 1HD PRO 93 1HD PRO 93 -1.575 -2.341 -8.315 726 2HD PRO 93 2HD PRO 93 -1.116 -2.684 -6.660 727 H ASN 94 H ASN 94 0.124 -2.566 -10.252 728 HA ASN 94 HA ASN 94 -0.049 -4.067 -12.744 729 1HB ASN 94 1HB ASN 94 -0.088 -1.165 -11.993 730 2HB ASN 94 2HB ASN 94 -0.073 -1.690 -13.666 731 1HD2 ASN 94 2HD2 ASN 94 -2.124 -0.148 -12.793 732 2HD2 ASN 94 1HD2 ASN 94 -3.586 -1.097 -12.661 733 H VAL 95 H VAL 95 2.259 -2.019 -11.037 734 HA VAL 95 HA VAL 95 4.248 -2.478 -13.193 735 HB VAL 95 HB VAL 95 4.387 -0.394 -11.048 736 1HG1 VAL 95 1HG1 VAL 95 6.528 -0.938 -12.118 737 2HG1 VAL 95 2HG1 VAL 95 5.785 -0.665 -13.732 738 3HG1 VAL 95 3HG1 VAL 95 5.977 0.707 -12.586 739 1HG2 VAL 95 1HG2 VAL 95 3.295 -0.076 -13.875 740 2HG2 VAL 95 2HG2 VAL 95 2.334 0.024 -12.358 741 3HG2 VAL 95 3HG2 VAL 95 3.589 1.263 -12.710 742 H CYS 96 H CYS 96 3.320 -3.461 -10.158 743 HA CYS 96 HA CYS 96 5.960 -4.661 -9.649 744 1HB CYS 96 1HB CYS 96 4.161 -3.455 -7.547 745 2HB CYS 96 2HB CYS 96 5.621 -4.369 -7.226 746 H ASN 97 H ASN 97 3.929 -5.850 -11.162 747 HA ASN 97 HA ASN 97 1.943 -7.327 -10.219 748 1HB ASN 97 1HB ASN 97 4.215 -8.106 -11.963 749 2HB ASN 97 2HB ASN 97 3.073 -9.341 -11.472 750 1HD2 ASN 97 2HD2 ASN 97 3.351 -6.168 -12.986 751 2HD2 ASN 97 1HD2 ASN 97 1.927 -6.325 -13.990 752 H MET 98 H MET 98 1.739 -7.937 -8.153 753 HA MET 98 HA MET 98 3.762 -9.801 -7.088 754 1HB MET 98 1HB MET 98 3.565 -8.758 -4.882 755 2HB MET 98 2HB MET 98 4.217 -7.657 -6.079 756 1HG MET 98 1HG MET 98 1.419 -7.396 -6.173 757 2HG MET 98 2HG MET 98 1.866 -7.389 -4.478 758 1HE MET 98 1HE MET 98 0.368 -4.929 -5.370 759 2HE MET 98 2HE MET 98 1.206 -5.033 -3.783 760 3HE MET 98 3HE MET 98 1.434 -3.587 -4.827 761 H LYS 99 H LYS 99 0.993 -9.892 -8.376 762 HA LYS 99 HA LYS 99 -0.018 -11.902 -6.550 763 1HB LYS 99 1HB LYS 99 -1.208 -10.293 -5.463 764 2HB LYS 99 2HB LYS 99 -1.292 -9.250 -6.868 765 1HG LYS 99 1HG LYS 99 -2.733 -11.788 -7.151 766 2HG LYS 99 2HG LYS 99 -3.372 -10.721 -5.917 767 1HD LYS 99 1HD LYS 99 -2.697 -9.400 -8.463 768 2HD LYS 99 2HD LYS 99 -4.016 -10.548 -8.560 769 1HE LYS 99 1HE LYS 99 -5.275 -8.802 -7.885 770 2HE LYS 99 2HE LYS 99 -4.663 -9.211 -6.294 771 1HZ LYS 99 1HZ LYS 99 -2.893 -7.646 -6.625 772 2HZ LYS 99 2HZ LYS 99 -3.472 -7.261 -8.128 773 3HZ LYS 99 3HZ LYS 99 -4.362 -6.898 -6.782 774 H GLN 100 H GLN 100 0.429 -13.396 -8.120 775 HA GLN 100 HA GLN 100 -0.812 -12.950 -10.749 776 1HB GLN 100 1HB GLN 100 1.522 -13.937 -10.288 777 2HB GLN 100 2HB GLN 100 0.653 -15.422 -9.958 778 1HG GLN 100 1HG GLN 100 -0.084 -13.948 -12.427 779 2HG GLN 100 2HG GLN 100 1.468 -14.761 -12.425 780 1HE2 GLN 100 2HE2 GLN 100 1.430 -17.095 -11.718 781 2HE2 GLN 100 1HE2 GLN 100 0.084 -18.064 -12.275 782 H ILE 101 H ILE 101 -2.768 -12.981 -8.864 783 HA ILE 101 HA ILE 101 -4.248 -15.391 -9.564 784 HB ILE 101 HB ILE 101 -3.190 -16.288 -7.675 785 1HG1 ILE 101 1HG1 ILE 101 -5.141 -16.344 -5.967 786 2HG1 ILE 101 2HG1 ILE 101 -5.989 -15.396 -7.172 787 1HG2 ILE 101 1HG2 ILE 101 -2.241 -14.290 -6.632 788 2HG2 ILE 101 2HG2 ILE 101 -3.883 -13.792 -6.092 789 3HG2 ILE 101 3HG2 ILE 101 -3.129 -15.282 -5.424 790 1HD1 ILE 101 1HD1 ILE 101 -5.586 -17.150 -8.869 791 2HD1 ILE 101 2HD1 ILE 101 -4.715 -18.123 -7.633 792 3HD1 ILE 101 3HD1 ILE 101 -6.474 -17.803 -7.449 793 H GLY 102 H GLY 102 -4.379 -12.731 -7.162 794 1HA GLY 102 1HA GLY 102 -5.868 -10.822 -7.752 795 2HA GLY 102 2HA GLY 102 -7.011 -12.005 -8.352 796 H THR 103 H THR 103 -5.354 -10.849 -5.478 797 HA THR 103 HA THR 103 -7.179 -12.330 -3.710 798 HB THR 103 HB THR 103 -5.314 -10.613 -2.362 799 HG1 THR 103 1HG THR 103 -3.406 -11.590 -3.169 800 1HG2 THR 103 1HG2 THR 103 -6.269 -12.666 -1.402 801 2HG2 THR 103 2HG2 THR 103 -5.423 -13.633 -2.662 802 3HG2 THR 103 3HG2 THR 103 -4.472 -12.733 -1.430 803 H CYS 104 H CYS 104 -6.129 -8.963 -4.342 804 HA CYS 104 HA CYS 104 -8.863 -8.124 -3.567 805 1HB CYS 104 1HB CYS 104 -8.016 -6.180 -2.546 806 2HB CYS 104 2HB CYS 104 -7.083 -7.529 -1.928 807 HA PRO 105 HA PRO 105 -7.889 -6.893 -7.911 808 1HB PRO 105 1HB PRO 105 -9.976 -8.178 -9.158 809 2HB PRO 105 2HB PRO 105 -8.357 -8.827 -8.998 810 1HG PRO 105 1HG PRO 105 -10.808 -9.600 -7.567 811 2HG PRO 105 2HG PRO 105 -9.315 -10.497 -7.754 812 1HD PRO 105 1HD PRO 105 -10.172 -9.030 -5.472 813 2HD PRO 105 2HD PRO 105 -8.637 -9.847 -5.696 814 H PHE 106 H PHE 106 -8.886 -5.276 -6.057 815 HA PHE 106 HA PHE 106 -11.497 -4.281 -6.898 816 1HB PHE 106 1HB PHE 106 -11.410 -2.973 -4.968 817 2HB PHE 106 2HB PHE 106 -10.663 -4.492 -4.513 818 HD1 PHE 106 1HD PHE 106 -8.317 -4.608 -3.865 819 HD2 PHE 106 2HD PHE 106 -10.021 -0.925 -5.292 820 HE1 PHE 106 1HE PHE 106 -6.284 -3.377 -3.130 821 HE2 PHE 106 2HE PHE 106 -7.965 0.287 -4.631 822 HZ PHE 106 HZ PHE 106 -6.114 -0.919 -3.497 823 H ILE 107 H ILE 107 -8.480 -4.018 -8.180 824 HA ILE 107 HA ILE 107 -7.898 -1.341 -8.470 825 HB ILE 107 HB ILE 107 -7.190 -2.086 -10.848 826 1HG1 ILE 107 1HG1 ILE 107 -7.388 -4.836 -9.702 827 2HG1 ILE 107 2HG1 ILE 107 -8.730 -4.175 -10.615 828 1HG2 ILE 107 1HG2 ILE 107 -5.641 -1.711 -9.000 829 2HG2 ILE 107 2HG2 ILE 107 -6.027 -3.339 -8.344 830 3HG2 ILE 107 3HG2 ILE 107 -5.181 -3.185 -9.922 831 1HD1 ILE 107 1HD1 ILE 107 -7.243 -3.765 -12.544 832 2HD1 ILE 107 2HD1 ILE 107 -5.867 -4.443 -11.606 833 3HD1 ILE 107 3HD1 ILE 107 -7.246 -5.500 -12.072 834 H ALA 108 H ALA 108 -10.323 -3.169 -10.317 835 HA ALA 108 HA ALA 108 -11.190 -0.984 -11.931 836 1HB ALA 108 1HB ALA 108 -11.500 -3.301 -12.620 837 2HB ALA 108 2HB ALA 108 -12.536 -3.599 -11.181 838 3HB ALA 108 3HB ALA 108 -13.093 -2.480 -12.472 839 H ILE 109 H ILE 109 -11.111 0.497 -9.993 840 HA ILE 109 HA ILE 109 -13.698 0.593 -8.573 841 HB ILE 109 HB ILE 109 -12.288 2.303 -7.176 842 1HG1 ILE 109 1HG1 ILE 109 -10.123 0.383 -7.940 843 2HG1 ILE 109 2HG1 ILE 109 -10.291 1.961 -8.680 844 1HG2 ILE 109 1HG2 ILE 109 -13.448 0.377 -6.245 845 2HG2 ILE 109 2HG2 ILE 109 -12.139 -0.707 -6.832 846 3HG2 ILE 109 3HG2 ILE 109 -11.794 0.505 -5.550 847 1HD1 ILE 109 1HD1 ILE 109 -10.145 3.028 -6.490 848 2HD1 ILE 109 2HD1 ILE 109 -9.973 1.406 -5.732 849 3HD1 ILE 109 3HD1 ILE 109 -8.696 2.022 -6.838 Start of MODEL 4 1 1H GLN 1 1H GLN 1 -8.637 -11.923 5.614 2 2H GLN 1 2H GLN 1 -7.819 -11.786 4.182 3 3H GLN 1 3H GLN 1 -9.406 -11.326 4.276 4 HA GLN 1 HA GLN 1 -10.062 -13.568 4.727 5 1HB GLN 1 1HB GLN 1 -9.050 -12.562 2.251 6 2HB GLN 1 2HB GLN 1 -8.787 -14.293 2.340 7 1HG GLN 1 1HG GLN 1 -11.449 -13.336 3.177 8 2HG GLN 1 2HG GLN 1 -11.078 -13.201 1.470 9 1HE2 GLN 1 2HE2 GLN 1 -12.176 -14.839 0.532 10 2HE2 GLN 1 1HE2 GLN 1 -12.038 -16.521 0.990 11 HA PRO 2 HA PRO 2 -6.223 -16.296 4.479 12 1HB PRO 2 1HB PRO 2 -3.761 -15.075 4.181 13 2HB PRO 2 2HB PRO 2 -4.683 -15.796 2.876 14 1HG PRO 2 1HG PRO 2 -4.184 -12.960 3.427 15 2HG PRO 2 2HG PRO 2 -4.767 -13.708 1.953 16 1HD PRO 2 1HD PRO 2 -6.288 -12.329 3.897 17 2HD PRO 2 2HD PRO 2 -6.883 -13.176 2.483 18 H GLN 3 H GLN 3 -6.429 -16.688 6.717 19 HA GLN 3 HA GLN 3 -5.562 -14.750 8.653 20 1HB GLN 3 1HB GLN 3 -7.232 -16.883 8.744 21 2HB GLN 3 2HB GLN 3 -5.818 -17.508 9.568 22 1HG GLN 3 1HG GLN 3 -6.552 -16.471 11.416 23 2HG GLN 3 2HG GLN 3 -6.188 -14.950 10.627 24 1HE2 GLN 3 2HE2 GLN 3 -8.667 -17.147 11.637 25 2HE2 GLN 3 1HE2 GLN 3 -10.037 -16.186 11.128 26 H LYS 4 H LYS 4 -4.145 -17.667 7.270 27 HA LYS 4 HA LYS 4 -1.904 -17.837 8.967 28 1HB LYS 4 1HB LYS 4 -2.874 -19.213 6.765 29 2HB LYS 4 2HB LYS 4 -1.288 -18.648 6.281 30 1HG LYS 4 1HG LYS 4 -1.572 -19.869 8.972 31 2HG LYS 4 2HG LYS 4 -1.601 -20.931 7.579 32 1HD LYS 4 1HD LYS 4 0.554 -20.066 6.848 33 2HD LYS 4 2HD LYS 4 0.578 -18.944 8.194 34 1HE LYS 4 1HE LYS 4 0.173 -21.730 8.986 35 2HE LYS 4 2HE LYS 4 1.713 -21.432 8.206 36 1HZ LYS 4 1HZ LYS 4 2.119 -19.693 9.781 37 2HZ LYS 4 2HZ LYS 4 0.663 -19.974 10.517 38 3HZ LYS 4 3HZ LYS 4 1.849 -21.129 10.560 39 H CYS 5 H CYS 5 -2.636 -15.498 6.618 40 HA CYS 5 HA CYS 5 0.101 -14.402 6.717 41 1HB CYS 5 1HB CYS 5 -1.722 -14.758 4.577 42 2HB CYS 5 2HB CYS 5 -1.464 -13.040 4.811 43 H GLN 6 H GLN 6 -3.331 -13.438 6.921 44 HA GLN 6 HA GLN 6 -2.921 -10.801 7.756 45 1HB GLN 6 1HB GLN 6 -5.154 -12.711 8.278 46 2HB GLN 6 2HB GLN 6 -5.145 -11.109 8.987 47 1HG GLN 6 1HG GLN 6 -4.873 -10.170 6.689 48 2HG GLN 6 2HG GLN 6 -5.082 -11.789 6.055 49 1HE2 GLN 6 2HE2 GLN 6 -7.176 -12.826 7.530 50 2HE2 GLN 6 1HE2 GLN 6 -8.606 -11.858 7.239 51 H ARG 7 H ARG 7 -2.441 -13.724 9.514 52 HA ARG 7 HA ARG 7 -2.088 -12.336 12.070 53 1HB ARG 7 1HB ARG 7 -3.284 -14.629 11.709 54 2HB ARG 7 2HB ARG 7 -1.649 -15.257 11.655 55 1HG ARG 7 1HG ARG 7 -1.475 -13.731 13.862 56 2HG ARG 7 2HG ARG 7 -3.173 -14.156 13.930 57 1HD ARG 7 1HD ARG 7 -2.136 -16.563 13.375 58 2HD ARG 7 2HD ARG 7 -0.787 -15.860 14.244 59 HE ARG 7 HE ARG 7 -2.979 -15.288 15.809 60 1HH1 ARG 7 1HH2 ARG 7 -1.505 -18.251 14.648 61 2HH1 ARG 7 2HH2 ARG 7 -2.115 -19.191 15.991 62 1HH2 ARG 7 1HH1 ARG 7 -3.763 -16.548 17.487 63 2HH2 ARG 7 2HH1 ARG 7 -3.363 -18.249 17.561 64 H GLU 8 H GLU 8 -0.225 -12.766 9.433 65 HA GLU 8 HA GLU 8 2.277 -13.029 11.010 66 1HB GLU 8 1HB GLU 8 1.406 -14.450 8.651 67 2HB GLU 8 2HB GLU 8 2.945 -13.655 8.393 68 1HG GLU 8 1HG GLU 8 2.817 -14.936 10.994 69 2HG GLU 8 2HG GLU 8 2.539 -16.079 9.695 70 H PHE 9 H PHE 9 0.654 -11.453 8.366 71 HA PHE 9 HA PHE 9 2.678 -9.548 7.738 72 1HB PHE 9 1HB PHE 9 1.076 -9.953 6.089 73 2HB PHE 9 2HB PHE 9 -0.250 -9.870 7.232 74 HD1 PHE 9 1HD PHE 9 -0.787 -7.517 8.253 75 HD2 PHE 9 2HD PHE 9 1.426 -8.229 4.637 76 HE1 PHE 9 1HE PHE 9 -1.072 -5.133 7.637 77 HE2 PHE 9 2HE PHE 9 0.888 -5.933 3.888 78 HZ PHE 9 HZ PHE 9 -0.253 -4.339 5.419 79 H GLN 10 H GLN 10 -0.215 -9.576 9.827 80 HA GLN 10 HA GLN 10 0.454 -6.845 10.666 81 1HB GLN 10 1HB GLN 10 -1.973 -8.053 10.230 82 2HB GLN 10 2HB GLN 10 -1.839 -8.010 11.976 83 1HG GLN 10 1HG GLN 10 -0.922 -5.508 11.144 84 2HG GLN 10 2HG GLN 10 -2.308 -5.829 10.121 85 1HE2 GLN 10 2HE2 GLN 10 -4.067 -7.191 11.696 86 2HE2 GLN 10 1HE2 GLN 10 -4.511 -6.225 13.085 87 H GLN 11 H GLN 11 1.003 -10.012 11.644 88 HA GLN 11 HA GLN 11 0.895 -9.990 14.373 89 1HB GLN 11 1HB GLN 11 1.917 -11.668 12.513 90 2HB GLN 11 2HB GLN 11 3.390 -11.081 13.256 91 1HG GLN 11 1HG GLN 11 1.451 -11.633 15.290 92 2HG GLN 11 2HG GLN 11 1.613 -13.036 14.252 93 1HE2 GLN 11 2HE2 GLN 11 2.804 -11.492 16.957 94 2HE2 GLN 11 1HE2 GLN 11 4.346 -12.310 17.073 95 H GLU 12 H GLU 12 3.602 -8.838 12.389 96 HA GLU 12 HA GLU 12 4.285 -6.673 14.029 97 1HB GLU 12 1HB GLU 12 6.516 -7.768 14.862 98 2HB GLU 12 2HB GLU 12 5.039 -7.828 15.803 99 1HG GLU 12 1HG GLU 12 4.644 -10.077 15.236 100 2HG GLU 12 2HG GLU 12 5.812 -10.038 13.933 101 H GLN 13 H GLN 13 4.099 -7.539 11.224 102 HA GLN 13 HA GLN 13 6.572 -6.340 10.272 103 1HB GLN 13 1HB GLN 13 6.050 -9.202 10.095 104 2HB GLN 13 2HB GLN 13 6.456 -8.465 8.559 105 1HG GLN 13 1HG GLN 13 8.475 -7.510 9.525 106 2HG GLN 13 2HG GLN 13 8.059 -8.176 11.091 107 1HE2 GLN 13 2HE2 GLN 13 10.433 -8.835 10.459 108 2HE2 GLN 13 1HE2 GLN 13 10.564 -10.457 9.819 109 H HIS 14 H HIS 14 4.228 -5.116 10.314 110 HA HIS 14 HA HIS 14 2.670 -5.607 7.962 111 1HB HIS 14 1HB HIS 14 2.500 -2.914 9.069 112 2HB HIS 14 2HB HIS 14 1.237 -4.079 8.731 113 HD1 HIS 14 1HD HIS 14 1.388 -2.281 11.429 114 HD2 HIS 14 2HD HIS 14 2.572 -6.291 10.929 115 HE1 HIS 14 1HE HIS 14 1.380 -3.366 13.766 116 HE2 HIS 14 2HE HIS 14 2.016 -5.811 13.442 117 H LEU 15 H LEU 15 2.360 -2.999 6.909 118 HA LEU 15 HA LEU 15 4.979 -2.701 5.581 119 1HB LEU 15 1HB LEU 15 2.409 -1.960 4.270 120 2HB LEU 15 2HB LEU 15 3.965 -2.299 3.538 121 HG LEU 15 HG LEU 15 1.980 -4.206 4.670 122 1HD1 LEU 15 1HD1 LEU 15 1.600 -3.528 2.400 123 2HD1 LEU 15 2HD1 LEU 15 3.292 -3.956 1.969 124 3HD1 LEU 15 3HD1 LEU 15 2.133 -5.245 2.446 125 1HD2 LEU 15 1HD2 LEU 15 4.808 -4.964 3.894 126 2HD2 LEU 15 2HD2 LEU 15 4.105 -5.029 5.548 127 3HD2 LEU 15 3HD2 LEU 15 3.472 -6.111 4.259 128 H ARG 16 H ARG 16 5.359 -0.579 4.641 129 HA ARG 16 HA ARG 16 4.117 1.644 6.044 130 1HB ARG 16 1HB ARG 16 7.054 1.069 6.291 131 2HB ARG 16 2HB ARG 16 6.283 2.575 6.748 132 1HG ARG 16 1HG ARG 16 5.565 -0.097 7.923 133 2HG ARG 16 2HG ARG 16 6.706 1.016 8.650 134 1HD ARG 16 1HD ARG 16 4.789 2.752 8.538 135 2HD ARG 16 2HD ARG 16 3.738 1.377 8.264 136 HE ARG 16 HE ARG 16 5.054 2.127 10.739 137 1HH1 ARG 16 1HH2 ARG 16 3.539 -0.557 9.003 138 2HH1 ARG 16 2HH2 ARG 16 3.263 -1.456 10.478 139 1HH2 ARG 16 1HH1 ARG 16 4.687 0.904 12.573 140 2HH2 ARG 16 2HH1 ARG 16 3.894 -0.649 12.430 141 H ALA 17 H ALA 17 7.180 1.190 4.274 142 HA ALA 17 HA ALA 17 7.134 3.433 2.774 143 1HB ALA 17 1HB ALA 17 8.964 1.817 2.690 144 2HB ALA 17 2HB ALA 17 7.914 0.671 1.786 145 3HB ALA 17 3HB ALA 17 8.409 2.225 1.030 146 H CYS 18 H CYS 18 5.508 0.415 1.722 147 HA CYS 18 HA CYS 18 4.257 1.403 -0.557 148 1HB CYS 18 1HB CYS 18 4.153 -0.960 0.937 149 2HB CYS 18 2HB CYS 18 2.498 -0.423 0.731 150 H GLN 19 H GLN 19 2.814 1.119 2.648 151 HA GLN 19 HA GLN 19 0.740 2.997 1.949 152 1HB GLN 19 1HB GLN 19 -0.151 2.524 4.100 153 2HB GLN 19 2HB GLN 19 0.294 1.038 3.282 154 1HG GLN 19 1HG GLN 19 1.261 0.484 5.223 155 2HG GLN 19 2HG GLN 19 2.546 1.565 4.723 156 1HE2 GLN 19 2HE2 GLN 19 -0.724 2.041 6.074 157 2HE2 GLN 19 1HE2 GLN 19 -0.218 3.049 7.410 158 H GLN 20 H GLN 20 3.412 4.085 1.824 159 HA GLN 20 HA GLN 20 3.120 6.272 3.739 160 1HB GLN 20 1HB GLN 20 5.504 4.539 3.445 161 2HB GLN 20 2HB GLN 20 5.675 6.219 3.914 162 1HG GLN 20 1HG GLN 20 3.645 4.753 5.431 163 2HG GLN 20 2HG GLN 20 5.272 4.140 5.637 164 1HE2 GLN 20 2HE2 GLN 20 5.654 4.718 7.705 165 2HE2 GLN 20 1HE2 GLN 20 5.696 6.379 8.253 166 H TRP 21 H TRP 21 4.863 5.071 0.897 167 HA TRP 21 HA TRP 21 5.595 7.585 -0.108 168 1HB TRP 21 1HB TRP 21 6.000 6.524 -2.147 169 2HB TRP 21 2HB TRP 21 6.350 5.331 -0.913 170 HD1 TRP 21 HD TRP 21 5.245 3.046 -1.122 171 HE1 TRP 21 1HE TRP 21 3.318 2.050 -2.604 172 HE3 TRP 21 3HE TRP 21 3.886 7.272 -3.611 173 HZ2 TRP 21 2HZ TRP 21 1.494 3.034 -4.577 174 HZ3 TRP 21 3HZ TRP 21 2.077 7.244 -5.321 175 HH2 TRP 21 HH TRP 21 1.007 5.067 -5.932 176 H ILE 22 H ILE 22 2.524 5.937 0.002 177 HA ILE 22 HA ILE 22 1.200 7.523 -1.954 178 HB ILE 22 HB ILE 22 -0.032 6.234 0.451 179 1HG1 ILE 22 1HG1 ILE 22 0.495 5.031 -2.244 180 2HG1 ILE 22 2HG1 ILE 22 1.344 4.625 -0.766 181 1HG2 ILE 22 1HG2 ILE 22 -1.471 7.818 -0.720 182 2HG2 ILE 22 2HG2 ILE 22 -1.120 6.986 -2.274 183 3HG2 ILE 22 3HG2 ILE 22 -2.037 6.132 -0.984 184 1HD1 ILE 22 1HD1 ILE 22 -0.746 3.760 0.225 185 2HD1 ILE 22 2HD1 ILE 22 -1.618 4.178 -1.291 186 3HD1 ILE 22 3HD1 ILE 22 -0.339 2.914 -1.308 187 H ARG 23 H ARG 23 2.207 8.206 1.316 188 HA ARG 23 HA ARG 23 0.597 10.594 1.545 189 1HB ARG 23 1HB ARG 23 2.981 9.648 3.090 190 2HB ARG 23 2HB ARG 23 2.126 11.139 3.431 191 1HG ARG 23 1HG ARG 23 0.701 9.956 4.691 192 2HG ARG 23 2HG ARG 23 0.143 9.170 3.228 193 1HD ARG 23 1HD ARG 23 1.286 7.257 3.664 194 2HD ARG 23 2HD ARG 23 2.649 8.110 4.357 195 HE ARG 23 HE ARG 23 0.400 6.992 5.737 196 1HH1 ARG 23 1HH2 ARG 23 2.870 9.461 5.987 197 2HH1 ARG 23 2HH2 ARG 23 2.695 9.578 7.724 198 1HH2 ARG 23 1HH1 ARG 23 0.182 7.205 7.925 199 2HH2 ARG 23 2HH1 ARG 23 1.201 8.324 8.801 200 H GLN 24 H GLN 24 3.224 9.928 -0.415 201 HA GLN 24 HA GLN 24 4.493 12.497 -0.327 202 1HB GLN 24 1HB GLN 24 4.514 10.317 -2.397 203 2HB GLN 24 2HB GLN 24 5.466 11.784 -2.515 204 1HG GLN 24 1HG GLN 24 6.130 11.091 -0.035 205 2HG GLN 24 2HG GLN 24 5.745 9.495 -0.647 206 1HE2 GLN 24 2HE2 GLN 24 7.500 12.440 -1.592 207 2HE2 GLN 24 1HE2 GLN 24 8.867 11.611 -2.303 208 H GLN 25 H GLN 25 1.692 11.232 -2.009 209 HA GLN 25 HA GLN 25 1.503 13.267 -3.982 210 1HB GLN 25 1HB GLN 25 -0.856 12.619 -4.147 211 2HB GLN 25 2HB GLN 25 0.213 11.230 -4.150 212 1HG GLN 25 1HG GLN 25 -1.088 10.369 -2.582 213 2HG GLN 25 2HG GLN 25 -0.390 11.552 -1.494 214 1HE2 GLN 25 2HE2 GLN 25 -2.588 10.775 -0.483 215 2HE2 GLN 25 1HE2 GLN 25 -3.940 11.828 -0.836 216 H LEU 26 H LEU 26 1.287 13.580 -0.626 217 HA LEU 26 HA LEU 26 -0.670 15.688 -0.552 218 1HB LEU 26 1HB LEU 26 1.277 14.641 1.490 219 2HB LEU 26 2HB LEU 26 0.120 15.916 1.811 220 HG LEU 26 HG LEU 26 -0.481 13.619 2.634 221 1HD1 LEU 26 1HD1 LEU 26 -2.162 15.396 2.470 222 2HD1 LEU 26 2HD1 LEU 26 -2.428 14.980 0.741 223 3HD1 LEU 26 3HD1 LEU 26 -2.870 13.804 2.028 224 1HD2 LEU 26 1HD2 LEU 26 -1.091 13.108 -0.281 225 2HD2 LEU 26 2HD2 LEU 26 0.154 12.264 0.704 226 3HD2 LEU 26 3HD2 LEU 26 -1.590 12.076 1.104 227 H ALA 27 H ALA 27 -0.011 17.833 0.500 228 HA ALA 27 HA ALA 27 2.172 18.908 -1.108 229 1HB ALA 27 1HB ALA 27 0.024 20.041 -1.113 230 2HB ALA 27 2HB ALA 27 0.103 20.222 0.675 231 3HB ALA 27 3HB ALA 27 1.274 21.098 -0.371 232 H GLY 28 H GLY 28 2.981 17.091 0.962 233 1HA GLY 28 1HA GLY 28 4.864 17.095 2.362 234 2HA GLY 28 2HA GLY 28 4.732 18.832 2.550 235 H SER 29 H SER 29 2.380 16.188 3.049 236 HA SER 29 HA SER 29 1.047 17.213 5.249 237 1HB SER 29 1HB SER 29 0.916 14.912 3.810 238 2HB SER 29 2HB SER 29 1.502 14.322 5.353 239 HG SER 29 HG SER 29 -0.802 14.337 5.237 240 HA PRO 30 HA PRO 30 3.929 16.870 8.556 241 1HB PRO 30 1HB PRO 30 2.262 16.497 10.714 242 2HB PRO 30 2HB PRO 30 2.613 18.046 9.977 243 1HG PRO 30 1HG PRO 30 0.155 16.443 9.821 244 2HG PRO 30 2HG PRO 30 0.384 18.144 9.467 245 1HD PRO 30 1HD PRO 30 0.154 16.014 7.609 246 2HD PRO 30 2HD PRO 30 0.487 17.699 7.259 247 H PHE 31 H PHE 31 4.917 15.409 10.056 248 HA PHE 31 HA PHE 31 4.005 12.611 9.890 249 1HB PHE 31 1HB PHE 31 6.900 13.274 9.713 250 2HB PHE 31 2HB PHE 31 6.041 11.876 9.099 251 HD1 PHE 31 1HD PHE 31 5.250 11.785 6.856 252 HD2 PHE 31 2HD PHE 31 6.791 15.446 8.494 253 HE1 PHE 31 1HE PHE 31 5.294 12.782 4.586 254 HE2 PHE 31 2HE PHE 31 6.849 16.449 6.227 255 HZ PHE 31 HZ PHE 31 6.101 15.109 4.258 256 H SER 32 H SER 32 4.934 11.218 11.563 257 HA SER 32 HA SER 32 5.093 12.506 14.126 258 1HB SER 32 1HB SER 32 4.256 10.198 13.620 259 2HB SER 32 2HB SER 32 5.930 9.713 13.436 260 HG SER 32 HG SER 32 5.113 9.269 15.535 261 H GLU 33 H GLU 33 7.402 12.190 11.700 262 HA GLU 33 HA GLU 33 9.537 12.882 13.596 263 1HB GLU 33 1HB GLU 33 9.409 10.467 12.020 264 2HB GLU 33 2HB GLU 33 10.824 11.415 11.609 265 1HG GLU 33 1HG GLU 33 11.472 11.524 13.947 266 2HG GLU 33 2HG GLU 33 10.011 10.678 14.417 267 H ASN 34 H ASN 34 8.876 12.500 10.135 268 HA ASN 34 HA ASN 34 8.914 15.089 9.265 269 1HB ASN 34 1HB ASN 34 11.550 14.332 10.074 270 2HB ASN 34 2HB ASN 34 11.521 14.529 8.333 271 1HD2 ASN 34 2HD2 ASN 34 12.965 16.261 8.666 272 2HD2 ASN 34 1HD2 ASN 34 12.343 17.837 9.102 273 H GLN 35 H GLN 35 10.213 11.872 8.650 274 HA GLN 35 HA GLN 35 8.671 11.501 6.330 275 1HB GLN 35 1HB GLN 35 10.674 13.173 5.670 276 2HB GLN 35 2HB GLN 35 11.511 11.647 5.467 277 1HG GLN 35 1HG GLN 35 10.576 11.560 3.443 278 2HG GLN 35 2HG GLN 35 9.086 11.175 4.279 279 1HE2 GLN 35 2HE2 GLN 35 10.945 14.172 3.730 280 2HE2 GLN 35 1HE2 GLN 35 9.609 15.072 3.045 281 H TRP 36 H TRP 36 10.115 9.654 4.947 282 HA TRP 36 HA TRP 36 10.630 7.582 6.960 283 1HB TRP 36 1HB TRP 36 10.697 6.659 4.234 284 2HB TRP 36 2HB TRP 36 9.676 6.151 5.564 285 HD1 TRP 36 HD TRP 36 7.215 6.817 5.522 286 HE1 TRP 36 1HE TRP 36 5.742 8.378 4.010 287 HE3 TRP 36 3HE TRP 36 10.894 8.950 2.709 288 HZ2 TRP 36 2HZ TRP 36 6.140 10.264 1.923 289 HZ3 TRP 36 3HZ TRP 36 10.332 10.681 1.007 290 HH2 TRP 36 HH TRP 36 7.993 11.420 0.687 291 H GLY 37 H GLY 37 12.492 9.855 6.061 292 1HA GLY 37 1HA GLY 37 14.863 9.753 6.362 293 2HA GLY 37 2HA GLY 37 14.888 8.220 5.514 294 HA PRO 38 HA PRO 38 15.693 10.375 1.764 295 1HB PRO 38 1HB PRO 38 14.250 8.943 -0.082 296 2HB PRO 38 2HB PRO 38 15.804 8.445 0.553 297 1HG PRO 38 1HG PRO 38 13.150 7.306 1.084 298 2HG PRO 38 2HG PRO 38 14.726 6.604 1.386 299 1HD PRO 38 1HD PRO 38 12.992 7.863 3.266 300 2HD PRO 38 2HD PRO 38 14.584 7.193 3.561 301 H GLN 39 H GLN 39 14.752 12.402 2.002 302 HA GLN 39 HA GLN 39 12.166 13.176 2.213 303 1HB GLN 39 1HB GLN 39 14.590 14.430 1.537 304 2HB GLN 39 2HB GLN 39 13.410 14.950 0.350 305 1HG GLN 39 1HG GLN 39 11.915 15.688 2.107 306 2HG GLN 39 2HG GLN 39 13.010 15.078 3.331 307 1HE2 GLN 39 2HE2 GLN 39 14.774 16.275 3.947 308 2HE2 GLN 39 1HE2 GLN 39 15.153 17.851 3.290 309 H GLN 40 H GLN 40 13.815 12.863 -0.933 310 HA GLN 40 HA GLN 40 11.420 13.141 -2.440 311 1HB GLN 40 1HB GLN 40 14.119 13.039 -3.003 312 2HB GLN 40 2HB GLN 40 13.473 11.603 -3.774 313 1HG GLN 40 1HG GLN 40 12.312 12.798 -5.309 314 2HG GLN 40 2HG GLN 40 11.859 14.031 -4.149 315 1HE2 GLN 40 2HE2 GLN 40 13.220 15.799 -3.766 316 2HE2 GLN 40 1HE2 GLN 40 14.554 16.189 -4.830 317 H GLY 41 H GLY 41 12.913 10.432 -0.875 318 1HA GLY 41 1HA GLY 41 12.348 8.247 -0.660 319 2HA GLY 41 2HA GLY 41 10.709 8.711 -1.071 320 HA PRO 42 HA PRO 42 12.553 7.668 -5.288 321 1HB PRO 42 1HB PRO 42 15.211 7.010 -5.520 322 2HB PRO 42 2HB PRO 42 14.558 8.613 -5.790 323 1HG PRO 42 1HG PRO 42 16.161 7.627 -3.533 324 2HG PRO 42 2HG PRO 42 15.875 9.279 -4.045 325 1HD PRO 42 1HD PRO 42 14.624 7.896 -1.902 326 2HD PRO 42 2HD PRO 42 14.277 9.517 -2.470 327 H SER 43 H SER 43 13.905 5.930 -2.548 328 HA SER 43 HA SER 43 13.470 3.343 -3.905 329 1HB SER 43 1HB SER 43 14.768 3.714 -1.232 330 2HB SER 43 2HB SER 43 14.938 2.379 -2.355 331 HG SER 43 HG SER 43 16.767 3.785 -2.383 332 H LEU 44 H LEU 44 11.125 4.186 -3.651 333 HA LEU 44 HA LEU 44 10.100 3.045 -1.113 334 1HB LEU 44 1HB LEU 44 9.599 5.641 -2.293 335 2HB LEU 44 2HB LEU 44 8.127 4.743 -1.984 336 HG LEU 44 HG LEU 44 10.168 4.956 0.154 337 1HD1 LEU 44 1HD1 LEU 44 9.959 7.271 -0.570 338 2HD1 LEU 44 2HD1 LEU 44 8.169 7.145 -0.460 339 3HD1 LEU 44 3HD1 LEU 44 9.171 7.028 1.028 340 1HD2 LEU 44 1HD2 LEU 44 7.149 4.852 0.201 341 2HD2 LEU 44 2HD2 LEU 44 8.274 3.488 0.533 342 3HD2 LEU 44 3HD2 LEU 44 8.221 4.901 1.644 343 H ARG 45 H ARG 45 9.520 3.689 -4.556 344 HA ARG 45 HA ARG 45 7.315 1.923 -4.767 345 1HB ARG 45 1HB ARG 45 9.288 2.779 -6.854 346 2HB ARG 45 2HB ARG 45 7.814 1.890 -7.181 347 1HG ARG 45 1HG ARG 45 8.064 4.657 -6.042 348 2HG ARG 45 2HG ARG 45 7.364 4.198 -7.581 349 1HD ARG 45 1HD ARG 45 5.821 2.723 -5.928 350 2HD ARG 45 2HD ARG 45 6.196 4.061 -4.861 351 HE ARG 45 HE ARG 45 4.741 5.364 -6.056 352 1HH1 ARG 45 1HH2 ARG 45 5.778 2.696 -8.135 353 2HH1 ARG 45 2HH2 ARG 45 4.710 3.182 -9.431 354 1HH2 ARG 45 1HH1 ARG 45 3.411 5.902 -7.779 355 2HH2 ARG 45 2HH1 ARG 45 3.416 4.935 -9.238 356 H GLU 46 H GLU 46 10.474 1.268 -6.249 357 HA GLU 46 HA GLU 46 10.132 -1.494 -6.381 358 1HB GLU 46 1HB GLU 46 12.418 0.335 -6.491 359 2HB GLU 46 2HB GLU 46 12.801 -1.330 -6.109 360 1HG GLU 46 1HG GLU 46 11.775 -2.113 -8.113 361 2HG GLU 46 2HG GLU 46 11.059 -0.546 -8.433 362 H GLN 47 H GLN 47 10.968 0.424 -3.609 363 HA GLN 47 HA GLN 47 11.886 -1.741 -1.979 364 1HB GLN 47 1HB GLN 47 11.478 1.093 -1.703 365 2HB GLN 47 2HB GLN 47 10.842 0.241 -0.311 366 1HG GLN 47 1HG GLN 47 13.010 -1.026 -0.206 367 2HG GLN 47 2HG GLN 47 13.626 0.041 -1.451 368 1HE2 GLN 47 2HE2 GLN 47 11.702 0.518 1.537 369 2HE2 GLN 47 1HE2 GLN 47 12.759 1.735 2.218 370 H CYS 48 H CYS 48 8.814 0.101 -1.957 371 HA CYS 48 HA CYS 48 7.525 -1.715 -0.213 372 1HB CYS 48 1HB CYS 48 5.917 -0.278 -0.150 373 2HB CYS 48 2HB CYS 48 6.912 0.724 -1.188 374 H CYS 49 H CYS 49 7.444 -1.423 -3.701 375 HA CYS 49 HA CYS 49 5.648 -3.420 -4.379 376 1HB CYS 49 1HB CYS 49 8.248 -2.724 -5.685 377 2HB CYS 49 2HB CYS 49 6.962 -3.659 -6.421 378 H ASN 50 H ASN 50 8.799 -3.709 -2.945 379 HA ASN 50 HA ASN 50 8.749 -6.634 -3.146 380 1HB ASN 50 1HB ASN 50 10.854 -4.625 -2.919 381 2HB ASN 50 2HB ASN 50 11.046 -5.966 -1.809 382 1HD2 ASN 50 2HD2 ASN 50 10.379 -5.175 -5.201 383 2HD2 ASN 50 1HD2 ASN 50 11.136 -6.602 -5.873 384 H GLU 51 H GLU 51 8.667 -3.988 -0.811 385 HA GLU 51 HA GLU 51 8.920 -5.512 1.544 386 1HB GLU 51 1HB GLU 51 8.856 -3.565 2.598 387 2HB GLU 51 2HB GLU 51 8.816 -2.836 1.005 388 1HG GLU 51 1HG GLU 51 6.379 -2.739 1.087 389 2HG GLU 51 2HG GLU 51 6.384 -3.528 2.651 390 H LEU 52 H LEU 52 6.356 -5.200 -0.653 391 HA LEU 52 HA LEU 52 4.381 -6.190 1.260 392 1HB LEU 52 1HB LEU 52 2.876 -5.122 0.043 393 2HB LEU 52 2HB LEU 52 4.261 -4.290 -0.635 394 HG LEU 52 HG LEU 52 2.883 -4.770 -2.412 395 1HD1 LEU 52 1HD1 LEU 52 5.176 -5.349 -3.024 396 2HD1 LEU 52 2HD1 LEU 52 4.893 -7.031 -2.456 397 3HD1 LEU 52 3HD1 LEU 52 3.985 -6.395 -3.872 398 1HD2 LEU 52 1HD2 LEU 52 2.588 -7.560 -1.289 399 2HD2 LEU 52 2HD2 LEU 52 1.358 -6.247 -1.268 400 3HD2 LEU 52 3HD2 LEU 52 1.863 -6.982 -2.829 401 H TYR 53 H TYR 53 6.442 -7.187 -1.294 402 HA TYR 53 HA TYR 53 5.034 -9.631 -1.952 403 1HB TYR 53 1HB TYR 53 6.360 -8.195 -3.562 404 2HB TYR 53 2HB TYR 53 7.801 -8.784 -2.758 405 HD1 TYR 53 1HD TYR 53 7.924 -11.501 -2.620 406 HD2 TYR 53 2HD TYR 53 5.862 -9.165 -5.567 407 HE1 TYR 53 1HE TYR 53 7.740 -13.512 -4.056 408 HE2 TYR 53 2HE TYR 53 5.873 -11.120 -7.105 409 HH TYR 53 HH TYR 53 6.331 -13.249 -7.344 410 H GLN 54 H GLN 54 7.839 -8.607 -0.122 411 HA GLN 54 HA GLN 54 9.100 -10.989 0.427 412 1HB GLN 54 1HB GLN 54 9.774 -9.952 2.589 413 2HB GLN 54 2HB GLN 54 10.078 -8.958 1.180 414 1HG GLN 54 1HG GLN 54 8.238 -7.547 1.653 415 2HG GLN 54 2HG GLN 54 7.586 -8.667 2.831 416 1HE2 GLN 54 2HE2 GLN 54 7.846 -8.089 4.891 417 2HE2 GLN 54 1HE2 GLN 54 9.147 -7.092 5.500 418 H GLU 55 H GLU 55 6.072 -9.823 1.688 419 HA GLU 55 HA GLU 55 5.856 -11.853 3.721 420 1HB GLU 55 1HB GLU 55 3.803 -9.968 2.627 421 2HB GLU 55 2HB GLU 55 3.676 -10.897 4.106 422 1HG GLU 55 1HG GLU 55 6.079 -9.440 4.301 423 2HG GLU 55 2HG GLU 55 4.868 -8.321 3.710 424 H ASP 56 H ASP 56 5.993 -12.360 0.668 425 HA ASP 56 HA ASP 56 5.412 -14.045 -0.704 426 1HB ASP 56 1HB ASP 56 4.872 -15.231 1.576 427 2HB ASP 56 2HB ASP 56 3.209 -14.971 1.092 428 H GLN 57 H GLN 57 3.074 -15.024 -1.667 429 HA GLN 57 HA GLN 57 1.705 -12.655 -2.615 430 1HB GLN 57 1HB GLN 57 1.853 -15.521 -3.312 431 2HB GLN 57 2HB GLN 57 0.385 -14.673 -3.752 432 1HG GLN 57 1HG GLN 57 2.131 -14.654 -5.513 433 2HG GLN 57 2HG GLN 57 1.600 -13.063 -5.008 434 1HE2 GLN 57 2HE2 GLN 57 3.230 -11.631 -4.934 435 2HE2 GLN 57 1HE2 GLN 57 4.871 -11.988 -4.444 436 H VAL 58 H VAL 58 1.169 -15.154 -0.296 437 HA VAL 58 HA VAL 58 -1.651 -14.843 -0.041 438 HB VAL 58 HB VAL 58 -0.156 -15.835 2.272 439 1HG1 VAL 58 1HG1 VAL 58 -2.569 -16.036 2.155 440 2HG1 VAL 58 2HG1 VAL 58 -2.422 -16.950 0.613 441 3HG1 VAL 58 3HG1 VAL 58 -1.797 -17.659 2.141 442 1HG2 VAL 58 1HG2 VAL 58 -0.057 -17.343 -0.352 443 2HG2 VAL 58 2HG2 VAL 58 1.348 -16.639 0.524 444 3HG2 VAL 58 3HG2 VAL 58 0.419 -17.995 1.255 445 H CYS 59 H CYS 59 0.926 -12.895 0.906 446 HA CYS 59 HA CYS 59 -0.753 -11.390 2.814 447 1HB CYS 59 1HB CYS 59 2.198 -11.575 2.429 448 2HB CYS 59 2HB CYS 59 1.440 -10.313 3.379 449 H VAL 60 H VAL 60 0.889 -11.326 -0.267 450 HA VAL 60 HA VAL 60 1.041 -8.651 -0.854 451 HB VAL 60 HB VAL 60 0.373 -11.036 -2.423 452 1HG1 VAL 60 1HG1 VAL 60 -1.313 -9.531 -3.345 453 2HG1 VAL 60 2HG1 VAL 60 -0.056 -8.271 -3.597 454 3HG1 VAL 60 3HG1 VAL 60 0.009 -9.804 -4.532 455 1HG2 VAL 60 1HG2 VAL 60 2.431 -8.837 -2.654 456 2HG2 VAL 60 2HG2 VAL 60 2.662 -10.471 -1.940 457 3HG2 VAL 60 3HG2 VAL 60 2.353 -10.296 -3.703 458 H CYS 61 H CYS 61 -1.861 -10.544 -0.482 459 HA CYS 61 HA CYS 61 -3.329 -8.356 0.323 460 1HB CYS 61 1HB CYS 61 -3.216 -8.656 -2.526 461 2HB CYS 61 2HB CYS 61 -4.859 -8.887 -1.960 462 HA PRO 62 HA PRO 62 -5.789 -7.977 -0.281 463 1HB PRO 62 1HB PRO 62 -7.872 -7.894 1.448 464 2HB PRO 62 2HB PRO 62 -7.997 -8.391 -0.227 465 1HG PRO 62 1HG PRO 62 -8.076 -10.043 2.207 466 2HG PRO 62 2HG PRO 62 -8.651 -10.425 0.596 467 1HD PRO 62 1HD PRO 62 -6.215 -11.279 1.816 468 2HD PRO 62 2HD PRO 62 -6.766 -11.614 0.184 469 H THR 63 H THR 63 -4.340 -9.567 2.241 470 HA THR 63 HA THR 63 -4.368 -8.061 4.470 471 HB THR 63 HB THR 63 -1.709 -8.760 3.378 472 HG1 THR 63 1HG THR 63 -2.222 -10.984 3.806 473 1HG2 THR 63 1HG2 THR 63 -1.978 -8.099 5.746 474 2HG2 THR 63 2HG2 THR 63 -3.161 -9.439 5.944 475 3HG2 THR 63 3HG2 THR 63 -1.443 -9.805 5.562 476 H LEU 64 H LEU 64 -2.364 -7.168 1.630 477 HA LEU 64 HA LEU 64 -1.254 -4.813 2.467 478 1HB LEU 64 1HB LEU 64 -1.437 -6.049 0.117 479 2HB LEU 64 2HB LEU 64 -2.528 -4.711 -0.180 480 HG LEU 64 HG LEU 64 0.234 -4.287 0.864 481 1HD1 LEU 64 1HD1 LEU 64 0.470 -5.557 -1.202 482 2HD1 LEU 64 2HD1 LEU 64 -0.623 -4.398 -2.035 483 3HD1 LEU 64 3HD1 LEU 64 0.981 -3.849 -1.437 484 1HD2 LEU 64 1HD2 LEU 64 -1.607 -2.473 -0.725 485 2HD2 LEU 64 2HD2 LEU 64 -1.259 -2.341 1.034 486 3HD2 LEU 64 3HD2 LEU 64 0.052 -2.066 -0.166 487 H LYS 65 H LYS 65 -4.588 -5.214 1.343 488 HA LYS 65 HA LYS 65 -5.603 -2.696 1.364 489 1HB LYS 65 1HB LYS 65 -6.956 -4.714 0.937 490 2HB LYS 65 2HB LYS 65 -6.956 -5.053 2.655 491 1HG LYS 65 1HG LYS 65 -8.522 -3.507 3.089 492 2HG LYS 65 2HG LYS 65 -7.849 -2.361 1.947 493 1HD LYS 65 1HD LYS 65 -9.903 -2.880 1.010 494 2HD LYS 65 2HD LYS 65 -8.801 -3.936 0.147 495 1HE LYS 65 1HE LYS 65 -9.408 -5.791 1.621 496 2HE LYS 65 2HE LYS 65 -10.489 -4.740 2.513 497 1HZ LYS 65 1HZ LYS 65 -11.759 -4.437 0.520 498 2HZ LYS 65 2HZ LYS 65 -10.739 -5.431 -0.323 499 3HZ LYS 65 3HZ LYS 65 -11.664 -6.044 0.905 500 H GLN 66 H GLN 66 -4.943 -4.672 4.254 501 HA GLN 66 HA GLN 66 -5.795 -2.836 6.187 502 1HB GLN 66 1HB GLN 66 -4.600 -5.302 6.230 503 2HB GLN 66 2HB GLN 66 -3.371 -4.264 6.923 504 1HG GLN 66 1HG GLN 66 -5.185 -3.285 8.381 505 2HG GLN 66 2HG GLN 66 -6.224 -4.579 7.819 506 1HE2 GLN 66 2HE2 GLN 66 -4.344 -6.685 7.652 507 2HE2 GLN 66 1HE2 GLN 66 -3.795 -7.069 9.267 508 H ALA 67 H ALA 67 -2.395 -3.316 5.110 509 HA ALA 67 HA ALA 67 -1.303 -1.067 6.303 510 1HB ALA 67 1HB ALA 67 0.067 -2.773 5.250 511 2HB ALA 67 2HB ALA 67 -0.571 -2.306 3.635 512 3HB ALA 67 3HB ALA 67 0.455 -1.158 4.563 513 H ALA 68 H ALA 68 -3.338 -1.240 3.482 514 HA ALA 68 HA ALA 68 -2.961 1.506 2.708 515 1HB ALA 68 1HB ALA 68 -3.331 -0.185 0.992 516 2HB ALA 68 2HB ALA 68 -4.908 -0.611 1.742 517 3HB ALA 68 3HB ALA 68 -4.677 1.008 0.994 518 H LYS 69 H LYS 69 -5.087 -0.255 4.791 519 HA LYS 69 HA LYS 69 -7.263 1.555 4.867 520 1HB LYS 69 1HB LYS 69 -6.741 -0.957 5.916 521 2HB LYS 69 2HB LYS 69 -6.861 0.075 7.328 522 1HG LYS 69 1HG LYS 69 -9.069 -0.447 7.059 523 2HG LYS 69 2HG LYS 69 -8.985 0.983 6.048 524 1HD LYS 69 1HD LYS 69 -9.471 -0.192 4.193 525 2HD LYS 69 2HD LYS 69 -8.284 -1.423 4.576 526 1HE LYS 69 1HE LYS 69 -10.252 -2.643 4.685 527 2HE LYS 69 2HE LYS 69 -10.046 -2.169 6.359 528 1HZ LYS 69 1HZ LYS 69 -11.550 -0.365 5.983 529 2HZ LYS 69 2HZ LYS 69 -11.743 -0.813 4.400 530 3HZ LYS 69 3HZ LYS 69 -12.272 -1.810 5.613 531 H SER 70 H SER 70 -4.434 1.083 6.885 532 HA SER 70 HA SER 70 -4.820 3.677 8.186 533 1HB SER 70 1HB SER 70 -2.637 2.719 9.408 534 2HB SER 70 2HB SER 70 -4.275 2.414 9.951 535 HG SER 70 HG SER 70 -3.041 0.476 9.756 536 H VAL 71 H VAL 71 -3.976 3.337 5.337 537 HA VAL 71 HA VAL 71 -1.238 4.069 5.165 538 HB VAL 71 HB VAL 71 -3.067 3.380 3.407 539 1HG1 VAL 71 1HG1 VAL 71 -4.376 5.415 3.555 540 2HG1 VAL 71 2HG1 VAL 71 -2.927 6.379 3.103 541 3HG1 VAL 71 3HG1 VAL 71 -3.650 5.234 1.919 542 1HG2 VAL 71 1HG2 VAL 71 -0.749 5.170 2.695 543 2HG2 VAL 71 2HG2 VAL 71 -0.691 3.386 2.911 544 3HG2 VAL 71 3HG2 VAL 71 -1.645 4.098 1.564 545 H ARG 72 H ARG 72 -3.981 5.853 6.153 546 HA ARG 72 HA ARG 72 -2.310 8.206 6.522 547 1HB ARG 72 1HB ARG 72 -4.329 8.071 4.530 548 2HB ARG 72 2HB ARG 72 -4.877 9.166 5.782 549 1HG ARG 72 1HG ARG 72 -2.035 9.434 4.981 550 2HG ARG 72 2HG ARG 72 -3.216 9.932 3.786 551 1HD ARG 72 1HD ARG 72 -3.625 10.865 6.567 552 2HD ARG 72 2HD ARG 72 -2.308 11.589 5.666 553 HE ARG 72 HE ARG 72 -4.463 11.706 3.949 554 1HH1 ARG 72 1HH2 ARG 72 -3.885 12.938 7.173 555 2HH1 ARG 72 2HH2 ARG 72 -4.955 14.304 6.953 556 1HH2 ARG 72 1HH1 ARG 72 -5.825 13.493 3.709 557 2HH2 ARG 72 2HH1 ARG 72 -6.029 14.613 5.036 558 H VAL 73 H VAL 73 -5.737 7.755 6.899 559 HA VAL 73 HA VAL 73 -5.670 7.276 9.725 560 HB VAL 73 HB VAL 73 -6.297 10.006 8.655 561 1HG1 VAL 73 1HG1 VAL 73 -8.270 9.351 9.924 562 2HG1 VAL 73 2HG1 VAL 73 -7.223 8.889 11.312 563 3HG1 VAL 73 3HG1 VAL 73 -7.334 10.610 10.804 564 1HG2 VAL 73 1HG2 VAL 73 -4.650 9.106 11.029 565 2HG2 VAL 73 2HG2 VAL 73 -4.017 9.702 9.455 566 3HG2 VAL 73 3HG2 VAL 73 -4.932 10.811 10.534 567 H GLN 74 H GLN 74 -7.637 6.582 10.458 568 HA GLN 74 HA GLN 74 -9.766 6.180 8.488 569 1HB GLN 74 1HB GLN 74 -8.572 4.504 10.544 570 2HB GLN 74 2HB GLN 74 -10.322 4.533 10.635 571 1HG GLN 74 1HG GLN 74 -10.096 4.244 8.006 572 2HG GLN 74 2HG GLN 74 -8.558 3.537 8.459 573 1HE2 GLN 74 2HE2 GLN 74 -8.514 1.446 9.056 574 2HE2 GLN 74 1HE2 GLN 74 -9.930 0.497 9.452 575 H GLY 75 H GLY 75 -10.242 8.540 8.933 576 1HA GLY 75 1HA GLY 75 -12.491 9.336 9.745 577 2HA GLY 75 2HA GLY 75 -12.007 8.754 11.324 578 H GLN 76 H GLN 76 -10.835 10.894 8.703 579 HA GLN 76 HA GLN 76 -10.642 13.121 10.532 580 1HB GLN 76 1HB GLN 76 -8.573 11.701 11.001 581 2HB GLN 76 2HB GLN 76 -8.019 12.191 9.413 582 1HG GLN 76 1HG GLN 76 -8.664 14.584 10.389 583 2HG GLN 76 2HG GLN 76 -8.291 13.767 11.893 584 1HE2 GLN 76 2HE2 GLN 76 -6.537 15.144 12.256 585 2HE2 GLN 76 1HE2 GLN 76 -5.042 14.967 11.363 586 H HIS 77 H HIS 77 -11.950 12.611 8.090 587 HA HIS 77 HA HIS 77 -11.643 14.833 6.550 588 1HB HIS 77 1HB HIS 77 -10.540 13.806 4.460 589 2HB HIS 77 2HB HIS 77 -9.536 14.488 5.723 590 HD1 HIS 77 1HD HIS 77 -7.873 12.829 6.931 591 HD2 HIS 77 2HD HIS 77 -10.638 10.992 4.342 592 HE1 HIS 77 1HE HIS 77 -7.187 10.377 6.771 593 HE2 HIS 77 2HE HIS 77 -8.920 9.209 5.307 594 H GLY 78 H GLY 78 -12.436 11.487 6.773 595 1HA GLY 78 1HA GLY 78 -14.432 10.474 6.187 596 2HA GLY 78 2HA GLY 78 -14.948 11.948 5.393 597 HA PRO 79 HA PRO 79 -14.111 9.087 1.959 598 1HB PRO 79 1HB PRO 79 -15.984 10.194 0.266 599 2HB PRO 79 2HB PRO 79 -16.297 8.879 1.379 600 1HG PRO 79 1HG PRO 79 -17.134 11.688 1.558 601 2HG PRO 79 2HG PRO 79 -17.775 10.292 2.400 602 1HD PRO 79 1HD PRO 79 -16.018 12.263 3.438 603 2HD PRO 79 2HD PRO 79 -16.563 10.803 4.238 604 H PHE 80 H PHE 80 -12.062 9.809 1.434 605 HA PHE 80 HA PHE 80 -11.849 11.640 -0.766 606 1HB PHE 80 1HB PHE 80 -12.096 13.129 1.316 607 2HB PHE 80 2HB PHE 80 -10.510 12.541 1.775 608 HD1 PHE 80 1HD PHE 80 -8.669 13.806 1.197 609 HD2 PHE 80 2HD PHE 80 -12.251 14.022 -1.175 610 HE1 PHE 80 1HE PHE 80 -7.650 15.607 -0.174 611 HE2 PHE 80 2HE PHE 80 -11.231 15.817 -2.553 612 HZ PHE 80 HZ PHE 80 -8.931 16.616 -2.053 613 H GLN 81 H GLN 81 -9.973 10.529 2.044 614 HA GLN 81 HA GLN 81 -7.578 10.092 0.634 615 1HB GLN 81 1HB GLN 81 -8.630 9.230 3.263 616 2HB GLN 81 2HB GLN 81 -7.246 8.372 2.616 617 1HG GLN 81 1HG GLN 81 -7.317 11.372 2.594 618 2HG GLN 81 2HG GLN 81 -6.836 10.514 4.045 619 1HE2 GLN 81 2HE2 GLN 81 -5.333 12.288 2.017 620 2HE2 GLN 81 1HE2 GLN 81 -3.914 11.336 1.639 621 H SER 82 H SER 82 -9.713 7.541 1.904 622 HA SER 82 HA SER 82 -8.821 5.339 0.672 623 1HB SER 82 1HB SER 82 -10.735 5.069 1.977 624 2HB SER 82 2HB SER 82 -11.674 6.154 0.969 625 HG SER 82 HG SER 82 -12.221 3.942 0.621 626 H THR 83 H THR 83 -11.067 7.551 -1.019 627 HA THR 83 HA THR 83 -11.166 6.494 -3.499 628 HB THR 83 HB THR 83 -11.067 9.238 -2.513 629 HG1 THR 83 1HG THR 83 -13.119 9.151 -3.579 630 1HG2 THR 83 1HG2 THR 83 -9.722 9.582 -4.549 631 2HG2 THR 83 2HG2 THR 83 -10.983 8.729 -5.504 632 3HG2 THR 83 3HG2 THR 83 -11.365 10.294 -4.706 633 H ARG 84 H ARG 84 -8.623 8.974 -3.005 634 HA ARG 84 HA ARG 84 -7.141 8.046 -5.242 635 1HB ARG 84 1HB ARG 84 -7.054 10.265 -3.542 636 2HB ARG 84 2HB ARG 84 -5.496 9.480 -3.382 637 1HG ARG 84 1HG ARG 84 -5.111 10.814 -5.216 638 2HG ARG 84 2HG ARG 84 -5.643 9.336 -5.993 639 1HD ARG 84 1HD ARG 84 -7.897 10.240 -6.178 640 2HD ARG 84 2HD ARG 84 -7.376 11.715 -5.389 641 HE ARG 84 HE ARG 84 -5.804 11.053 -7.731 642 1HH1 ARG 84 1HH2 ARG 84 -8.703 12.688 -6.639 643 2HH1 ARG 84 2HH2 ARG 84 -8.781 13.711 -8.056 644 1HH2 ARG 84 1HH1 ARG 84 -5.958 12.388 -9.543 645 2HH2 ARG 84 2HH1 ARG 84 -7.265 13.545 -9.661 646 H ILE 85 H ILE 85 -6.744 7.649 -1.768 647 HA ILE 85 HA ILE 85 -4.411 6.249 -1.592 648 HB ILE 85 HB ILE 85 -6.959 6.003 -0.082 649 1HG1 ILE 85 1HG1 ILE 85 -5.827 8.000 0.340 650 2HG1 ILE 85 2HG1 ILE 85 -5.541 6.966 1.726 651 1HG2 ILE 85 1HG2 ILE 85 -6.036 3.754 0.079 652 2HG2 ILE 85 2HG2 ILE 85 -4.451 4.437 0.584 653 3HG2 ILE 85 3HG2 ILE 85 -5.890 4.618 1.649 654 1HD1 ILE 85 1HD1 ILE 85 -3.304 6.401 0.873 655 2HD1 ILE 85 2HD1 ILE 85 -3.596 7.461 -0.549 656 3HD1 ILE 85 3HD1 ILE 85 -3.500 8.175 1.099 657 H TYR 86 H TYR 86 -7.431 5.064 -2.779 658 HA TYR 86 HA TYR 86 -6.494 2.351 -3.190 659 1HB TYR 86 1HB TYR 86 -9.077 3.806 -3.444 660 2HB TYR 86 2HB TYR 86 -8.850 2.296 -4.303 661 HD1 TYR 86 1HD TYR 86 -9.859 0.550 -3.366 662 HD2 TYR 86 2HD TYR 86 -8.040 3.485 -0.813 663 HE1 TYR 86 1HE TYR 86 -10.475 -0.800 -1.368 664 HE2 TYR 86 2HE TYR 86 -8.753 2.214 1.198 665 HH TYR 86 HH TYR 86 -9.765 0.389 1.924 666 H GLN 87 H GLN 87 -7.867 4.983 -5.251 667 HA GLN 87 HA GLN 87 -7.486 3.765 -7.699 668 1HB GLN 87 1HB GLN 87 -8.565 6.050 -7.014 669 2HB GLN 87 2HB GLN 87 -7.006 6.681 -7.504 670 1HG GLN 87 1HG GLN 87 -7.263 5.621 -9.693 671 2HG GLN 87 2HG GLN 87 -8.822 4.987 -9.203 672 1HE2 GLN 87 2HE2 GLN 87 -7.303 7.449 -10.824 673 2HE2 GLN 87 1HE2 GLN 87 -8.522 8.698 -10.712 674 H ILE 88 H ILE 88 -5.136 5.431 -5.774 675 HA ILE 88 HA ILE 88 -3.017 5.294 -7.709 676 HB ILE 88 HB ILE 88 -3.248 6.130 -4.853 677 1HG1 ILE 88 1HG1 ILE 88 -2.196 7.768 -7.113 678 2HG1 ILE 88 2HG1 ILE 88 -3.923 7.511 -6.959 679 1HG2 ILE 88 1HG2 ILE 88 -1.090 5.012 -5.028 680 2HG2 ILE 88 2HG2 ILE 88 -0.703 6.009 -6.473 681 3HG2 ILE 88 3HG2 ILE 88 -0.894 6.791 -4.866 682 1HD1 ILE 88 1HD1 ILE 88 -3.876 8.433 -4.670 683 2HD1 ILE 88 2HD1 ILE 88 -2.105 8.695 -4.830 684 3HD1 ILE 88 3HD1 ILE 88 -3.247 9.615 -5.871 685 H ALA 89 H ALA 89 -3.915 3.560 -4.718 686 HA ALA 89 HA ALA 89 -1.817 1.632 -4.949 687 1HB ALA 89 1HB ALA 89 -2.823 2.138 -2.776 688 2HB ALA 89 2HB ALA 89 -4.411 1.544 -3.373 689 3HB ALA 89 3HB ALA 89 -3.036 0.401 -3.183 690 H LYS 90 H LYS 90 -4.441 2.085 -6.917 691 HA LYS 90 HA LYS 90 -5.136 -0.653 -7.360 692 1HB LYS 90 1HB LYS 90 -6.939 0.467 -8.039 693 2HB LYS 90 2HB LYS 90 -6.039 1.955 -8.256 694 1HG LYS 90 1HG LYS 90 -5.897 -0.274 -10.247 695 2HG LYS 90 2HG LYS 90 -7.161 0.938 -10.307 696 1HD LYS 90 1HD LYS 90 -4.630 2.218 -10.045 697 2HD LYS 90 2HD LYS 90 -4.575 1.084 -11.380 698 1HE LYS 90 1HE LYS 90 -5.765 2.457 -12.660 699 2HE LYS 90 2HE LYS 90 -7.026 2.566 -11.449 700 1HZ LYS 90 1HZ LYS 90 -5.749 4.239 -10.339 701 2HZ LYS 90 2HZ LYS 90 -4.557 4.136 -11.484 702 3HZ LYS 90 3HZ LYS 90 -6.060 4.691 -11.901 703 H ASN 91 H ASN 91 -2.998 1.708 -8.827 704 HA ASN 91 HA ASN 91 -1.984 -0.219 -10.763 705 1HB ASN 91 1HB ASN 91 -1.802 2.716 -10.435 706 2HB ASN 91 2HB ASN 91 -0.455 1.908 -11.214 707 1HD2 ASN 91 2HD2 ASN 91 -3.153 3.554 -11.827 708 2HD2 ASN 91 1HD2 ASN 91 -3.647 2.825 -13.338 709 H LEU 92 H LEU 92 -1.542 -0.008 -7.639 710 HA LEU 92 HA LEU 92 1.308 0.093 -7.437 711 1HB LEU 92 1HB LEU 92 -0.953 -0.353 -5.654 712 2HB LEU 92 2HB LEU 92 0.454 -1.315 -5.251 713 HG LEU 92 HG LEU 92 0.350 1.660 -5.524 714 1HD1 LEU 92 1HD1 LEU 92 -0.740 0.814 -3.490 715 2HD1 LEU 92 2HD1 LEU 92 0.722 -0.161 -3.115 716 3HD1 LEU 92 3HD1 LEU 92 0.807 1.634 -3.086 717 1HD2 LEU 92 1HD2 LEU 92 2.677 -0.162 -4.812 718 2HD2 LEU 92 2HD2 LEU 92 2.503 0.783 -6.331 719 3HD2 LEU 92 3HD2 LEU 92 2.701 1.634 -4.760 720 HA PRO 93 HA PRO 93 1.123 -4.580 -7.382 721 1HB PRO 93 1HB PRO 93 -1.250 -5.862 -7.876 722 2HB PRO 93 2HB PRO 93 -0.606 -5.512 -6.285 723 1HG PRO 93 1HG PRO 93 -2.873 -4.293 -7.671 724 2HG PRO 93 2HG PRO 93 -2.494 -4.311 -5.960 725 1HD PRO 93 1HD PRO 93 -2.027 -2.211 -7.798 726 2HD PRO 93 2HD PRO 93 -1.539 -2.280 -6.116 727 H ASN 94 H ASN 94 -0.520 -2.734 -9.726 728 HA ASN 94 HA ASN 94 -0.374 -4.557 -11.921 729 1HB ASN 94 1HB ASN 94 -0.651 -1.573 -11.713 730 2HB ASN 94 2HB ASN 94 -0.693 -2.437 -13.236 731 1HD2 ASN 94 2HD2 ASN 94 -2.792 -0.890 -12.614 732 2HD2 ASN 94 1HD2 ASN 94 -4.175 -1.868 -12.179 733 H VAL 95 H VAL 95 1.686 -1.970 -10.683 734 HA VAL 95 HA VAL 95 3.745 -2.567 -12.702 735 HB VAL 95 HB VAL 95 3.574 -0.232 -10.824 736 1HG1 VAL 95 1HG1 VAL 95 5.859 -0.706 -11.602 737 2HG1 VAL 95 2HG1 VAL 95 5.268 -0.711 -13.300 738 3HG1 VAL 95 3HG1 VAL 95 5.226 0.808 -12.338 739 1HG2 VAL 95 1HG2 VAL 95 2.785 -0.410 -13.756 740 2HG2 VAL 95 2HG2 VAL 95 1.655 -0.211 -12.373 741 3HG2 VAL 95 3HG2 VAL 95 2.825 1.093 -12.772 742 H CYS 96 H CYS 96 2.928 -3.266 -9.537 743 HA CYS 96 HA CYS 96 5.713 -3.961 -8.813 744 1HB CYS 96 1HB CYS 96 3.366 -3.573 -6.992 745 2HB CYS 96 2HB CYS 96 5.033 -3.837 -6.523 746 H ASN 97 H ASN 97 3.983 -5.497 -10.541 747 HA ASN 97 HA ASN 97 2.520 -7.530 -10.046 748 1HB ASN 97 1HB ASN 97 5.112 -7.498 -11.432 749 2HB ASN 97 2HB ASN 97 4.546 -9.088 -10.964 750 1HD2 ASN 97 2HD2 ASN 97 3.142 -6.094 -12.332 751 2HD2 ASN 97 1HD2 ASN 97 2.233 -6.907 -13.588 752 H MET 98 H MET 98 2.047 -8.872 -8.512 753 HA MET 98 HA MET 98 4.090 -10.232 -6.977 754 1HB MET 98 1HB MET 98 3.681 -9.167 -4.861 755 2HB MET 98 2HB MET 98 4.157 -7.953 -6.030 756 1HG MET 98 1HG MET 98 1.357 -8.491 -5.109 757 2HG MET 98 2HG MET 98 2.374 -7.169 -4.578 758 1HE MET 98 1HE MET 98 0.540 -8.817 -7.620 759 2HE MET 98 2HE MET 98 -0.551 -7.912 -6.515 760 3HE MET 98 3HE MET 98 -0.282 -7.325 -8.194 761 H LYS 99 H LYS 99 1.616 -10.776 -8.576 762 HA LYS 99 HA LYS 99 0.438 -12.697 -6.813 763 1HB LYS 99 1HB LYS 99 -0.974 -11.150 -5.852 764 2HB LYS 99 2HB LYS 99 -1.021 -10.144 -7.285 765 1HG LYS 99 1HG LYS 99 -2.200 -12.741 -7.756 766 2HG LYS 99 2HG LYS 99 -2.985 -11.892 -6.437 767 1HD LYS 99 1HD LYS 99 -4.089 -10.627 -7.919 768 2HD LYS 99 2HD LYS 99 -2.566 -10.015 -8.528 769 1HE LYS 99 1HE LYS 99 -2.748 -11.214 -10.411 770 2HE LYS 99 2HE LYS 99 -3.070 -12.683 -9.512 771 1HZ LYS 99 1HZ LYS 99 -5.348 -12.045 -9.383 772 2HZ LYS 99 2HZ LYS 99 -5.042 -10.657 -10.233 773 3HZ LYS 99 3HZ LYS 99 -4.854 -12.132 -10.962 774 H GLN 100 H GLN 100 0.903 -14.204 -8.225 775 HA GLN 100 HA GLN 100 0.115 -13.848 -11.001 776 1HB GLN 100 1HB GLN 100 2.092 -15.225 -9.842 777 2HB GLN 100 2HB GLN 100 0.921 -16.508 -10.073 778 1HG GLN 100 1HG GLN 100 1.631 -14.619 -12.287 779 2HG GLN 100 2HG GLN 100 2.596 -16.046 -11.964 780 1HE2 GLN 100 2HE2 GLN 100 0.911 -15.217 -14.317 781 2HE2 GLN 100 1HE2 GLN 100 -0.165 -16.573 -14.573 782 H ILE 101 H ILE 101 -1.557 -14.615 -8.247 783 HA ILE 101 HA ILE 101 -3.463 -16.359 -9.643 784 HB ILE 101 HB ILE 101 -2.820 -17.546 -7.826 785 1HG1 ILE 101 1HG1 ILE 101 -4.876 -16.363 -6.147 786 2HG1 ILE 101 2HG1 ILE 101 -5.398 -16.599 -7.803 787 1HG2 ILE 101 1HG2 ILE 101 -1.354 -15.882 -6.793 788 2HG2 ILE 101 2HG2 ILE 101 -2.788 -15.008 -6.150 789 3HG2 ILE 101 3HG2 ILE 101 -2.397 -16.656 -5.548 790 1HD1 ILE 101 1HD1 ILE 101 -4.749 -18.965 -7.694 791 2HD1 ILE 101 2HD1 ILE 101 -4.212 -18.722 -5.996 792 3HD1 ILE 101 3HD1 ILE 101 -5.950 -18.547 -6.423 793 H GLY 102 H GLY 102 -4.149 -14.332 -6.838 794 1HA GLY 102 1HA GLY 102 -5.437 -12.177 -7.816 795 2HA GLY 102 2HA GLY 102 -6.608 -13.458 -8.050 796 H THR 103 H THR 103 -4.870 -11.512 -5.815 797 HA THR 103 HA THR 103 -6.130 -12.719 -3.458 798 HB THR 103 HB THR 103 -4.427 -10.730 -2.652 799 HG1 THR 103 1HG THR 103 -2.472 -11.220 -3.793 800 1HG2 THR 103 1HG2 THR 103 -4.700 -12.858 -1.552 801 2HG2 THR 103 2HG2 THR 103 -3.906 -13.682 -2.938 802 3HG2 THR 103 3HG2 THR 103 -2.966 -12.544 -1.911 803 H CYS 104 H CYS 104 -5.329 -9.347 -4.392 804 HA CYS 104 HA CYS 104 -8.151 -8.651 -3.900 805 1HB CYS 104 1HB CYS 104 -7.535 -6.617 -2.871 806 2HB CYS 104 2HB CYS 104 -6.639 -7.898 -2.080 807 HA PRO 105 HA PRO 105 -6.821 -7.394 -8.144 808 1HB PRO 105 1HB PRO 105 -8.735 -8.781 -9.554 809 2HB PRO 105 2HB PRO 105 -7.117 -9.368 -9.225 810 1HG PRO 105 1HG PRO 105 -9.671 -10.199 -8.020 811 2HG PRO 105 2HG PRO 105 -8.147 -11.059 -8.074 812 1HD PRO 105 1HD PRO 105 -9.233 -9.634 -5.878 813 2HD PRO 105 2HD PRO 105 -7.649 -10.379 -5.977 814 H PHE 106 H PHE 106 -8.067 -5.754 -6.401 815 HA PHE 106 HA PHE 106 -10.700 -4.963 -7.320 816 1HB PHE 106 1HB PHE 106 -10.760 -3.651 -5.431 817 2HB PHE 106 2HB PHE 106 -9.674 -4.919 -4.904 818 HD1 PHE 106 1HD PHE 106 -7.307 -4.457 -4.452 819 HD2 PHE 106 2HD PHE 106 -9.936 -1.380 -5.892 820 HE1 PHE 106 1HE PHE 106 -5.558 -2.759 -4.012 821 HE2 PHE 106 2HE PHE 106 -8.183 0.319 -5.475 822 HZ PHE 106 HZ PHE 106 -5.994 -0.356 -4.494 823 H ILE 107 H ILE 107 -10.971 -3.595 -9.004 824 HA ILE 107 HA ILE 107 -9.401 -1.222 -9.315 825 HB ILE 107 HB ILE 107 -8.765 -1.904 -11.735 826 1HG1 ILE 107 1HG1 ILE 107 -8.348 -4.627 -10.588 827 2HG1 ILE 107 2HG1 ILE 107 -9.861 -4.223 -11.377 828 1HG2 ILE 107 1HG2 ILE 107 -7.103 -1.234 -10.092 829 2HG2 ILE 107 2HG2 ILE 107 -7.120 -2.891 -9.395 830 3HG2 ILE 107 3HG2 ILE 107 -6.509 -2.623 -11.064 831 1HD1 ILE 107 1HD1 ILE 107 -8.649 -3.601 -13.435 832 2HD1 ILE 107 2HD1 ILE 107 -7.098 -4.015 -12.626 833 3HD1 ILE 107 3HD1 ILE 107 -8.310 -5.301 -12.958 834 H ALA 108 H ALA 108 -10.742 0.192 -10.146 835 HA ALA 108 HA ALA 108 -12.367 0.240 -12.268 836 1HB ALA 108 1HB ALA 108 -13.529 -1.808 -11.605 837 2HB ALA 108 2HB ALA 108 -13.970 -1.048 -10.036 838 3HB ALA 108 3HB ALA 108 -14.646 -0.399 -11.571 839 H ILE 109 H ILE 109 -12.075 0.973 -8.931 840 HA ILE 109 HA ILE 109 -13.821 3.138 -8.619 841 HB ILE 109 HB ILE 109 -12.196 3.793 -6.802 842 1HG1 ILE 109 1HG1 ILE 109 -10.858 1.277 -6.613 843 2HG1 ILE 109 2HG1 ILE 109 -10.477 2.024 -8.152 844 1HG2 ILE 109 1HG2 ILE 109 -14.205 2.524 -6.289 845 2HG2 ILE 109 2HG2 ILE 109 -13.366 0.999 -6.741 846 3HG2 ILE 109 3HG2 ILE 109 -12.820 1.933 -5.304 847 1HD1 ILE 109 1HD1 ILE 109 -9.859 4.111 -7.011 848 2HD1 ILE 109 2HD1 ILE 109 -10.250 3.344 -5.433 849 3HD1 ILE 109 3HD1 ILE 109 -8.881 2.721 -6.420 Start of MODEL 5 1 1H GLN 1 1H GLN 1 -0.196 -18.033 6.393 2 2H GLN 1 2H GLN 1 -0.883 -19.540 6.400 3 3H GLN 1 3H GLN 1 0.758 -19.378 6.551 4 HA GLN 1 HA GLN 1 0.899 -18.460 4.371 5 1HB GLN 1 1HB GLN 1 0.225 -21.189 4.912 6 2HB GLN 1 2HB GLN 1 -0.418 -20.705 3.356 7 1HG GLN 1 1HG GLN 1 1.656 -21.219 2.614 8 2HG GLN 1 2HG GLN 1 2.067 -19.632 3.231 9 1HE2 GLN 1 2HE2 GLN 1 3.381 -22.478 3.100 10 2HE2 GLN 1 1HE2 GLN 1 4.014 -22.690 4.717 11 HA PRO 2 HA PRO 2 -3.440 -18.463 2.451 12 1HB PRO 2 1HB PRO 2 -5.612 -19.155 4.021 13 2HB PRO 2 2HB PRO 2 -4.814 -20.218 2.878 14 1HG PRO 2 1HG PRO 2 -4.712 -20.255 5.807 15 2HG PRO 2 2HG PRO 2 -4.261 -21.513 4.673 16 1HD PRO 2 1HD PRO 2 -2.532 -19.776 6.095 17 2HD PRO 2 2HD PRO 2 -2.088 -20.967 4.890 18 H GLN 3 H GLN 3 -5.926 -17.352 3.347 19 HA GLN 3 HA GLN 3 -5.478 -14.704 3.856 20 1HB GLN 3 1HB GLN 3 -7.685 -16.240 3.698 21 2HB GLN 3 2HB GLN 3 -7.703 -15.848 5.405 22 1HG GLN 3 1HG GLN 3 -8.639 -13.881 4.854 23 2HG GLN 3 2HG GLN 3 -7.109 -13.434 4.125 24 1HE2 GLN 3 2HE2 GLN 3 -10.395 -14.065 3.570 25 2HE2 GLN 3 1HE2 GLN 3 -10.349 -14.109 1.822 26 H LYS 4 H LYS 4 -5.406 -17.252 6.331 27 HA LYS 4 HA LYS 4 -5.321 -15.815 8.669 28 1HB LYS 4 1HB LYS 4 -4.778 -18.350 7.985 29 2HB LYS 4 2HB LYS 4 -3.167 -17.787 8.380 30 1HG LYS 4 1HG LYS 4 -5.020 -16.852 10.360 31 2HG LYS 4 2HG LYS 4 -5.194 -18.585 10.170 32 1HD LYS 4 1HD LYS 4 -2.697 -18.770 10.427 33 2HD LYS 4 2HD LYS 4 -2.681 -17.070 10.849 34 1HE LYS 4 1HE LYS 4 -3.136 -17.649 12.964 35 2HE LYS 4 2HE LYS 4 -4.701 -18.220 12.422 36 1HZ LYS 4 1HZ LYS 4 -3.722 -20.359 12.008 37 2HZ LYS 4 2HZ LYS 4 -2.243 -19.819 12.521 38 3HZ LYS 4 3HZ LYS 4 -3.504 -19.922 13.589 39 H CYS 5 H CYS 5 -2.777 -15.882 6.241 40 HA CYS 5 HA CYS 5 -0.785 -14.386 7.485 41 1HB CYS 5 1HB CYS 5 0.104 -14.824 5.499 42 2HB CYS 5 2HB CYS 5 -1.469 -15.053 4.761 43 H GLN 6 H GLN 6 -3.655 -13.092 5.653 44 HA GLN 6 HA GLN 6 -3.170 -10.413 5.886 45 1HB GLN 6 1HB GLN 6 -5.504 -12.044 5.603 46 2HB GLN 6 2HB GLN 6 -5.858 -10.638 6.587 47 1HG GLN 6 1HG GLN 6 -4.325 -9.810 4.350 48 2HG GLN 6 2HG GLN 6 -5.653 -10.801 3.782 49 1HE2 GLN 6 2HE2 GLN 6 -7.827 -10.148 4.210 50 2HE2 GLN 6 1HE2 GLN 6 -8.190 -8.487 4.623 51 H ARG 7 H ARG 7 -4.168 -12.509 8.508 52 HA ARG 7 HA ARG 7 -4.241 -10.369 10.458 53 1HB ARG 7 1HB ARG 7 -5.433 -12.738 10.360 54 2HB ARG 7 2HB ARG 7 -4.003 -13.207 11.256 55 1HG ARG 7 1HG ARG 7 -4.687 -10.824 12.446 56 2HG ARG 7 2HG ARG 7 -6.252 -11.525 12.090 57 1HD ARG 7 1HD ARG 7 -5.713 -13.519 13.300 58 2HD ARG 7 2HD ARG 7 -4.046 -13.013 13.491 59 HE ARG 7 HE ARG 7 -5.700 -11.026 14.617 60 1HH1 ARG 7 1HH2 ARG 7 -4.793 -14.342 15.294 61 2HH1 ARG 7 2HH2 ARG 7 -5.034 -14.145 17.016 62 1HH2 ARG 7 1HH1 ARG 7 -5.976 -10.846 16.820 63 2HH2 ARG 7 2HH1 ARG 7 -5.683 -12.229 17.850 64 H GLU 8 H GLU 8 -2.036 -13.130 9.863 65 HA GLU 8 HA GLU 8 -0.093 -12.418 11.768 66 1HB GLU 8 1HB GLU 8 -0.382 -14.374 9.728 67 2HB GLU 8 2HB GLU 8 1.233 -13.701 9.657 68 1HG GLU 8 1HG GLU 8 0.924 -14.002 12.342 69 2HG GLU 8 2HG GLU 8 -0.026 -15.349 11.751 70 H PHE 9 H PHE 9 -0.700 -11.030 8.721 71 HA PHE 9 HA PHE 9 1.825 -9.926 8.074 72 1HB PHE 9 1HB PHE 9 0.375 -9.941 6.293 73 2HB PHE 9 2HB PHE 9 -1.017 -9.575 7.293 74 HD1 PHE 9 1HD PHE 9 -1.484 -7.160 7.969 75 HD2 PHE 9 2HD PHE 9 1.488 -8.297 5.092 76 HE1 PHE 9 1HE PHE 9 -1.002 -4.755 7.524 77 HE2 PHE 9 2HE PHE 9 1.584 -5.960 4.290 78 HZ PHE 9 HZ PHE 9 0.420 -4.174 5.563 79 H GLN 10 H GLN 10 -1.077 -8.709 9.665 80 HA GLN 10 HA GLN 10 0.197 -6.197 10.347 81 1HB GLN 10 1HB GLN 10 -2.370 -6.783 9.907 82 2HB GLN 10 2HB GLN 10 -2.335 -6.960 11.649 83 1HG GLN 10 1HG GLN 10 -0.881 -4.619 11.051 84 2HG GLN 10 2HG GLN 10 -2.338 -4.557 10.079 85 1HE2 GLN 10 2HE2 GLN 10 -1.832 -2.644 12.012 86 2HE2 GLN 10 1HE2 GLN 10 -2.998 -2.831 13.302 87 H GLN 11 H GLN 11 0.228 -9.294 11.654 88 HA GLN 11 HA GLN 11 0.099 -9.008 14.379 89 1HB GLN 11 1HB GLN 11 0.846 -10.992 12.717 90 2HB GLN 11 2HB GLN 11 2.392 -10.574 13.430 91 1HG GLN 11 1HG GLN 11 0.409 -10.687 15.473 92 2HG GLN 11 2HG GLN 11 0.352 -12.161 14.528 93 1HE2 GLN 11 2HE2 GLN 11 1.893 -10.522 17.044 94 2HE2 GLN 11 1HE2 GLN 11 3.241 -11.616 17.250 95 H GLU 12 H GLU 12 2.846 -8.277 12.275 96 HA GLU 12 HA GLU 12 3.962 -6.206 13.720 97 1HB GLU 12 1HB GLU 12 5.970 -7.567 14.687 98 2HB GLU 12 2HB GLU 12 4.515 -7.270 15.617 99 1HG GLU 12 1HG GLU 12 3.892 -9.454 15.597 100 2HG GLU 12 2HG GLU 12 4.565 -9.745 14.006 101 H GLN 13 H GLN 13 3.591 -7.215 11.014 102 HA GLN 13 HA GLN 13 6.272 -6.620 10.062 103 1HB GLN 13 1HB GLN 13 5.777 -9.237 10.415 104 2HB GLN 13 2HB GLN 13 5.226 -9.036 8.764 105 1HG GLN 13 1HG GLN 13 7.404 -7.744 8.380 106 2HG GLN 13 2HG GLN 13 7.934 -8.417 9.908 107 1HE2 GLN 13 2HE2 GLN 13 8.864 -8.809 7.054 108 2HE2 GLN 13 1HE2 GLN 13 8.869 -10.547 6.854 109 H HIS 14 H HIS 14 4.151 -4.982 9.929 110 HA HIS 14 HA HIS 14 2.619 -5.389 7.525 111 1HB HIS 14 1HB HIS 14 2.739 -2.655 8.515 112 2HB HIS 14 2HB HIS 14 1.352 -3.687 8.228 113 HD1 HIS 14 1HD HIS 14 1.912 -1.714 10.817 114 HD2 HIS 14 2HD HIS 14 2.242 -5.894 10.539 115 HE1 HIS 14 1HE HIS 14 1.699 -2.636 13.215 116 HE2 HIS 14 2HE HIS 14 1.919 -5.190 13.023 117 H LEU 15 H LEU 15 2.711 -2.794 6.416 118 HA LEU 15 HA LEU 15 5.392 -2.823 5.176 119 1HB LEU 15 1HB LEU 15 2.966 -1.805 3.785 120 2HB LEU 15 2HB LEU 15 4.492 -2.329 3.103 121 HG LEU 15 HG LEU 15 2.237 -3.989 4.129 122 1HD1 LEU 15 1HD1 LEU 15 2.125 -3.358 1.792 123 2HD1 LEU 15 2HD1 LEU 15 3.776 -4.021 1.537 124 3HD1 LEU 15 3HD1 LEU 15 2.425 -5.122 1.970 125 1HD2 LEU 15 1HD2 LEU 15 5.028 -4.993 3.532 126 2HD2 LEU 15 2HD2 LEU 15 4.230 -4.960 5.144 127 3HD2 LEU 15 3HD2 LEU 15 3.584 -6.018 3.840 128 H ARG 16 H ARG 16 5.887 -0.702 4.122 129 HA ARG 16 HA ARG 16 5.123 1.620 5.728 130 1HB ARG 16 1HB ARG 16 7.667 2.169 5.788 131 2HB ARG 16 2HB ARG 16 6.924 1.219 7.059 132 1HG ARG 16 1HG ARG 16 7.930 -0.336 4.758 133 2HG ARG 16 2HG ARG 16 9.162 0.446 5.727 134 1HD ARG 16 1HD ARG 16 8.306 -0.587 7.744 135 2HD ARG 16 2HD ARG 16 6.942 -1.251 6.869 136 HE ARG 16 HE ARG 16 8.270 -2.979 6.111 137 1HH1 ARG 16 1HH2 ARG 16 10.320 -0.464 7.431 138 2HH1 ARG 16 2HH2 ARG 16 11.768 -1.432 7.274 139 1HH2 ARG 16 1HH1 ARG 16 10.161 -4.156 5.913 140 2HH2 ARG 16 2HH1 ARG 16 11.679 -3.464 6.439 141 H ALA 17 H ALA 17 7.987 1.259 3.669 142 HA ALA 17 HA ALA 17 7.595 3.447 2.145 143 1HB ALA 17 1HB ALA 17 9.616 2.123 2.080 144 2HB ALA 17 2HB ALA 17 8.738 0.788 1.256 145 3HB ALA 17 3HB ALA 17 8.988 2.356 0.412 146 H CYS 18 H CYS 18 5.976 0.338 1.544 147 HA CYS 18 HA CYS 18 4.561 1.112 -0.779 148 1HB CYS 18 1HB CYS 18 4.936 -1.191 0.509 149 2HB CYS 18 2HB CYS 18 3.333 -0.800 1.100 150 H GLN 19 H GLN 19 3.389 0.905 2.585 151 HA GLN 19 HA GLN 19 1.177 2.678 2.015 152 1HB GLN 19 1HB GLN 19 0.540 2.305 4.260 153 2HB GLN 19 2HB GLN 19 0.996 0.790 3.508 154 1HG GLN 19 1HG GLN 19 2.054 0.478 5.451 155 2HG GLN 19 2HG GLN 19 3.311 1.405 4.657 156 1HE2 GLN 19 2HE2 GLN 19 0.432 1.803 6.698 157 2HE2 GLN 19 1HE2 GLN 19 1.078 3.105 7.670 158 H GLN 20 H GLN 20 3.898 3.864 1.672 159 HA GLN 20 HA GLN 20 3.639 6.139 3.553 160 1HB GLN 20 1HB GLN 20 6.090 4.527 3.016 161 2HB GLN 20 2HB GLN 20 6.210 6.225 3.432 162 1HG GLN 20 1HG GLN 20 4.456 5.160 5.312 163 2HG GLN 20 2HG GLN 20 5.710 3.950 5.142 164 1HE2 GLN 20 2HE2 GLN 20 6.792 4.200 7.045 165 2HE2 GLN 20 1HE2 GLN 20 7.544 5.700 7.537 166 H TRP 21 H TRP 21 5.026 4.840 0.542 167 HA TRP 21 HA TRP 21 5.643 7.323 -0.627 168 1HB TRP 21 1HB TRP 21 5.748 6.218 -2.627 169 2HB TRP 21 2HB TRP 21 6.030 4.937 -1.465 170 HD1 TRP 21 HD TRP 21 4.504 2.886 -1.566 171 HE1 TRP 21 1HE TRP 21 2.375 2.247 -2.863 172 HE3 TRP 21 3HE TRP 21 3.555 7.364 -3.749 173 HZ2 TRP 21 2HZ TRP 21 0.637 3.495 -4.840 174 HZ3 TRP 21 3HZ TRP 21 1.688 7.637 -5.360 175 HH2 TRP 21 HH TRP 21 0.328 5.664 -6.007 176 H ILE 22 H ILE 22 2.495 5.667 -0.260 177 HA ILE 22 HA ILE 22 1.074 7.512 -1.944 178 HB ILE 22 HB ILE 22 0.077 5.881 0.374 179 1HG1 ILE 22 1HG1 ILE 22 0.046 5.184 -2.536 180 2HG1 ILE 22 2HG1 ILE 22 1.290 4.633 -1.432 181 1HG2 ILE 22 1HG2 ILE 22 -1.472 7.666 -0.317 182 2HG2 ILE 22 2HG2 ILE 22 -1.352 7.098 -2.019 183 3HG2 ILE 22 3HG2 ILE 22 -2.112 6.049 -0.772 184 1HD1 ILE 22 1HD1 ILE 22 -0.391 3.453 -0.091 185 2HD1 ILE 22 2HD1 ILE 22 -1.668 4.017 -1.224 186 3HD1 ILE 22 3HD1 ILE 22 -0.387 2.894 -1.801 187 H ARG 23 H ARG 23 1.859 7.436 1.505 188 HA ARG 23 HA ARG 23 0.583 9.864 2.194 189 1HB ARG 23 1HB ARG 23 2.692 8.215 3.411 190 2HB ARG 23 2HB ARG 23 2.502 9.866 3.971 191 1HG ARG 23 1HG ARG 23 0.972 8.990 5.370 192 2HG ARG 23 2HG ARG 23 -0.079 8.987 3.966 193 1HD ARG 23 1HD ARG 23 -0.074 6.748 3.871 194 2HD ARG 23 2HD ARG 23 1.675 6.693 3.957 195 HE ARG 23 HE ARG 23 -0.209 6.326 6.143 196 1HH1 ARG 23 1HH2 ARG 23 3.112 7.193 5.398 197 2HH1 ARG 23 2HH2 ARG 23 3.669 6.736 6.991 198 1HH2 ARG 23 1HH1 ARG 23 0.558 5.763 8.114 199 2HH2 ARG 23 2HH1 ARG 23 2.254 5.945 8.496 200 H GLN 24 H GLN 24 3.300 9.451 0.153 201 HA GLN 24 HA GLN 24 4.557 11.941 0.697 202 1HB GLN 24 1HB GLN 24 5.840 11.456 -1.122 203 2HB GLN 24 2HB GLN 24 5.238 9.860 -0.717 204 1HG GLN 24 1HG GLN 24 3.366 10.334 -2.403 205 2HG GLN 24 2HG GLN 24 4.359 11.670 -2.948 206 1HE2 GLN 24 2HE2 GLN 24 4.382 10.697 -5.026 207 2HE2 GLN 24 1HE2 GLN 24 5.451 9.356 -5.371 208 H GLN 25 H GLN 25 1.418 11.318 -0.638 209 HA GLN 25 HA GLN 25 1.354 13.755 -2.201 210 1HB GLN 25 1HB GLN 25 -0.093 12.210 -3.007 211 2HB GLN 25 2HB GLN 25 -0.527 11.622 -1.415 212 1HG GLN 25 1HG GLN 25 -2.421 12.697 -2.449 213 2HG GLN 25 2HG GLN 25 -1.892 13.622 -1.058 214 1HE2 GLN 25 2HE2 GLN 25 -3.123 15.410 -2.025 215 2HE2 GLN 25 1HE2 GLN 25 -2.385 16.359 -3.296 216 H LEU 26 H LEU 26 1.242 13.155 1.153 217 HA LEU 26 HA LEU 26 -0.099 15.742 1.595 218 1HB LEU 26 1HB LEU 26 -0.322 13.821 3.773 219 2HB LEU 26 2HB LEU 26 -1.506 14.933 3.117 220 HG LEU 26 HG LEU 26 -1.409 13.055 1.159 221 1HD1 LEU 26 1HD1 LEU 26 0.116 11.636 2.427 222 2HD1 LEU 26 2HD1 LEU 26 -1.046 11.623 3.799 223 3HD1 LEU 26 3HD1 LEU 26 -1.488 10.848 2.238 224 1HD2 LEU 26 1HD2 LEU 26 -3.163 12.925 3.621 225 2HD2 LEU 26 2HD2 LEU 26 -3.473 13.925 2.160 226 3HD2 LEU 26 3HD2 LEU 26 -3.495 12.132 2.043 227 H ALA 27 H ALA 27 0.616 16.922 3.470 228 HA ALA 27 HA ALA 27 3.409 17.032 3.752 229 1HB ALA 27 1HB ALA 27 1.900 18.866 4.339 230 2HB ALA 27 2HB ALA 27 1.233 17.884 5.688 231 3HB ALA 27 3HB ALA 27 2.944 18.434 5.739 232 H GLY 28 H GLY 28 1.146 14.870 5.290 233 1HA GLY 28 1HA GLY 28 2.967 13.961 7.364 234 2HA GLY 28 2HA GLY 28 1.398 13.295 6.961 235 H SER 29 H SER 29 4.563 12.577 7.051 236 HA SER 29 HA SER 29 4.824 10.187 5.878 237 1HB SER 29 1HB SER 29 4.450 10.382 3.685 238 2HB SER 29 2HB SER 29 4.633 12.124 3.711 239 HG SER 29 HG SER 29 6.194 11.098 2.413 240 HA PRO 30 HA PRO 30 9.135 12.055 5.974 241 1HB PRO 30 1HB PRO 30 9.451 14.787 6.184 242 2HB PRO 30 2HB PRO 30 9.516 13.891 4.679 243 1HG PRO 30 1HG PRO 30 7.402 15.667 5.675 244 2HG PRO 30 2HG PRO 30 7.681 15.097 4.042 245 1HD PRO 30 1HD PRO 30 5.764 14.136 5.901 246 2HD PRO 30 2HD PRO 30 6.104 13.508 4.300 247 H PHE 31 H PHE 31 10.519 12.584 7.718 248 HA PHE 31 HA PHE 31 9.134 13.252 10.251 249 1HB PHE 31 1HB PHE 31 11.308 11.245 10.211 250 2HB PHE 31 2HB PHE 31 9.998 11.450 11.355 251 HD1 PHE 31 1HD PHE 31 7.575 10.998 10.400 252 HD2 PHE 31 2HD PHE 31 11.249 9.525 8.667 253 HE1 PHE 31 1HE PHE 31 6.312 9.174 9.265 254 HE2 PHE 31 2HE PHE 31 9.974 7.741 7.474 255 HZ PHE 31 HZ PHE 31 7.521 7.555 7.824 256 H SER 32 H SER 32 11.217 14.447 8.226 257 HA SER 32 HA SER 32 12.645 16.169 9.860 258 1HB SER 32 1HB SER 32 14.965 15.147 9.568 259 2HB SER 32 2HB SER 32 13.949 14.461 10.818 260 HG SER 32 HG SER 32 14.953 12.851 9.525 261 H GLU 33 H GLU 33 14.798 16.819 8.554 262 HA GLU 33 HA GLU 33 14.147 18.088 6.225 263 1HB GLU 33 1HB GLU 33 16.853 16.997 6.931 264 2HB GLU 33 2HB GLU 33 16.528 18.275 5.776 265 1HG GLU 33 1HG GLU 33 15.434 19.523 7.712 266 2HG GLU 33 2HG GLU 33 16.189 18.337 8.757 267 H ASN 34 H ASN 34 12.978 16.997 4.762 268 HA ASN 34 HA ASN 34 14.243 15.389 2.804 269 1HB ASN 34 1HB ASN 34 14.070 13.711 4.659 270 2HB ASN 34 2HB ASN 34 12.329 13.907 4.608 271 1HD2 ASN 34 2HD2 ASN 34 15.081 12.374 3.164 272 2HD2 ASN 34 1HD2 ASN 34 14.199 11.507 1.926 273 H GLN 35 H GLN 35 12.946 15.114 1.018 274 HA GLN 35 HA GLN 35 10.526 16.701 0.969 275 1HB GLN 35 1HB GLN 35 12.547 16.357 -0.816 276 2HB GLN 35 2HB GLN 35 11.283 15.362 -1.508 277 1HG GLN 35 1HG GLN 35 11.198 17.697 -2.317 278 2HG GLN 35 2HG GLN 35 9.738 17.224 -1.471 279 1HE2 GLN 35 2HE2 GLN 35 8.994 18.578 0.074 280 2HE2 GLN 35 1HE2 GLN 35 9.947 19.805 0.877 281 H TRP 36 H TRP 36 9.253 15.315 -1.160 282 HA TRP 36 HA TRP 36 8.444 12.763 0.108 283 1HB TRP 36 1HB TRP 36 6.270 13.311 0.124 284 2HB TRP 36 2HB TRP 36 6.908 14.942 0.202 285 HD1 TRP 36 HD TRP 36 6.118 12.577 -2.786 286 HE1 TRP 36 1HE TRP 36 4.778 13.882 -4.535 287 HE3 TRP 36 3HE TRP 36 5.786 17.030 -0.331 288 HZ2 TRP 36 2HZ TRP 36 3.573 16.458 -4.769 289 HZ3 TRP 36 3HZ TRP 36 4.530 18.913 -1.347 290 HH2 TRP 36 HH TRP 36 3.417 18.635 -3.552 291 H GLY 37 H GLY 37 8.693 14.774 -2.792 292 1HA GLY 37 1HA GLY 37 7.651 12.967 -4.673 293 2HA GLY 37 2HA GLY 37 8.770 14.268 -5.027 294 HA PRO 38 HA PRO 38 10.912 10.137 -5.380 295 1HB PRO 38 1HB PRO 38 11.214 10.023 -8.109 296 2HB PRO 38 2HB PRO 38 9.926 9.239 -7.217 297 1HG PRO 38 1HG PRO 38 9.811 11.653 -8.905 298 2HG PRO 38 2HG PRO 38 8.508 10.587 -8.417 299 1HD PRO 38 1HD PRO 38 9.141 13.129 -7.314 300 2HD PRO 38 2HD PRO 38 7.932 12.001 -6.736 301 H GLN 39 H GLN 39 12.036 12.347 -4.471 302 HA GLN 39 HA GLN 39 14.547 12.656 -5.972 303 1HB GLN 39 1HB GLN 39 13.440 14.693 -6.362 304 2HB GLN 39 2HB GLN 39 12.818 14.763 -4.726 305 1HG GLN 39 1HG GLN 39 14.837 15.423 -3.836 306 2HG GLN 39 2HG GLN 39 15.765 14.688 -5.128 307 1HE2 GLN 39 2HE2 GLN 39 16.905 16.799 -4.841 308 2HE2 GLN 39 1HE2 GLN 39 16.337 18.134 -5.818 309 H GLN 40 H GLN 40 12.896 12.972 -2.816 310 HA GLN 40 HA GLN 40 15.513 12.565 -1.513 311 1HB GLN 40 1HB GLN 40 13.255 14.092 -0.928 312 2HB GLN 40 2HB GLN 40 13.297 12.827 0.283 313 1HG GLN 40 1HG GLN 40 14.729 14.261 1.325 314 2HG GLN 40 2HG GLN 40 15.903 13.515 0.259 315 1HE2 GLN 40 2HE2 GLN 40 16.436 14.622 -1.758 316 2HE2 GLN 40 1HE2 GLN 40 16.246 16.358 -1.851 317 H GLY 41 H GLY 41 12.467 10.939 -2.061 318 1HA GLY 41 1HA GLY 41 13.645 8.444 -0.997 319 2HA GLY 41 2HA GLY 41 12.023 8.905 -0.518 320 HA PRO 42 HA PRO 42 11.533 8.051 -5.146 321 1HB PRO 42 1HB PRO 42 13.729 7.307 -6.632 322 2HB PRO 42 2HB PRO 42 13.068 8.928 -6.565 323 1HG PRO 42 1HG PRO 42 15.536 7.893 -5.356 324 2HG PRO 42 2HG PRO 42 15.069 9.557 -5.646 325 1HD PRO 42 1HD PRO 42 14.986 8.138 -3.174 326 2HD PRO 42 2HD PRO 42 14.460 9.782 -3.477 327 H SER 43 H SER 43 13.771 6.211 -3.255 328 HA SER 43 HA SER 43 13.226 3.641 -4.485 329 1HB SER 43 1HB SER 43 14.448 3.769 -1.803 330 2HB SER 43 2HB SER 43 14.909 2.822 -3.203 331 HG SER 43 HG SER 43 16.429 4.472 -2.721 332 H LEU 44 H LEU 44 10.861 4.097 -4.259 333 HA LEU 44 HA LEU 44 9.875 2.910 -1.725 334 1HB LEU 44 1HB LEU 44 9.011 5.387 -3.118 335 2HB LEU 44 2HB LEU 44 7.792 4.405 -2.331 336 HG LEU 44 HG LEU 44 10.211 5.065 -0.749 337 1HD1 LEU 44 1HD1 LEU 44 9.691 7.271 -1.719 338 2HD1 LEU 44 2HD1 LEU 44 7.987 7.081 -1.176 339 3HD1 LEU 44 3HD1 LEU 44 9.309 7.201 0.036 340 1HD2 LEU 44 1HD2 LEU 44 7.259 5.015 -0.123 341 2HD2 LEU 44 2HD2 LEU 44 8.432 3.688 0.188 342 3HD2 LEU 44 3HD2 LEU 44 8.586 5.249 1.066 343 H ARG 45 H ARG 45 9.217 3.619 -5.179 344 HA ARG 45 HA ARG 45 7.175 1.632 -5.411 345 1HB ARG 45 1HB ARG 45 8.949 2.766 -7.547 346 2HB ARG 45 2HB ARG 45 7.466 1.872 -7.811 347 1HG ARG 45 1HG ARG 45 7.831 4.618 -6.701 348 2HG ARG 45 2HG ARG 45 6.795 4.087 -8.011 349 1HD ARG 45 1HD ARG 45 5.536 2.755 -6.176 350 2HD ARG 45 2HD ARG 45 6.363 3.815 -5.054 351 HE ARG 45 HE ARG 45 4.091 4.459 -6.629 352 1HH1 ARG 45 1HH2 ARG 45 6.996 5.891 -5.294 353 2HH1 ARG 45 2HH2 ARG 45 6.390 7.520 -5.496 354 1HH2 ARG 45 1HH1 ARG 45 3.430 6.560 -6.963 355 2HH2 ARG 45 2HH1 ARG 45 4.430 7.886 -6.414 356 H GLU 46 H GLU 46 10.645 1.554 -6.076 357 HA GLU 46 HA GLU 46 10.585 -1.235 -6.883 358 1HB GLU 46 1HB GLU 46 12.842 0.626 -6.169 359 2HB GLU 46 2HB GLU 46 13.059 -0.993 -6.806 360 1HG GLU 46 1HG GLU 46 11.749 -0.340 -8.811 361 2HG GLU 46 2HG GLU 46 11.648 1.293 -8.182 362 H GLN 47 H GLN 47 11.093 0.569 -3.917 363 HA GLN 47 HA GLN 47 12.152 -1.661 -2.434 364 1HB GLN 47 1HB GLN 47 11.726 1.066 -1.950 365 2HB GLN 47 2HB GLN 47 10.781 0.191 -0.760 366 1HG GLN 47 1HG GLN 47 13.079 -1.213 -0.645 367 2HG GLN 47 2HG GLN 47 13.713 0.358 -1.091 368 1HE2 GLN 47 2HE2 GLN 47 11.623 1.885 0.283 369 2HE2 GLN 47 1HE2 GLN 47 11.933 1.713 1.996 370 H CYS 48 H CYS 48 8.906 -0.074 -2.455 371 HA CYS 48 HA CYS 48 7.642 -2.012 -0.877 372 1HB CYS 48 1HB CYS 48 6.264 -0.239 -1.134 373 2HB CYS 48 2HB CYS 48 6.645 -0.045 -2.834 374 H CYS 49 H CYS 49 8.292 -2.019 -4.357 375 HA CYS 49 HA CYS 49 6.907 -4.355 -5.033 376 1HB CYS 49 1HB CYS 49 8.733 -2.673 -6.237 377 2HB CYS 49 2HB CYS 49 9.492 -4.252 -6.270 378 H ASN 50 H ASN 50 9.554 -4.095 -2.877 379 HA ASN 50 HA ASN 50 10.013 -7.023 -2.833 380 1HB ASN 50 1HB ASN 50 11.774 -4.729 -2.755 381 2HB ASN 50 2HB ASN 50 12.003 -5.756 -1.355 382 1HD2 ASN 50 2HD2 ASN 50 11.561 -5.948 -4.875 383 2HD2 ASN 50 1HD2 ASN 50 12.667 -7.283 -5.111 384 H GLU 51 H GLU 51 9.681 -4.143 -0.769 385 HA GLU 51 HA GLU 51 9.599 -5.422 1.734 386 1HB GLU 51 1HB GLU 51 9.386 -3.321 2.470 387 2HB GLU 51 2HB GLU 51 9.456 -2.825 0.791 388 1HG GLU 51 1HG GLU 51 6.935 -3.157 0.729 389 2HG GLU 51 2HG GLU 51 7.005 -3.296 2.474 390 H LEU 52 H LEU 52 7.224 -5.308 -0.807 391 HA LEU 52 HA LEU 52 5.143 -6.277 1.025 392 1HB LEU 52 1HB LEU 52 3.657 -5.360 -0.381 393 2HB LEU 52 2HB LEU 52 5.050 -4.389 -0.816 394 HG LEU 52 HG LEU 52 4.068 -4.925 -2.818 395 1HD1 LEU 52 1HD1 LEU 52 6.456 -5.440 -3.067 396 2HD1 LEU 52 2HD1 LEU 52 6.130 -7.134 -2.563 397 3HD1 LEU 52 3HD1 LEU 52 5.436 -6.504 -4.097 398 1HD2 LEU 52 1HD2 LEU 52 3.689 -7.708 -1.721 399 2HD2 LEU 52 2HD2 LEU 52 2.436 -6.434 -1.919 400 3HD2 LEU 52 3HD2 LEU 52 3.202 -7.172 -3.368 401 H TYR 53 H TYR 53 7.641 -7.495 -0.713 402 HA TYR 53 HA TYR 53 6.338 -9.987 -1.619 403 1HB TYR 53 1HB TYR 53 8.138 -8.217 -2.815 404 2HB TYR 53 2HB TYR 53 9.080 -9.639 -2.411 405 HD1 TYR 53 1HD TYR 53 7.962 -11.953 -3.084 406 HD2 TYR 53 2HD TYR 53 7.077 -8.136 -4.870 407 HE1 TYR 53 1HE TYR 53 7.182 -13.085 -5.159 408 HE2 TYR 53 2HE TYR 53 6.380 -9.269 -6.972 409 HH TYR 53 HH TYR 53 5.753 -11.264 -7.851 410 H GLN 54 H GLN 54 7.603 -8.932 1.108 411 HA GLN 54 HA GLN 54 9.452 -11.149 1.645 412 1HB GLN 54 1HB GLN 54 9.734 -9.990 3.840 413 2HB GLN 54 2HB GLN 54 10.226 -9.056 2.441 414 1HG GLN 54 1HG GLN 54 8.245 -7.746 2.526 415 2HG GLN 54 2HG GLN 54 7.542 -8.787 3.748 416 1HE2 GLN 54 2HE2 GLN 54 8.173 -5.827 3.656 417 2HE2 GLN 54 1HE2 GLN 54 9.086 -5.556 5.124 418 H GLU 55 H GLU 55 6.228 -10.018 2.454 419 HA GLU 55 HA GLU 55 5.867 -12.091 4.461 420 1HB GLU 55 1HB GLU 55 4.005 -10.057 3.306 421 2HB GLU 55 2HB GLU 55 3.584 -11.167 4.593 422 1HG GLU 55 1HG GLU 55 5.412 -10.248 5.963 423 2HG GLU 55 2HG GLU 55 5.779 -9.109 4.683 424 H ASP 56 H ASP 56 6.373 -12.659 1.488 425 HA ASP 56 HA ASP 56 5.871 -14.432 0.126 426 1HB ASP 56 1HB ASP 56 4.838 -15.406 2.321 427 2HB ASP 56 2HB ASP 56 3.315 -14.997 1.558 428 H GLN 57 H GLN 57 3.703 -15.178 -1.207 429 HA GLN 57 HA GLN 57 2.655 -12.775 -2.455 430 1HB GLN 57 1HB GLN 57 2.840 -15.629 -3.048 431 2HB GLN 57 2HB GLN 57 1.382 -14.858 -3.637 432 1HG GLN 57 1HG GLN 57 3.235 -14.769 -5.269 433 2HG GLN 57 2HG GLN 57 2.682 -13.180 -4.782 434 1HE2 GLN 57 2HE2 GLN 57 5.227 -15.559 -4.513 435 2HE2 GLN 57 1HE2 GLN 57 6.431 -14.488 -3.831 436 H VAL 58 H VAL 58 1.596 -15.047 -0.095 437 HA VAL 58 HA VAL 58 -1.208 -14.469 -0.433 438 HB VAL 58 HB VAL 58 -0.349 -15.595 2.104 439 1HG1 VAL 58 1HG1 VAL 58 -2.702 -15.502 1.418 440 2HG1 VAL 58 2HG1 VAL 58 -2.310 -16.433 -0.069 441 3HG1 VAL 58 3HG1 VAL 58 -2.158 -17.211 1.545 442 1HG2 VAL 58 1HG2 VAL 58 0.188 -17.115 -0.480 443 2HG2 VAL 58 2HG2 VAL 58 1.433 -16.555 0.690 444 3HG2 VAL 58 3HG2 VAL 58 0.243 -17.812 1.177 445 H CYS 59 H CYS 59 1.282 -12.731 0.823 446 HA CYS 59 HA CYS 59 -0.477 -11.035 2.462 447 1HB CYS 59 1HB CYS 59 2.462 -11.410 2.606 448 2HB CYS 59 2HB CYS 59 1.528 -10.279 3.565 449 H VAL 60 H VAL 60 0.261 -11.194 -0.534 450 HA VAL 60 HA VAL 60 1.234 -8.468 -0.952 451 HB VAL 60 HB VAL 60 0.675 -10.821 -2.641 452 1HG1 VAL 60 1HG1 VAL 60 -0.596 -9.097 -3.809 453 2HG1 VAL 60 2HG1 VAL 60 0.830 -8.005 -3.759 454 3HG1 VAL 60 3HG1 VAL 60 0.889 -9.518 -4.730 455 1HG2 VAL 60 1HG2 VAL 60 2.970 -8.881 -2.334 456 2HG2 VAL 60 2HG2 VAL 60 2.839 -10.529 -1.624 457 3HG2 VAL 60 3HG2 VAL 60 2.973 -10.325 -3.406 458 H CYS 61 H CYS 61 -1.761 -10.193 -0.818 459 HA CYS 61 HA CYS 61 -3.340 -7.927 -0.583 460 1HB CYS 61 1HB CYS 61 -2.799 -8.628 -3.347 461 2HB CYS 61 2HB CYS 61 -4.506 -8.545 -2.961 462 HA PRO 62 HA PRO 62 -5.450 -7.399 -0.970 463 1HB PRO 62 1HB PRO 62 -7.476 -7.170 0.830 464 2HB PRO 62 2HB PRO 62 -7.712 -7.558 -0.863 465 1HG PRO 62 1HG PRO 62 -7.894 -9.322 1.488 466 2HG PRO 62 2HG PRO 62 -8.560 -9.553 -0.117 467 1HD PRO 62 1HD PRO 62 -6.202 -10.751 0.969 468 2HD PRO 62 2HD PRO 62 -6.831 -10.930 -0.656 469 H THR 63 H THR 63 -4.028 -9.187 1.340 470 HA THR 63 HA THR 63 -3.747 -7.891 3.678 471 HB THR 63 HB THR 63 -1.227 -8.530 2.314 472 HG1 THR 63 1HG THR 63 -1.844 -10.755 2.255 473 1HG2 THR 63 1HG2 THR 63 -1.350 -8.290 4.756 474 2HG2 THR 63 2HG2 THR 63 -2.579 -9.600 4.800 475 3HG2 THR 63 3HG2 THR 63 -0.899 -9.960 4.269 476 H LEU 64 H LEU 64 -2.090 -6.766 0.691 477 HA LEU 64 HA LEU 64 -0.795 -4.540 1.736 478 1HB LEU 64 1HB LEU 64 -1.451 -5.537 -0.777 479 2HB LEU 64 2HB LEU 64 -2.078 -3.902 -0.751 480 HG LEU 64 HG LEU 64 0.625 -4.177 0.329 481 1HD1 LEU 64 1HD1 LEU 64 0.771 -5.851 -1.437 482 2HD1 LEU 64 2HD1 LEU 64 0.105 -4.663 -2.611 483 3HD1 LEU 64 3HD1 LEU 64 1.715 -4.382 -1.862 484 1HD2 LEU 64 1HD2 LEU 64 -0.603 -2.357 -1.767 485 2HD2 LEU 64 2HD2 LEU 64 -0.439 -1.991 -0.015 486 3HD2 LEU 64 3HD2 LEU 64 1.030 -2.164 -1.040 487 H LYS 65 H LYS 65 -4.209 -4.731 0.708 488 HA LYS 65 HA LYS 65 -5.142 -2.189 1.187 489 1HB LYS 65 1HB LYS 65 -6.519 -4.108 0.408 490 2HB LYS 65 2HB LYS 65 -6.561 -4.698 2.058 491 1HG LYS 65 1HG LYS 65 -7.332 -1.907 1.840 492 2HG LYS 65 2HG LYS 65 -8.372 -2.973 0.916 493 1HD LYS 65 1HD LYS 65 -7.700 -3.766 3.706 494 2HD LYS 65 2HD LYS 65 -8.844 -2.460 3.481 495 1HE LYS 65 1HE LYS 65 -10.420 -4.026 3.201 496 2HE LYS 65 2HE LYS 65 -9.660 -4.401 1.667 497 1HZ LYS 65 1HZ LYS 65 -8.313 -6.020 2.786 498 2HZ LYS 65 2HZ LYS 65 -9.031 -5.666 4.236 499 3HZ LYS 65 3HZ LYS 65 -9.919 -6.347 3.014 500 H GLN 66 H GLN 66 -4.346 -4.625 3.653 501 HA GLN 66 HA GLN 66 -5.228 -3.231 5.918 502 1HB GLN 66 1HB GLN 66 -4.144 -5.630 5.584 503 2HB GLN 66 2HB GLN 66 -2.720 -4.775 6.137 504 1HG GLN 66 1HG GLN 66 -3.943 -5.846 7.988 505 2HG GLN 66 2HG GLN 66 -3.873 -4.104 8.165 506 1HE2 GLN 66 2HE2 GLN 66 -5.760 -2.901 8.121 507 2HE2 GLN 66 1HE2 GLN 66 -7.351 -3.590 7.890 508 H ALA 67 H ALA 67 -1.786 -3.370 4.837 509 HA ALA 67 HA ALA 67 -0.948 -1.158 6.350 510 1HB ALA 67 1HB ALA 67 0.604 -2.713 5.316 511 2HB ALA 67 2HB ALA 67 0.078 -2.168 3.685 512 3HB ALA 67 3HB ALA 67 0.951 -1.034 4.773 513 H ALA 68 H ALA 68 -2.785 -1.237 3.392 514 HA ALA 68 HA ALA 68 -2.533 1.556 2.758 515 1HB ALA 68 1HB ALA 68 -2.946 -0.085 1.007 516 2HB ALA 68 2HB ALA 68 -4.488 -0.554 1.806 517 3HB ALA 68 3HB ALA 68 -4.305 1.090 1.103 518 H LYS 69 H LYS 69 -4.245 -0.111 5.152 519 HA LYS 69 HA LYS 69 -6.548 1.627 5.303 520 1HB LYS 69 1HB LYS 69 -6.178 -0.827 6.191 521 2HB LYS 69 2HB LYS 69 -5.627 0.021 7.623 522 1HG LYS 69 1HG LYS 69 -7.866 -0.107 8.117 523 2HG LYS 69 2HG LYS 69 -7.871 1.393 7.211 524 1HD LYS 69 1HD LYS 69 -8.640 0.325 5.245 525 2HD LYS 69 2HD LYS 69 -8.268 -1.268 5.873 526 1HE LYS 69 1HE LYS 69 -10.107 0.080 7.627 527 2HE LYS 69 2HE LYS 69 -10.732 0.075 5.989 528 1HZ LYS 69 1HZ LYS 69 -10.425 -2.291 5.933 529 2HZ LYS 69 2HZ LYS 69 -9.834 -2.284 7.479 530 3HZ LYS 69 3HZ LYS 69 -11.410 -1.865 7.194 531 H SER 70 H SER 70 -3.548 1.256 7.212 532 HA SER 70 HA SER 70 -3.928 3.784 8.604 533 1HB SER 70 1HB SER 70 -2.760 1.799 9.566 534 2HB SER 70 2HB SER 70 -1.453 2.097 8.439 535 HG SER 70 HG SER 70 -1.079 3.052 10.484 536 H VAL 71 H VAL 71 -3.143 3.184 5.466 537 HA VAL 71 HA VAL 71 -0.978 4.974 5.023 538 HB VAL 71 HB VAL 71 -2.775 3.388 3.522 539 1HG1 VAL 71 1HG1 VAL 71 -3.849 5.392 2.747 540 2HG1 VAL 71 2HG1 VAL 71 -2.247 6.060 2.278 541 3HG1 VAL 71 3HG1 VAL 71 -2.892 4.605 1.443 542 1HG2 VAL 71 1HG2 VAL 71 -0.215 4.720 2.672 543 2HG2 VAL 71 2HG2 VAL 71 -0.380 3.094 3.422 544 3HG2 VAL 71 3HG2 VAL 71 -1.072 3.406 1.792 545 H ARG 72 H ARG 72 -4.120 5.597 6.031 546 HA ARG 72 HA ARG 72 -4.074 8.392 5.115 547 1HB ARG 72 1HB ARG 72 -6.519 8.079 6.161 548 2HB ARG 72 2HB ARG 72 -6.118 7.812 4.476 549 1HG ARG 72 1HG ARG 72 -5.966 5.454 4.815 550 2HG ARG 72 2HG ARG 72 -6.118 5.642 6.549 551 1HD ARG 72 1HD ARG 72 -8.388 6.474 6.265 552 2HD ARG 72 2HD ARG 72 -8.237 6.294 4.527 553 HE ARG 72 HE ARG 72 -7.674 3.797 5.356 554 1HH1 ARG 72 1HH2 ARG 72 -10.322 5.935 6.235 555 2HH1 ARG 72 2HH2 ARG 72 -11.406 4.596 6.542 556 1HH2 ARG 72 1HH1 ARG 72 -9.133 2.155 5.769 557 2HH2 ARG 72 2HH1 ARG 72 -10.759 2.541 6.288 558 H VAL 73 H VAL 73 -5.699 7.051 7.854 559 HA VAL 73 HA VAL 73 -3.921 8.228 9.820 560 HB VAL 73 HB VAL 73 -6.571 9.394 9.093 561 1HG1 VAL 73 1HG1 VAL 73 -6.892 8.847 11.473 562 2HG1 VAL 73 2HG1 VAL 73 -5.351 9.689 11.854 563 3HG1 VAL 73 3HG1 VAL 73 -6.747 10.619 11.207 564 1HG2 VAL 73 1HG2 VAL 73 -3.905 10.576 9.953 565 2HG2 VAL 73 2HG2 VAL 73 -4.529 10.465 8.271 566 3HG2 VAL 73 3HG2 VAL 73 -5.353 11.525 9.468 567 H GLN 74 H GLN 74 -4.602 7.582 11.993 568 HA GLN 74 HA GLN 74 -5.361 5.013 12.488 569 1HB GLN 74 1HB GLN 74 -5.531 7.531 14.061 570 2HB GLN 74 2HB GLN 74 -6.302 6.099 14.710 571 1HG GLN 74 1HG GLN 74 -3.522 5.858 13.669 572 2HG GLN 74 2HG GLN 74 -3.762 6.626 15.226 573 1HE2 GLN 74 2HE2 GLN 74 -3.278 5.183 16.791 574 2HE2 GLN 74 1HE2 GLN 74 -3.831 3.523 16.829 575 H GLY 75 H GLY 75 -7.336 4.265 13.730 576 1HA GLY 75 1HA GLY 75 -9.629 4.385 12.027 577 2HA GLY 75 2HA GLY 75 -9.528 3.605 13.593 578 H GLN 76 H GLN 76 -9.465 6.931 12.365 579 HA GLN 76 HA GLN 76 -11.774 7.786 13.890 580 1HB GLN 76 1HB GLN 76 -9.139 8.128 14.914 581 2HB GLN 76 2HB GLN 76 -9.753 9.703 14.454 582 1HG GLN 76 1HG GLN 76 -11.939 8.584 15.644 583 2HG GLN 76 2HG GLN 76 -10.636 7.894 16.591 584 1HE2 GLN 76 2HE2 GLN 76 -12.725 9.807 17.371 585 2HE2 GLN 76 1HE2 GLN 76 -11.880 11.224 17.950 586 H HIS 77 H HIS 77 -10.483 7.577 11.039 587 HA HIS 77 HA HIS 77 -10.792 10.365 10.206 588 1HB HIS 77 1HB HIS 77 -8.917 8.821 9.433 589 2HB HIS 77 2HB HIS 77 -10.122 8.075 8.403 590 HD1 HIS 77 1HD HIS 77 -9.727 11.838 9.125 591 HD2 HIS 77 2HD HIS 77 -9.526 9.019 5.982 592 HE1 HIS 77 1HE HIS 77 -9.428 13.192 6.959 593 HE2 HIS 77 2HE HIS 77 -9.322 11.471 5.059 594 H GLY 78 H GLY 78 -11.696 8.886 7.572 595 1HA GLY 78 1HA GLY 78 -14.330 7.990 7.905 596 2HA GLY 78 2HA GLY 78 -14.387 9.722 7.641 597 HA PRO 79 HA PRO 79 -14.218 7.600 3.543 598 1HB PRO 79 1HB PRO 79 -16.464 8.829 2.521 599 2HB PRO 79 2HB PRO 79 -16.444 7.245 3.271 600 1HG PRO 79 1HG PRO 79 -17.493 9.775 4.331 601 2HG PRO 79 2HG PRO 79 -17.823 8.137 4.861 602 1HD PRO 79 1HD PRO 79 -16.087 10.021 6.092 603 2HD PRO 79 2HD PRO 79 -16.326 8.347 6.550 604 H PHE 80 H PHE 80 -12.395 8.691 2.898 605 HA PHE 80 HA PHE 80 -12.751 11.063 1.279 606 1HB PHE 80 1HB PHE 80 -12.257 11.447 4.039 607 2HB PHE 80 2HB PHE 80 -10.761 11.812 3.204 608 HD1 PHE 80 1HD PHE 80 -10.689 13.584 1.449 609 HD2 PHE 80 2HD PHE 80 -14.143 12.898 3.950 610 HE1 PHE 80 1HE PHE 80 -11.557 15.850 0.882 611 HE2 PHE 80 2HE PHE 80 -15.025 15.149 3.354 612 HZ PHE 80 HZ PHE 80 -13.724 16.624 1.829 613 H GLN 81 H GLN 81 -10.326 9.459 3.297 614 HA GLN 81 HA GLN 81 -8.313 9.740 1.219 615 1HB GLN 81 1HB GLN 81 -8.246 8.281 3.825 616 2HB GLN 81 2HB GLN 81 -6.877 8.513 2.755 617 1HG GLN 81 1HG GLN 81 -8.243 10.984 3.370 618 2HG GLN 81 2HG GLN 81 -7.650 10.170 4.804 619 1HE2 GLN 81 2HE2 GLN 81 -6.205 11.788 5.247 620 2HE2 GLN 81 1HE2 GLN 81 -4.735 11.987 4.320 621 H SER 82 H SER 82 -9.656 6.899 2.973 622 HA SER 82 HA SER 82 -8.846 4.832 1.438 623 1HB SER 82 1HB SER 82 -11.097 3.765 1.815 624 2HB SER 82 2HB SER 82 -10.239 4.309 3.243 625 HG SER 82 HG SER 82 -12.446 4.955 3.248 626 H THR 83 H THR 83 -11.403 7.091 0.429 627 HA THR 83 HA THR 83 -12.129 5.942 -1.987 628 HB THR 83 HB THR 83 -11.958 8.645 -0.902 629 HG1 THR 83 1HG THR 83 -14.127 8.581 -1.604 630 1HG2 THR 83 1HG2 THR 83 -11.037 9.154 -3.120 631 2HG2 THR 83 2HG2 THR 83 -12.421 8.289 -3.876 632 3HG2 THR 83 3HG2 THR 83 -12.707 9.790 -2.927 633 H ARG 84 H ARG 84 -9.543 8.470 -1.885 634 HA ARG 84 HA ARG 84 -8.571 7.602 -4.470 635 1HB ARG 84 1HB ARG 84 -8.448 9.959 -3.074 636 2HB ARG 84 2HB ARG 84 -6.809 9.352 -2.949 637 1HG ARG 84 1HG ARG 84 -6.591 10.386 -4.972 638 2HG ARG 84 2HG ARG 84 -7.256 8.874 -5.558 639 1HD ARG 84 1HD ARG 84 -9.445 9.795 -5.700 640 2HD ARG 84 2HD ARG 84 -8.965 11.234 -4.824 641 HE ARG 84 HE ARG 84 -7.423 10.895 -7.229 642 1HH1 ARG 84 1HH2 ARG 84 -10.541 12.017 -6.094 643 2HH1 ARG 84 2HH2 ARG 84 -10.754 13.094 -7.457 644 1HH2 ARG 84 1HH1 ARG 84 -7.746 12.298 -8.941 645 2HH2 ARG 84 2HH1 ARG 84 -9.212 13.248 -9.026 646 H ILE 85 H ILE 85 -7.522 7.283 -1.142 647 HA ILE 85 HA ILE 85 -4.991 6.261 -1.396 648 HB ILE 85 HB ILE 85 -7.199 5.726 0.508 649 1HG1 ILE 85 1HG1 ILE 85 -6.126 7.810 0.766 650 2HG1 ILE 85 2HG1 ILE 85 -5.598 6.783 2.085 651 1HG2 ILE 85 1HG2 ILE 85 -6.108 3.552 0.382 652 2HG2 ILE 85 2HG2 ILE 85 -4.510 4.333 0.641 653 3HG2 ILE 85 3HG2 ILE 85 -5.743 4.352 1.949 654 1HD1 ILE 85 1HD1 ILE 85 -3.479 6.340 0.919 655 2HD1 ILE 85 2HD1 ILE 85 -4.023 7.393 -0.433 656 3HD1 ILE 85 3HD1 ILE 85 -3.732 8.099 1.195 657 H TYR 86 H TYR 86 -8.014 4.379 -1.523 658 HA TYR 86 HA TYR 86 -6.704 1.957 -2.340 659 1HB TYR 86 1HB TYR 86 -9.525 2.937 -2.325 660 2HB TYR 86 2HB TYR 86 -9.088 1.354 -2.933 661 HD1 TYR 86 1HD TYR 86 -9.593 -0.361 -1.530 662 HD2 TYR 86 2HD TYR 86 -8.218 3.349 0.148 663 HE1 TYR 86 1HE TYR 86 -9.757 -1.309 0.762 664 HE2 TYR 86 2HE TYR 86 -8.392 2.431 2.450 665 HH TYR 86 HH TYR 86 -8.973 0.620 3.639 666 H GLN 87 H GLN 87 -8.374 4.622 -4.039 667 HA GLN 87 HA GLN 87 -8.268 3.425 -6.612 668 1HB GLN 87 1HB GLN 87 -9.224 5.790 -5.531 669 2HB GLN 87 2HB GLN 87 -8.032 6.286 -6.715 670 1HG GLN 87 1HG GLN 87 -9.766 4.180 -7.716 671 2HG GLN 87 2HG GLN 87 -10.659 5.611 -7.242 672 1HE2 GLN 87 2HE2 GLN 87 -9.886 7.722 -8.129 673 2HE2 GLN 87 1HE2 GLN 87 -9.133 7.729 -9.708 674 H ILE 88 H ILE 88 -5.716 4.565 -4.715 675 HA ILE 88 HA ILE 88 -3.919 4.846 -7.048 676 HB ILE 88 HB ILE 88 -3.697 6.051 -4.303 677 1HG1 ILE 88 1HG1 ILE 88 -4.115 7.465 -6.935 678 2HG1 ILE 88 2HG1 ILE 88 -5.396 7.155 -5.779 679 1HG2 ILE 88 1HG2 ILE 88 -1.514 5.440 -5.241 680 2HG2 ILE 88 2HG2 ILE 88 -1.930 6.308 -6.761 681 3HG2 ILE 88 3HG2 ILE 88 -1.725 7.226 -5.228 682 1HD1 ILE 88 1HD1 ILE 88 -4.186 8.461 -4.055 683 2HD1 ILE 88 2HD1 ILE 88 -2.873 8.780 -5.241 684 3HD1 ILE 88 3HD1 ILE 88 -4.517 9.454 -5.516 685 H ALA 89 H ALA 89 -4.560 3.266 -3.981 686 HA ALA 89 HA ALA 89 -2.113 1.705 -4.106 687 1HB ALA 89 1HB ALA 89 -2.968 2.377 -1.935 688 2HB ALA 89 2HB ALA 89 -4.520 1.536 -2.277 689 3HB ALA 89 3HB ALA 89 -3.004 0.586 -2.092 690 H LYS 90 H LYS 90 -4.602 1.638 -6.075 691 HA LYS 90 HA LYS 90 -5.003 -1.277 -6.139 692 1HB LYS 90 1HB LYS 90 -6.742 -0.837 -7.733 693 2HB LYS 90 2HB LYS 90 -6.964 0.166 -6.313 694 1HG LYS 90 1HG LYS 90 -7.233 1.841 -7.771 695 2HG LYS 90 2HG LYS 90 -5.490 1.797 -7.924 696 1HD LYS 90 1HD LYS 90 -5.557 0.857 -9.993 697 2HD LYS 90 2HD LYS 90 -6.982 -0.094 -9.629 698 1HE LYS 90 1HE LYS 90 -7.255 1.755 -11.358 699 2HE LYS 90 2HE LYS 90 -8.431 1.717 -10.059 700 1HZ LYS 90 1HZ LYS 90 -7.169 3.389 -8.935 701 2HZ LYS 90 2HZ LYS 90 -6.058 3.424 -10.161 702 3HZ LYS 90 3HZ LYS 90 -7.613 3.916 -10.438 703 H ASN 91 H ASN 91 -3.708 1.383 -8.120 704 HA ASN 91 HA ASN 91 -2.656 -0.465 -10.103 705 1HB ASN 91 1HB ASN 91 -1.632 1.608 -11.034 706 2HB ASN 91 2HB ASN 91 -3.382 1.634 -10.918 707 1HD2 ASN 91 2HD2 ASN 91 -4.085 3.574 -10.382 708 2HD2 ASN 91 1HD2 ASN 91 -3.363 4.614 -9.175 709 H LEU 92 H LEU 92 -1.773 -0.256 -7.059 710 HA LEU 92 HA LEU 92 1.072 0.180 -7.303 711 1HB LEU 92 1HB LEU 92 -0.855 -0.445 -5.228 712 2HB LEU 92 2HB LEU 92 0.640 -1.337 -5.033 713 HG LEU 92 HG LEU 92 0.585 1.619 -5.497 714 1HD1 LEU 92 1HD1 LEU 92 -0.741 1.121 -3.476 715 2HD1 LEU 92 2HD1 LEU 92 0.608 0.110 -2.852 716 3HD1 LEU 92 3HD1 LEU 92 0.828 1.884 -3.040 717 1HD2 LEU 92 1HD2 LEU 92 2.663 -0.257 -4.304 718 2HD2 LEU 92 2HD2 LEU 92 2.724 0.466 -5.949 719 3HD2 LEU 92 3HD2 LEU 92 2.844 1.520 -4.498 720 HA PRO 93 HA PRO 93 1.395 -4.589 -7.371 721 1HB PRO 93 1HB PRO 93 -0.927 -6.080 -7.494 722 2HB PRO 93 2HB PRO 93 -0.049 -5.750 -6.014 723 1HG PRO 93 1HG PRO 93 -2.584 -4.620 -6.942 724 2HG PRO 93 2HG PRO 93 -1.901 -4.614 -5.329 725 1HD PRO 93 1HD PRO 93 -1.956 -2.486 -7.194 726 2HD PRO 93 2HD PRO 93 -1.214 -2.501 -5.607 727 H ASN 94 H ASN 94 -1.392 -3.240 -9.164 728 HA ASN 94 HA ASN 94 -1.210 -4.943 -11.424 729 1HB ASN 94 1HB ASN 94 -2.048 -2.108 -11.035 730 2HB ASN 94 2HB ASN 94 -2.040 -2.831 -12.630 731 1HD2 ASN 94 2HD2 ASN 94 -4.022 -2.083 -10.175 732 2HD2 ASN 94 1HD2 ASN 94 -5.206 -3.361 -10.335 733 H VAL 95 H VAL 95 1.031 -2.647 -10.288 734 HA VAL 95 HA VAL 95 2.506 -2.569 -12.858 735 HB VAL 95 HB VAL 95 2.698 -0.517 -10.682 736 1HG1 VAL 95 1HG1 VAL 95 4.577 -0.595 -12.281 737 2HG1 VAL 95 2HG1 VAL 95 3.409 -0.461 -13.642 738 3HG1 VAL 95 3HG1 VAL 95 3.609 0.906 -12.491 739 1HG2 VAL 95 1HG2 VAL 95 0.951 -0.383 -13.177 740 2HG2 VAL 95 2HG2 VAL 95 0.350 -0.503 -11.487 741 3HG2 VAL 95 3HG2 VAL 95 1.239 0.965 -12.024 742 H CYS 96 H CYS 96 2.473 -3.647 -9.657 743 HA CYS 96 HA CYS 96 5.345 -4.304 -9.796 744 1HB CYS 96 1HB CYS 96 3.838 -3.015 -7.682 745 2HB CYS 96 2HB CYS 96 4.719 -4.423 -7.122 746 H ASN 97 H ASN 97 3.200 -5.841 -10.966 747 HA ASN 97 HA ASN 97 1.801 -7.745 -9.897 748 1HB ASN 97 1HB ASN 97 3.836 -7.961 -12.025 749 2HB ASN 97 2HB ASN 97 3.141 -9.455 -11.427 750 1HD2 ASN 97 2HD2 ASN 97 2.275 -6.250 -12.690 751 2HD2 ASN 97 1HD2 ASN 97 0.788 -6.772 -13.451 752 H MET 98 H MET 98 1.916 -8.663 -7.986 753 HA MET 98 HA MET 98 4.400 -10.063 -7.259 754 1HB MET 98 1HB MET 98 4.219 -9.088 -4.960 755 2HB MET 98 2HB MET 98 4.760 -8.005 -6.227 756 1HG MET 98 1HG MET 98 2.022 -7.687 -6.175 757 2HG MET 98 2HG MET 98 2.477 -7.819 -4.488 758 1HE MET 98 1HE MET 98 1.049 -5.226 -5.295 759 2HE MET 98 2HE MET 98 1.819 -5.454 -3.686 760 3HE MET 98 3HE MET 98 2.145 -3.962 -4.636 761 H LYS 99 H LYS 99 1.685 -10.824 -8.167 762 HA LYS 99 HA LYS 99 1.245 -12.906 -6.217 763 1HB LYS 99 1HB LYS 99 0.069 -11.157 -5.096 764 2HB LYS 99 2HB LYS 99 -0.773 -10.717 -6.568 765 1HG LYS 99 1HG LYS 99 -2.407 -12.062 -5.957 766 2HG LYS 99 2HG LYS 99 -1.314 -13.410 -6.196 767 1HD LYS 99 1HD LYS 99 -1.030 -13.745 -3.988 768 2HD LYS 99 2HD LYS 99 -1.082 -12.034 -3.613 769 1HE LYS 99 1HE LYS 99 -3.341 -12.024 -3.326 770 2HE LYS 99 2HE LYS 99 -3.605 -13.290 -4.508 771 1HZ LYS 99 1HZ LYS 99 -2.780 -14.871 -2.929 772 2HZ LYS 99 2HZ LYS 99 -2.530 -13.675 -1.812 773 3HZ LYS 99 3HZ LYS 99 -4.068 -14.044 -2.301 774 H GLN 100 H GLN 100 1.639 -14.318 -7.802 775 HA GLN 100 HA GLN 100 0.107 -14.211 -10.279 776 1HB GLN 100 1HB GLN 100 2.588 -15.047 -9.761 777 2HB GLN 100 2HB GLN 100 1.744 -16.577 -9.652 778 1HG GLN 100 1HG GLN 100 1.310 -14.688 -11.950 779 2HG GLN 100 2HG GLN 100 2.596 -15.878 -11.969 780 1HE2 GLN 100 2HE2 GLN 100 2.057 -18.132 -11.943 781 2HE2 GLN 100 1HE2 GLN 100 0.483 -18.663 -12.491 782 H ILE 101 H ILE 101 -1.558 -14.358 -8.073 783 HA ILE 101 HA ILE 101 -2.884 -16.918 -8.553 784 HB ILE 101 HB ILE 101 -1.835 -17.652 -6.670 785 1HG1 ILE 101 1HG1 ILE 101 -3.436 -17.712 -4.846 786 2HG1 ILE 101 2HG1 ILE 101 -4.277 -16.328 -5.512 787 1HG2 ILE 101 1HG2 ILE 101 -0.635 -15.625 -6.006 788 2HG2 ILE 101 2HG2 ILE 101 -2.160 -14.957 -5.325 789 3HG2 ILE 101 3HG2 ILE 101 -1.413 -16.418 -4.592 790 1HD1 ILE 101 1HD1 ILE 101 -4.842 -17.621 -7.547 791 2HD1 ILE 101 2HD1 ILE 101 -3.980 -19.044 -6.862 792 3HD1 ILE 101 3HD1 ILE 101 -5.467 -18.423 -6.063 793 H GLY 102 H GLY 102 -3.160 -13.898 -6.667 794 1HA GLY 102 1HA GLY 102 -5.709 -13.311 -7.999 795 2HA GLY 102 2HA GLY 102 -5.809 -13.629 -6.279 796 H THR 103 H THR 103 -4.269 -11.648 -8.707 797 HA THR 103 HA THR 103 -2.967 -9.771 -6.982 798 HB THR 103 HB THR 103 -3.605 -8.779 -9.647 799 HG1 THR 103 1HG THR 103 -2.464 -10.440 -10.743 800 1HG2 THR 103 1HG2 THR 103 -1.661 -8.009 -8.326 801 2HG2 THR 103 2HG2 THR 103 -0.981 -9.673 -8.402 802 3HG2 THR 103 3HG2 THR 103 -1.159 -8.704 -9.907 803 H CYS 104 H CYS 104 -4.296 -8.777 -5.585 804 HA CYS 104 HA CYS 104 -6.632 -8.211 -5.034 805 1HB CYS 104 1HB CYS 104 -5.853 -5.521 -5.346 806 2HB CYS 104 2HB CYS 104 -5.871 -6.505 -3.897 807 HA PRO 105 HA PRO 105 -8.073 -7.329 -9.228 808 1HB PRO 105 1HB PRO 105 -10.127 -9.185 -9.317 809 2HB PRO 105 2HB PRO 105 -8.485 -9.470 -9.857 810 1HG PRO 105 1HG PRO 105 -9.828 -10.435 -7.430 811 2HG PRO 105 2HG PRO 105 -8.380 -11.046 -8.206 812 1HD PRO 105 1HD PRO 105 -8.499 -9.460 -5.877 813 2HD PRO 105 2HD PRO 105 -7.059 -9.890 -6.778 814 H PHE 106 H PHE 106 -8.549 -5.593 -7.399 815 HA PHE 106 HA PHE 106 -11.464 -5.115 -7.213 816 1HB PHE 106 1HB PHE 106 -11.223 -4.466 -5.060 817 2HB PHE 106 2HB PHE 106 -9.826 -5.523 -5.119 818 HD1 PHE 106 1HD PHE 106 -7.593 -4.674 -4.862 819 HD2 PHE 106 2HD PHE 106 -10.912 -1.957 -5.268 820 HE1 PHE 106 1HE PHE 106 -6.114 -2.770 -4.238 821 HE2 PHE 106 2HE PHE 106 -9.392 -0.043 -4.838 822 HZ PHE 106 HZ PHE 106 -7.040 -0.462 -4.154 823 H ILE 107 H ILE 107 -12.041 -2.920 -7.243 824 HA ILE 107 HA ILE 107 -10.434 -0.712 -7.781 825 HB ILE 107 HB ILE 107 -11.293 -0.598 -10.301 826 1HG1 ILE 107 1HG1 ILE 107 -10.317 -3.391 -10.404 827 2HG1 ILE 107 2HG1 ILE 107 -11.983 -3.141 -9.923 828 1HG2 ILE 107 1HG2 ILE 107 -9.056 -0.055 -9.551 829 2HG2 ILE 107 2HG2 ILE 107 -8.679 -1.804 -9.370 830 3HG2 ILE 107 3HG2 ILE 107 -8.981 -1.114 -11.003 831 1HD1 ILE 107 1HD1 ILE 107 -12.412 -1.888 -11.978 832 2HD1 ILE 107 2HD1 ILE 107 -10.703 -2.146 -12.471 833 3HD1 ILE 107 3HD1 ILE 107 -11.815 -3.549 -12.321 834 H ALA 108 H ALA 108 -13.478 -2.338 -8.509 835 HA ALA 108 HA ALA 108 -15.083 -0.011 -8.829 836 1HB ALA 108 1HB ALA 108 -15.758 -2.217 -9.669 837 2HB ALA 108 2HB ALA 108 -15.809 -2.842 -7.985 838 3HB ALA 108 3HB ALA 108 -16.979 -1.583 -8.512 839 H ILE 109 H ILE 109 -14.333 1.357 -7.156 840 HA ILE 109 HA ILE 109 -15.468 0.836 -4.491 841 HB ILE 109 HB ILE 109 -13.583 1.926 -3.455 842 1HG1 ILE 109 1HG1 ILE 109 -12.571 2.205 -6.240 843 2HG1 ILE 109 2HG1 ILE 109 -12.653 3.402 -4.964 844 1HG2 ILE 109 1HG2 ILE 109 -13.642 -0.502 -3.546 845 2HG2 ILE 109 2HG2 ILE 109 -12.857 -0.476 -5.164 846 3HG2 ILE 109 3HG2 ILE 109 -11.947 0.074 -3.713 847 1HD1 ILE 109 1HD1 ILE 109 -10.813 2.301 -3.778 848 2HD1 ILE 109 2HD1 ILE 109 -10.728 1.071 -5.088 849 3HD1 ILE 109 3HD1 ILE 109 -10.339 2.790 -5.442 Start of MODEL 6 1 1H GLN 1 1H GLN 1 -5.581 -16.041 -0.067 2 2H GLN 1 2H GLN 1 -7.189 -16.145 -0.446 3 3H GLN 1 3H GLN 1 -6.228 -15.037 -1.215 4 HA GLN 1 HA GLN 1 -5.860 -13.884 0.836 5 1HB GLN 1 1HB GLN 1 -8.007 -12.832 0.970 6 2HB GLN 1 2HB GLN 1 -7.672 -13.233 -0.704 7 1HG GLN 1 1HG GLN 1 -8.979 -15.451 0.078 8 2HG GLN 1 2HG GLN 1 -9.744 -14.255 1.106 9 1HE2 GLN 1 2HE2 GLN 1 -10.993 -15.776 -0.914 10 2HE2 GLN 1 1HE2 GLN 1 -11.559 -14.656 -2.133 11 HA PRO 2 HA PRO 2 -7.172 -17.268 3.752 12 1HB PRO 2 1HB PRO 2 -4.696 -17.914 4.758 13 2HB PRO 2 2HB PRO 2 -5.508 -18.790 3.475 14 1HG PRO 2 1HG PRO 2 -3.232 -16.965 3.311 15 2HG PRO 2 2HG PRO 2 -3.787 -18.148 2.144 16 1HD PRO 2 1HD PRO 2 -4.166 -15.325 2.068 17 2HD PRO 2 2HD PRO 2 -4.775 -16.513 0.934 18 H GLN 3 H GLN 3 -5.933 -17.393 6.205 19 HA GLN 3 HA GLN 3 -5.936 -14.580 7.132 20 1HB GLN 3 1HB GLN 3 -7.734 -16.454 7.822 21 2HB GLN 3 2HB GLN 3 -6.513 -16.726 9.048 22 1HG GLN 3 1HG GLN 3 -7.077 -14.851 10.151 23 2HG GLN 3 2HG GLN 3 -7.055 -13.898 8.680 24 1HE2 GLN 3 2HE2 GLN 3 -8.975 -13.276 7.764 25 2HE2 GLN 3 1HE2 GLN 3 -10.540 -13.829 8.315 26 H LYS 4 H LYS 4 -4.282 -17.665 7.204 27 HA LYS 4 HA LYS 4 -2.612 -17.420 9.385 28 1HB LYS 4 1HB LYS 4 -2.689 -18.917 6.985 29 2HB LYS 4 2HB LYS 4 -1.046 -18.354 7.218 30 1HG LYS 4 1HG LYS 4 -2.378 -19.405 9.633 31 2HG LYS 4 2HG LYS 4 -2.041 -20.588 8.385 32 1HD LYS 4 1HD LYS 4 0.315 -19.910 8.363 33 2HD LYS 4 2HD LYS 4 -0.014 -18.699 9.585 34 1HE LYS 4 1HE LYS 4 -0.465 -20.332 11.234 35 2HE LYS 4 2HE LYS 4 -0.618 -21.607 10.042 36 1HZ LYS 4 1HZ LYS 4 1.715 -21.388 9.581 37 2HZ LYS 4 2HZ LYS 4 1.857 -20.183 10.708 38 3HZ LYS 4 3HZ LYS 4 1.474 -21.721 11.186 39 H CYS 5 H CYS 5 -1.920 -16.150 6.120 40 HA CYS 5 HA CYS 5 0.292 -14.559 6.970 41 1HB CYS 5 1HB CYS 5 0.322 -14.815 4.700 42 2HB CYS 5 2HB CYS 5 -1.419 -14.665 4.556 43 H GLN 6 H GLN 6 -3.214 -13.788 6.631 44 HA GLN 6 HA GLN 6 -3.077 -11.057 7.229 45 1HB GLN 6 1HB GLN 6 -5.161 -13.017 8.150 46 2HB GLN 6 2HB GLN 6 -5.346 -11.274 8.109 47 1HG GLN 6 1HG GLN 6 -4.911 -11.350 5.661 48 2HG GLN 6 2HG GLN 6 -4.916 -13.100 5.759 49 1HE2 GLN 6 2HE2 GLN 6 -6.688 -11.920 4.010 50 2HE2 GLN 6 1HE2 GLN 6 -8.315 -12.052 4.639 51 H ARG 7 H ARG 7 -2.630 -13.768 9.392 52 HA ARG 7 HA ARG 7 -2.447 -12.023 11.737 53 1HB ARG 7 1HB ARG 7 -3.351 -14.624 11.382 54 2HB ARG 7 2HB ARG 7 -1.802 -14.805 12.182 55 1HG ARG 7 1HG ARG 7 -2.794 -14.238 14.120 56 2HG ARG 7 2HG ARG 7 -3.092 -12.645 13.456 57 1HD ARG 7 1HD ARG 7 -5.105 -13.943 12.287 58 2HD ARG 7 2HD ARG 7 -4.922 -14.967 13.698 59 HE ARG 7 HE ARG 7 -4.977 -12.227 14.479 60 1HH1 ARG 7 1HH2 ARG 7 -7.123 -14.781 13.414 61 2HH1 ARG 7 2HH2 ARG 7 -8.515 -14.060 14.191 62 1HH2 ARG 7 1HH1 ARG 7 -6.792 -11.344 15.436 63 2HH2 ARG 7 2HH1 ARG 7 -8.332 -12.164 15.307 64 H GLU 8 H GLU 8 -0.406 -12.708 9.350 65 HA GLU 8 HA GLU 8 1.993 -12.792 11.062 66 1HB GLU 8 1HB GLU 8 1.263 -14.390 8.788 67 2HB GLU 8 2HB GLU 8 2.769 -13.539 8.506 68 1HG GLU 8 1HG GLU 8 3.108 -14.397 11.072 69 2HG GLU 8 2HG GLU 8 2.166 -15.708 10.392 70 H PHE 9 H PHE 9 0.304 -11.198 8.512 71 HA PHE 9 HA PHE 9 2.462 -9.518 7.625 72 1HB PHE 9 1HB PHE 9 0.918 -9.733 5.963 73 2HB PHE 9 2HB PHE 9 -0.413 -9.915 7.087 74 HD1 PHE 9 1HD PHE 9 -1.467 -7.896 8.122 75 HD2 PHE 9 2HD PHE 9 1.356 -7.645 4.890 76 HE1 PHE 9 1HE PHE 9 -2.042 -5.498 7.843 77 HE2 PHE 9 2HE PHE 9 0.638 -5.299 4.479 78 HZ PHE 9 HZ PHE 9 -1.021 -4.217 5.974 79 H GLN 10 H GLN 10 -0.386 -9.257 9.718 80 HA GLN 10 HA GLN 10 0.391 -6.513 10.418 81 1HB GLN 10 1HB GLN 10 -2.088 -7.662 10.042 82 2HB GLN 10 2HB GLN 10 -1.940 -7.561 11.785 83 1HG GLN 10 1HG GLN 10 -0.968 -5.124 10.761 84 2HG GLN 10 2HG GLN 10 -2.449 -5.465 9.887 85 1HE2 GLN 10 2HE2 GLN 10 -3.262 -3.518 10.904 86 2HE2 GLN 10 1HE2 GLN 10 -3.877 -3.601 12.539 87 H GLN 11 H GLN 11 0.705 -9.714 11.530 88 HA GLN 11 HA GLN 11 0.592 -9.645 14.245 89 1HB GLN 11 1HB GLN 11 1.580 -11.383 12.451 90 2HB GLN 11 2HB GLN 11 3.072 -10.806 13.168 91 1HG GLN 11 1HG GLN 11 1.208 -11.259 15.265 92 2HG GLN 11 2HG GLN 11 1.212 -12.675 14.233 93 1HE2 GLN 11 2HE2 GLN 11 3.257 -13.771 13.841 94 2HE2 GLN 11 1HE2 GLN 11 4.491 -13.697 15.081 95 H GLU 12 H GLU 12 3.240 -8.437 12.227 96 HA GLU 12 HA GLU 12 4.039 -6.315 13.779 97 1HB GLU 12 1HB GLU 12 6.182 -7.450 14.783 98 2HB GLU 12 2HB GLU 12 4.679 -7.343 15.676 99 1HG GLU 12 1HG GLU 12 4.272 -9.580 15.534 100 2HG GLU 12 2HG GLU 12 5.084 -9.741 13.992 101 H GLN 13 H GLN 13 3.880 -7.205 11.065 102 HA GLN 13 HA GLN 13 6.496 -6.271 10.240 103 1HB GLN 13 1HB GLN 13 6.341 -8.946 10.494 104 2HB GLN 13 2HB GLN 13 5.816 -8.757 8.833 105 1HG GLN 13 1HG GLN 13 7.845 -7.210 8.569 106 2HG GLN 13 2HG GLN 13 8.404 -7.899 10.080 107 1HE2 GLN 13 2HE2 GLN 13 10.094 -9.156 9.521 108 2HE2 GLN 13 1HE2 GLN 13 10.053 -10.388 8.278 109 H HIS 14 H HIS 14 4.255 -4.851 10.017 110 HA HIS 14 HA HIS 14 2.708 -5.445 7.681 111 1HB HIS 14 1HB HIS 14 2.850 -2.673 8.682 112 2HB HIS 14 2HB HIS 14 1.456 -3.633 8.229 113 HD1 HIS 14 1HD HIS 14 1.514 -1.867 10.861 114 HD2 HIS 14 2HD HIS 14 2.431 -5.961 10.578 115 HE1 HIS 14 1HE HIS 14 1.152 -2.873 13.206 116 HE2 HIS 14 2HE HIS 14 1.781 -5.354 13.021 117 H LEU 15 H LEU 15 2.737 -2.741 6.562 118 HA LEU 15 HA LEU 15 5.382 -2.814 5.235 119 1HB LEU 15 1HB LEU 15 2.873 -1.874 3.932 120 2HB LEU 15 2HB LEU 15 4.393 -2.326 3.184 121 HG LEU 15 HG LEU 15 2.300 -4.103 4.360 122 1HD1 LEU 15 1HD1 LEU 15 1.895 -3.393 2.097 123 2HD1 LEU 15 2HD1 LEU 15 3.541 -3.935 1.619 124 3HD1 LEU 15 3HD1 LEU 15 2.310 -5.142 2.134 125 1HD2 LEU 15 1HD2 LEU 15 5.058 -4.988 3.491 126 2HD2 LEU 15 2HD2 LEU 15 4.404 -5.018 5.166 127 3HD2 LEU 15 3HD2 LEU 15 3.683 -6.072 3.900 128 H ARG 16 H ARG 16 5.941 -0.732 4.241 129 HA ARG 16 HA ARG 16 5.037 1.636 5.713 130 1HB ARG 16 1HB ARG 16 7.857 0.640 5.606 131 2HB ARG 16 2HB ARG 16 7.452 2.314 5.929 132 1HG ARG 16 1HG ARG 16 6.066 1.603 7.827 133 2HG ARG 16 2HG ARG 16 6.501 -0.065 7.512 134 1HD ARG 16 1HD ARG 16 8.871 0.501 7.828 135 2HD ARG 16 2HD ARG 16 8.424 2.162 8.165 136 HE ARG 16 HE ARG 16 7.052 0.264 9.864 137 1HH1 ARG 16 1HH2 ARG 16 10.027 2.059 9.509 138 2HH1 ARG 16 2HH2 ARG 16 10.369 2.019 11.223 139 1HH2 ARG 16 1HH1 ARG 16 7.521 0.245 12.046 140 2HH2 ARG 16 2HH1 ARG 16 8.981 1.013 12.630 141 H ALA 17 H ALA 17 8.021 1.673 3.883 142 HA ALA 17 HA ALA 17 7.608 3.615 2.177 143 1HB ALA 17 1HB ALA 17 9.639 2.276 2.253 144 2HB ALA 17 2HB ALA 17 8.779 0.911 1.460 145 3HB ALA 17 3HB ALA 17 9.069 2.438 0.556 146 H CYS 18 H CYS 18 6.563 0.332 1.116 147 HA CYS 18 HA CYS 18 4.987 1.061 -1.017 148 1HB CYS 18 1HB CYS 18 5.653 -1.238 0.084 149 2HB CYS 18 2HB CYS 18 4.018 -1.112 0.697 150 H GLN 19 H GLN 19 3.701 0.424 2.259 151 HA GLN 19 HA GLN 19 1.300 1.927 1.675 152 1HB GLN 19 1HB GLN 19 2.361 0.442 4.048 153 2HB GLN 19 2HB GLN 19 0.866 1.355 4.122 154 1HG GLN 19 1HG GLN 19 1.319 -0.484 1.808 155 2HG GLN 19 2HG GLN 19 0.850 -1.178 3.347 156 1HE2 GLN 19 2HE2 GLN 19 -0.331 2.026 2.559 157 2HE2 GLN 19 1HE2 GLN 19 -1.971 1.531 2.202 158 H GLN 20 H GLN 20 3.587 3.622 1.378 159 HA GLN 20 HA GLN 20 3.026 5.614 3.448 160 1HB GLN 20 1HB GLN 20 5.721 4.392 3.097 161 2HB GLN 20 2HB GLN 20 5.570 6.079 3.545 162 1HG GLN 20 1HG GLN 20 3.803 4.715 5.228 163 2HG GLN 20 2HG GLN 20 5.245 3.723 5.179 164 1HE2 GLN 20 2HE2 GLN 20 3.772 6.531 6.399 165 2HE2 GLN 20 1HE2 GLN 20 5.160 7.172 7.251 166 H TRP 21 H TRP 21 5.051 4.823 0.624 167 HA TRP 21 HA TRP 21 5.372 7.377 -0.387 168 1HB TRP 21 1HB TRP 21 5.838 6.417 -2.436 169 2HB TRP 21 2HB TRP 21 6.339 5.244 -1.235 170 HD1 TRP 21 HD TRP 21 5.511 2.834 -1.601 171 HE1 TRP 21 1HE TRP 21 3.737 1.684 -3.071 172 HE3 TRP 21 3HE TRP 21 3.494 6.989 -3.703 173 HZ2 TRP 21 2HZ TRP 21 1.677 2.518 -4.883 174 HZ3 TRP 21 3HZ TRP 21 1.588 6.802 -5.271 175 HH2 TRP 21 HH TRP 21 0.791 4.555 -5.969 176 H ILE 22 H ILE 22 2.538 5.332 -0.394 177 HA ILE 22 HA ILE 22 0.929 6.627 -2.270 178 HB ILE 22 HB ILE 22 0.031 5.443 0.341 179 1HG1 ILE 22 1HG1 ILE 22 0.880 4.185 -2.228 180 2HG1 ILE 22 2HG1 ILE 22 1.316 3.748 -0.588 181 1HG2 ILE 22 1HG2 ILE 22 -1.728 6.717 -0.813 182 2HG2 ILE 22 2HG2 ILE 22 -1.404 5.789 -2.318 183 3HG2 ILE 22 3HG2 ILE 22 -2.072 4.954 -0.874 184 1HD1 ILE 22 1HD1 ILE 22 -0.952 2.884 -0.191 185 2HD1 ILE 22 2HD1 ILE 22 -1.399 3.332 -1.874 186 3HD1 ILE 22 3HD1 ILE 22 -0.161 2.061 -1.581 187 H ARG 23 H ARG 23 1.896 7.613 0.901 188 HA ARG 23 HA ARG 23 0.291 10.070 0.771 189 1HB ARG 23 1HB ARG 23 1.206 8.344 2.885 190 2HB ARG 23 2HB ARG 23 1.727 9.995 3.157 191 1HG ARG 23 1HG ARG 23 -0.479 9.635 4.112 192 2HG ARG 23 2HG ARG 23 -0.560 10.774 2.783 193 1HD ARG 23 1HD ARG 23 -1.208 8.774 1.332 194 2HD ARG 23 2HD ARG 23 -1.471 7.918 2.838 195 HE ARG 23 HE ARG 23 -3.450 9.041 3.070 196 1HH1 ARG 23 1HH2 ARG 23 -1.411 11.003 0.960 197 2HH1 ARG 23 2HH2 ARG 23 -2.654 12.219 0.769 198 1HH2 ARG 23 1HH1 ARG 23 -4.949 10.654 2.799 199 2HH2 ARG 23 2HH1 ARG 23 -4.596 12.029 1.777 200 H GLN 24 H GLN 24 3.664 8.939 0.889 201 HA GLN 24 HA GLN 24 4.947 11.364 1.364 202 1HB GLN 24 1HB GLN 24 5.829 8.909 0.908 203 2HB GLN 24 2HB GLN 24 6.059 9.549 -0.708 204 1HG GLN 24 1HG GLN 24 8.099 9.862 0.566 205 2HG GLN 24 2HG GLN 24 7.365 11.425 0.267 206 1HE2 GLN 24 2HE2 GLN 24 7.603 12.709 2.035 207 2HE2 GLN 24 1HE2 GLN 24 7.354 12.187 3.685 208 H GLN 25 H GLN 25 3.277 10.287 -1.501 209 HA GLN 25 HA GLN 25 4.294 12.153 -3.343 210 1HB GLN 25 1HB GLN 25 2.468 10.126 -3.389 211 2HB GLN 25 2HB GLN 25 1.453 11.538 -3.604 212 1HG GLN 25 1HG GLN 25 3.810 11.819 -5.196 213 2HG GLN 25 2HG GLN 25 3.078 10.262 -5.528 214 1HE2 GLN 25 2HE2 GLN 25 3.362 12.608 -7.262 215 2HE2 GLN 25 1HE2 GLN 25 1.736 13.017 -7.765 216 H LEU 26 H LEU 26 2.442 12.736 -0.567 217 HA LEU 26 HA LEU 26 1.923 15.499 -1.410 218 1HB LEU 26 1HB LEU 26 0.153 13.809 0.336 219 2HB LEU 26 2HB LEU 26 -0.146 15.461 -0.165 220 HG LEU 26 HG LEU 26 0.157 14.175 -2.565 221 1HD1 LEU 26 1HD1 LEU 26 0.219 11.957 -1.511 222 2HD1 LEU 26 2HD1 LEU 26 -1.355 12.298 -0.711 223 3HD1 LEU 26 3HD1 LEU 26 -1.269 12.152 -2.502 224 1HD2 LEU 26 1HD2 LEU 26 -2.431 14.621 -1.039 225 2HD2 LEU 26 2HD2 LEU 26 -1.575 15.837 -2.049 226 3HD2 LEU 26 3HD2 LEU 26 -2.292 14.377 -2.814 227 H ALA 27 H ALA 27 2.342 17.057 0.043 228 HA ALA 27 HA ALA 27 4.074 16.359 2.262 229 1HB ALA 27 1HB ALA 27 4.610 18.255 0.840 230 2HB ALA 27 2HB ALA 27 3.039 19.020 1.262 231 3HB ALA 27 3HB ALA 27 4.300 18.801 2.525 232 H GLY 28 H GLY 28 0.891 16.040 2.029 233 1HA GLY 28 1HA GLY 28 -0.160 17.441 4.279 234 2HA GLY 28 2HA GLY 28 -0.903 16.103 3.423 235 H SER 29 H SER 29 0.199 13.871 3.900 236 HA SER 29 HA SER 29 0.020 13.058 6.493 237 1HB SER 29 1HB SER 29 1.218 11.980 4.178 238 2HB SER 29 2HB SER 29 2.352 11.772 5.499 239 HG SER 29 HG SER 29 0.838 10.053 5.365 240 HA PRO 30 HA PRO 30 4.466 14.276 7.685 241 1HB PRO 30 1HB PRO 30 6.010 15.643 5.882 242 2HB PRO 30 2HB PRO 30 6.047 13.902 6.079 243 1HG PRO 30 1HG PRO 30 4.896 15.492 3.895 244 2HG PRO 30 2HG PRO 30 5.353 13.802 3.907 245 1HD PRO 30 1HD PRO 30 2.745 14.887 4.175 246 2HD PRO 30 2HD PRO 30 3.212 13.201 4.277 247 H PHE 31 H PHE 31 5.886 16.568 7.654 248 HA PHE 31 HA PHE 31 4.432 18.972 7.350 249 1HB PHE 31 1HB PHE 31 4.056 19.185 9.954 250 2HB PHE 31 2HB PHE 31 2.826 18.496 8.916 251 HD1 PHE 31 1HD PHE 31 1.939 16.336 9.373 252 HD2 PHE 31 2HD PHE 31 5.669 17.541 11.156 253 HE1 PHE 31 1HE PHE 31 2.033 14.194 10.630 254 HE2 PHE 31 2HE PHE 31 5.776 15.398 12.405 255 HZ PHE 31 HZ PHE 31 3.931 13.737 12.176 256 H SER 32 H SER 32 6.656 17.091 9.325 257 HA SER 32 HA SER 32 8.263 19.461 9.977 258 1HB SER 32 1HB SER 32 7.691 17.524 11.591 259 2HB SER 32 2HB SER 32 8.945 16.649 10.736 260 HG SER 32 HG SER 32 9.760 17.795 12.554 261 H GLU 33 H GLU 33 8.030 17.146 7.533 262 HA GLU 33 HA GLU 33 10.519 18.044 6.348 263 1HB GLU 33 1HB GLU 33 10.742 15.823 7.929 264 2HB GLU 33 2HB GLU 33 10.407 15.113 6.363 265 1HG GLU 33 1HG GLU 33 12.213 16.540 5.393 266 2HG GLU 33 2HG GLU 33 12.599 17.080 7.015 267 H ASN 34 H ASN 34 9.712 18.679 4.453 268 HA ASN 34 HA ASN 34 7.409 17.977 3.169 269 1HB ASN 34 1HB ASN 34 10.124 18.624 2.107 270 2HB ASN 34 2HB ASN 34 8.756 18.391 1.039 271 1HD2 ASN 34 2HD2 ASN 34 10.349 20.444 3.269 272 2HD2 ASN 34 1HD2 ASN 34 9.312 21.836 3.043 273 H GLN 35 H GLN 35 10.556 16.412 2.592 274 HA GLN 35 HA GLN 35 9.257 13.815 2.384 275 1HB GLN 35 1HB GLN 35 10.416 13.400 0.168 276 2HB GLN 35 2HB GLN 35 9.022 14.459 0.112 277 1HG GLN 35 1HG GLN 35 11.729 15.659 0.447 278 2HG GLN 35 2HG GLN 35 11.246 15.093 -1.139 279 1HE2 GLN 35 2HE2 GLN 35 11.796 17.845 -0.024 280 2HE2 GLN 35 1HE2 GLN 35 10.367 18.764 -0.445 281 H TRP 36 H TRP 36 10.818 12.068 2.323 282 HA TRP 36 HA TRP 36 12.956 12.319 4.098 283 1HB TRP 36 1HB TRP 36 12.762 10.336 1.859 284 2HB TRP 36 2HB TRP 36 13.621 10.141 3.374 285 HD1 TRP 36 HD TRP 36 10.038 10.196 1.976 286 HE1 TRP 36 1HE TRP 36 8.512 8.940 3.625 287 HE3 TRP 36 3HE TRP 36 13.366 9.408 5.771 288 HZ2 TRP 36 2HZ TRP 36 8.645 7.852 6.273 289 HZ3 TRP 36 3HZ TRP 36 12.655 8.238 7.833 290 HH2 TRP 36 HH TRP 36 10.308 7.467 8.103 291 H GLY 37 H GLY 37 12.802 13.144 0.766 292 1HA GLY 37 1HA GLY 37 14.840 14.879 0.574 293 2HA GLY 37 2HA GLY 37 15.651 13.351 0.299 294 HA PRO 38 HA PRO 38 14.097 13.201 -3.769 295 1HB PRO 38 1HB PRO 38 12.885 10.755 -4.101 296 2HB PRO 38 2HB PRO 38 14.618 11.015 -4.112 297 1HG PRO 38 1HG PRO 38 12.952 9.756 -2.038 298 2HG PRO 38 2HG PRO 38 14.686 9.651 -2.271 299 1HD PRO 38 1HD PRO 38 13.300 11.272 -0.389 300 2HD PRO 38 2HD PRO 38 15.025 11.242 -0.694 301 H GLN 39 H GLN 39 12.587 14.817 -3.944 302 HA GLN 39 HA GLN 39 10.064 14.999 -2.836 303 1HB GLN 39 1HB GLN 39 11.533 16.336 -4.833 304 2HB GLN 39 2HB GLN 39 9.955 15.996 -5.513 305 1HG GLN 39 1HG GLN 39 8.882 17.017 -3.582 306 2HG GLN 39 2HG GLN 39 10.449 17.317 -2.855 307 1HE2 GLN 39 2HE2 GLN 39 9.894 19.567 -2.749 308 2HE2 GLN 39 1HE2 GLN 39 10.031 20.560 -4.182 309 H GLN 40 H GLN 40 10.751 13.800 -6.130 310 HA GLN 40 HA GLN 40 8.141 12.771 -6.538 311 1HB GLN 40 1HB GLN 40 10.435 13.074 -8.047 312 2HB GLN 40 2HB GLN 40 10.217 11.338 -7.968 313 1HG GLN 40 1HG GLN 40 7.683 12.060 -8.441 314 2HG GLN 40 2HG GLN 40 8.498 13.405 -9.211 315 1HE2 GLN 40 2HE2 GLN 40 7.938 12.888 -11.317 316 2HE2 GLN 40 1HE2 GLN 40 8.534 11.456 -12.128 317 H GLY 41 H GLY 41 10.871 11.497 -4.834 318 1HA GLY 41 1HA GLY 41 11.253 9.580 -3.659 319 2HA GLY 41 2HA GLY 41 9.514 9.464 -3.475 320 HA PRO 42 HA PRO 42 10.297 7.084 -7.466 321 1HB PRO 42 1HB PRO 42 12.848 6.909 -8.496 322 2HB PRO 42 2HB PRO 42 11.629 8.048 -9.031 323 1HG PRO 42 1HG PRO 42 14.033 8.545 -7.416 324 2HG PRO 42 2HG PRO 42 13.037 9.694 -8.287 325 1HD PRO 42 1HD PRO 42 13.031 9.181 -5.493 326 2HD PRO 42 2HD PRO 42 11.966 10.255 -6.380 327 H SER 43 H SER 43 13.271 6.957 -5.528 328 HA SER 43 HA SER 43 13.612 4.122 -5.669 329 1HB SER 43 1HB SER 43 14.784 5.561 -3.382 330 2HB SER 43 2HB SER 43 15.533 4.457 -4.517 331 HG SER 43 HG SER 43 16.294 6.612 -4.760 332 H LEU 44 H LEU 44 11.323 3.673 -5.196 333 HA LEU 44 HA LEU 44 10.975 3.013 -2.393 334 1HB LEU 44 1HB LEU 44 9.922 5.425 -3.288 335 2HB LEU 44 2HB LEU 44 8.575 4.309 -3.376 336 HG LEU 44 HG LEU 44 10.257 4.360 -0.919 337 1HD1 LEU 44 1HD1 LEU 44 9.709 6.738 -1.326 338 2HD1 LEU 44 2HD1 LEU 44 7.977 6.286 -1.509 339 3HD1 LEU 44 3HD1 LEU 44 8.797 6.083 0.078 340 1HD2 LEU 44 1HD2 LEU 44 7.336 3.858 -1.519 341 2HD2 LEU 44 2HD2 LEU 44 8.600 2.602 -1.271 342 3HD2 LEU 44 3HD2 LEU 44 8.121 3.677 0.088 343 H ARG 45 H ARG 45 9.671 3.117 -5.738 344 HA ARG 45 HA ARG 45 7.817 1.035 -5.497 345 1HB ARG 45 1HB ARG 45 9.109 2.416 -7.639 346 2HB ARG 45 2HB ARG 45 9.031 0.702 -7.994 347 1HG ARG 45 1HG ARG 45 7.053 2.078 -8.754 348 2HG ARG 45 2HG ARG 45 6.678 0.664 -7.787 349 1HD ARG 45 1HD ARG 45 5.606 1.943 -6.296 350 2HD ARG 45 2HD ARG 45 7.059 2.886 -6.034 351 HE ARG 45 HE ARG 45 4.751 3.623 -7.614 352 1HH1 ARG 45 1HH2 ARG 45 8.182 4.234 -7.124 353 2HH1 ARG 45 2HH2 ARG 45 8.099 5.800 -7.898 354 1HH2 ARG 45 1HH1 ARG 45 4.724 5.601 -8.602 355 2HH2 ARG 45 2HH1 ARG 45 6.185 6.556 -8.716 356 H GLU 46 H GLU 46 11.230 0.742 -6.522 357 HA GLU 46 HA GLU 46 11.312 -2.033 -6.760 358 1HB GLU 46 1HB GLU 46 13.226 0.135 -6.406 359 2HB GLU 46 2HB GLU 46 13.783 -1.381 -5.726 360 1HG GLU 46 1HG GLU 46 13.231 -2.489 -7.892 361 2HG GLU 46 2HG GLU 46 12.845 -0.912 -8.553 362 H GLN 47 H GLN 47 11.972 -0.040 -3.888 363 HA GLN 47 HA GLN 47 12.423 -2.230 -2.136 364 1HB GLN 47 1HB GLN 47 12.476 0.570 -1.907 365 2HB GLN 47 2HB GLN 47 11.321 -0.007 -0.723 366 1HG GLN 47 1HG GLN 47 13.085 -1.741 -0.078 367 2HG GLN 47 2HG GLN 47 14.212 -0.790 -1.023 368 1HE2 GLN 47 2HE2 GLN 47 12.086 -0.792 1.792 369 2HE2 GLN 47 1HE2 GLN 47 12.823 0.582 2.587 370 H CYS 48 H CYS 48 9.472 -0.177 -2.544 371 HA CYS 48 HA CYS 48 7.769 -1.644 -0.888 372 1HB CYS 48 1HB CYS 48 6.765 0.239 -1.542 373 2HB CYS 48 2HB CYS 48 7.487 0.196 -3.137 374 H CYS 49 H CYS 49 8.834 -2.326 -4.174 375 HA CYS 49 HA CYS 49 7.051 -4.520 -4.625 376 1HB CYS 49 1HB CYS 49 9.177 -3.162 -6.019 377 2HB CYS 49 2HB CYS 49 9.301 -4.902 -6.183 378 H ASN 50 H ASN 50 9.400 -4.176 -2.402 379 HA ASN 50 HA ASN 50 10.000 -7.051 -2.253 380 1HB ASN 50 1HB ASN 50 11.860 -4.989 -2.578 381 2HB ASN 50 2HB ASN 50 11.929 -5.414 -0.880 382 1HD2 ASN 50 2HD2 ASN 50 11.345 -7.232 -3.884 383 2HD2 ASN 50 1HD2 ASN 50 12.575 -8.443 -3.597 384 H GLU 51 H GLU 51 9.618 -4.018 -0.415 385 HA GLU 51 HA GLU 51 9.476 -5.213 2.141 386 1HB GLU 51 1HB GLU 51 9.633 -3.066 2.700 387 2HB GLU 51 2HB GLU 51 9.477 -2.631 1.010 388 1HG GLU 51 1HG GLU 51 7.095 -2.519 1.199 389 2HG GLU 51 2HG GLU 51 7.153 -3.136 2.837 390 H LEU 52 H LEU 52 7.179 -4.836 -0.464 391 HA LEU 52 HA LEU 52 5.005 -5.630 1.326 392 1HB LEU 52 1HB LEU 52 3.680 -4.548 -0.058 393 2HB LEU 52 2HB LEU 52 5.163 -3.872 -0.699 394 HG LEU 52 HG LEU 52 3.854 -4.448 -2.516 395 1HD1 LEU 52 1HD1 LEU 52 6.167 -5.152 -2.914 396 2HD1 LEU 52 2HD1 LEU 52 5.781 -6.766 -2.220 397 3HD1 LEU 52 3HD1 LEU 52 4.995 -6.232 -3.746 398 1HD2 LEU 52 1HD2 LEU 52 3.415 -7.111 -1.162 399 2HD2 LEU 52 2HD2 LEU 52 2.224 -5.775 -1.336 400 3HD2 LEU 52 3HD2 LEU 52 2.798 -6.662 -2.790 401 H TYR 53 H TYR 53 7.253 -6.966 -0.863 402 HA TYR 53 HA TYR 53 5.643 -9.305 -1.587 403 1HB TYR 53 1HB TYR 53 7.657 -7.805 -2.803 404 2HB TYR 53 2HB TYR 53 8.437 -9.304 -2.341 405 HD1 TYR 53 1HD TYR 53 6.781 -11.455 -2.852 406 HD2 TYR 53 2HD TYR 53 6.952 -7.720 -5.001 407 HE1 TYR 53 1HE TYR 53 5.893 -12.565 -4.886 408 HE2 TYR 53 2HE TYR 53 6.160 -8.869 -7.056 409 HH TYR 53 HH TYR 53 5.331 -10.827 -7.915 410 H GLN 54 H GLN 54 8.184 -8.264 0.517 411 HA GLN 54 HA GLN 54 9.469 -10.653 1.161 412 1HB GLN 54 1HB GLN 54 9.953 -9.558 3.346 413 2HB GLN 54 2HB GLN 54 10.369 -8.585 1.951 414 1HG GLN 54 1HG GLN 54 8.453 -7.215 2.230 415 2HG GLN 54 2HG GLN 54 7.782 -8.296 3.436 416 1HE2 GLN 54 2HE2 GLN 54 7.520 -6.484 4.817 417 2HE2 GLN 54 1HE2 GLN 54 8.890 -5.819 5.677 418 H GLU 55 H GLU 55 6.355 -9.382 2.099 419 HA GLU 55 HA GLU 55 5.928 -11.416 4.107 420 1HB GLU 55 1HB GLU 55 4.060 -9.422 2.892 421 2HB GLU 55 2HB GLU 55 3.736 -10.405 4.304 422 1HG GLU 55 1HG GLU 55 6.178 -9.061 4.765 423 2HG GLU 55 2HG GLU 55 5.029 -7.877 4.173 424 H ASP 56 H ASP 56 6.315 -11.909 1.050 425 HA ASP 56 HA ASP 56 5.743 -13.572 -0.373 426 1HB ASP 56 1HB ASP 56 5.035 -14.694 1.881 427 2HB ASP 56 2HB ASP 56 3.414 -14.387 1.292 428 H GLN 57 H GLN 57 3.452 -14.441 -1.452 429 HA GLN 57 HA GLN 57 2.172 -12.034 -2.478 430 1HB GLN 57 1HB GLN 57 2.228 -14.917 -3.152 431 2HB GLN 57 2HB GLN 57 0.850 -13.977 -3.689 432 1HG GLN 57 1HG GLN 57 2.145 -13.440 -5.446 433 2HG GLN 57 2HG GLN 57 2.930 -12.336 -4.335 434 1HE2 GLN 57 2HE2 GLN 57 4.506 -13.790 -2.786 435 2HE2 GLN 57 1HE2 GLN 57 5.691 -14.654 -3.741 436 H VAL 58 H VAL 58 1.490 -14.524 -0.197 437 HA VAL 58 HA VAL 58 -1.340 -14.146 -0.097 438 HB VAL 58 HB VAL 58 0.144 -15.152 2.259 439 1HG1 VAL 58 1HG1 VAL 58 -2.305 -15.097 2.172 440 2HG1 VAL 58 2HG1 VAL 58 -2.258 -16.067 0.659 441 3HG1 VAL 58 3HG1 VAL 58 -1.692 -16.787 2.207 442 1HG2 VAL 58 1HG2 VAL 58 -0.118 -16.700 -0.350 443 2HG2 VAL 58 2HG2 VAL 58 1.427 -16.114 0.356 444 3HG2 VAL 58 3HG2 VAL 58 0.463 -17.363 1.217 445 H CYS 59 H CYS 59 1.226 -12.262 0.883 446 HA CYS 59 HA CYS 59 -0.426 -10.664 2.691 447 1HB CYS 59 1HB CYS 59 2.517 -10.862 2.553 448 2HB CYS 59 2HB CYS 59 1.603 -9.797 3.601 449 H VAL 60 H VAL 60 0.105 -10.787 -0.377 450 HA VAL 60 HA VAL 60 0.799 -7.978 -0.825 451 HB VAL 60 HB VAL 60 0.429 -10.386 -2.495 452 1HG1 VAL 60 1HG1 VAL 60 -1.020 -8.778 -3.607 453 2HG1 VAL 60 2HG1 VAL 60 0.307 -7.565 -3.586 454 3HG1 VAL 60 3HG1 VAL 60 0.472 -9.061 -4.569 455 1HG2 VAL 60 1HG2 VAL 60 2.536 -8.232 -2.324 456 2HG2 VAL 60 2HG2 VAL 60 2.613 -9.874 -1.597 457 3HG2 VAL 60 3HG2 VAL 60 2.611 -9.683 -3.384 458 H CYS 61 H CYS 61 -1.985 -9.963 -0.449 459 HA CYS 61 HA CYS 61 -3.801 -7.967 -0.178 460 1HB CYS 61 1HB CYS 61 -3.982 -7.041 -2.148 461 2HB CYS 61 2HB CYS 61 -3.243 -8.401 -2.970 462 HA PRO 62 HA PRO 62 -5.923 -7.702 -0.344 463 1HB PRO 62 1HB PRO 62 -7.876 -7.885 1.540 464 2HB PRO 62 2HB PRO 62 -8.144 -8.124 -0.174 465 1HG PRO 62 1HG PRO 62 -8.043 -10.123 1.979 466 2HG PRO 62 2HG PRO 62 -8.736 -10.264 0.375 467 1HD PRO 62 1HD PRO 62 -6.216 -11.269 1.271 468 2HD PRO 62 2HD PRO 62 -6.879 -11.355 -0.350 469 H THR 63 H THR 63 -4.077 -9.399 1.548 470 HA THR 63 HA THR 63 -3.930 -8.366 4.073 471 HB THR 63 HB THR 63 -1.414 -8.596 2.591 472 HG1 THR 63 1HG THR 63 -1.849 -10.851 2.266 473 1HG2 THR 63 1HG2 THR 63 -1.506 -8.640 5.060 474 2HG2 THR 63 2HG2 THR 63 -2.588 -10.074 4.965 475 3HG2 THR 63 3HG2 THR 63 -0.891 -10.188 4.381 476 H LEU 64 H LEU 64 -2.679 -6.847 1.088 477 HA LEU 64 HA LEU 64 -1.734 -4.486 2.364 478 1HB LEU 64 1HB LEU 64 -2.031 -5.498 -0.292 479 2HB LEU 64 2HB LEU 64 -2.595 -3.841 -0.224 480 HG LEU 64 HG LEU 64 -0.130 -4.183 1.228 481 1HD1 LEU 64 1HD1 LEU 64 0.294 -5.983 -0.337 482 2HD1 LEU 64 2HD1 LEU 64 -0.093 -4.886 -1.707 483 3HD1 LEU 64 3HD1 LEU 64 1.353 -4.574 -0.687 484 1HD2 LEU 64 1HD2 LEU 64 -0.816 -2.476 -1.178 485 2HD2 LEU 64 2HD2 LEU 64 -0.964 -1.988 0.547 486 3HD2 LEU 64 3HD2 LEU 64 0.656 -2.314 -0.158 487 H LYS 65 H LYS 65 -4.930 -5.361 1.055 488 HA LYS 65 HA LYS 65 -6.339 -3.035 1.211 489 1HB LYS 65 1HB LYS 65 -7.219 -5.352 0.681 490 2HB LYS 65 2HB LYS 65 -7.442 -5.544 2.409 491 1HG LYS 65 1HG LYS 65 -9.153 -4.039 2.493 492 2HG LYS 65 2HG LYS 65 -8.532 -3.093 1.158 493 1HD LYS 65 1HD LYS 65 -10.449 -4.108 0.273 494 2HD LYS 65 2HD LYS 65 -9.139 -5.119 -0.303 495 1HE LYS 65 1HE LYS 65 -9.748 -6.892 1.006 496 2HE LYS 65 2HE LYS 65 -10.347 -5.869 2.296 497 1HZ LYS 65 1HZ LYS 65 -12.261 -5.379 0.955 498 2HZ LYS 65 2HZ LYS 65 -11.695 -6.346 -0.264 499 3HZ LYS 65 3HZ LYS 65 -12.124 -7.013 1.189 500 H GLN 66 H GLN 66 -5.271 -4.970 4.015 501 HA GLN 66 HA GLN 66 -6.502 -3.355 5.982 502 1HB GLN 66 1HB GLN 66 -4.699 -5.542 5.943 503 2HB GLN 66 2HB GLN 66 -4.027 -4.298 6.981 504 1HG GLN 66 1HG GLN 66 -5.418 -5.114 8.560 505 2HG GLN 66 2HG GLN 66 -6.680 -4.275 7.683 506 1HE2 GLN 66 2HE2 GLN 66 -6.697 -5.944 5.335 507 2HE2 GLN 66 1HE2 GLN 66 -7.348 -7.497 5.809 508 H ALA 67 H ALA 67 -3.001 -3.380 5.226 509 HA ALA 67 HA ALA 67 -2.428 -0.974 6.470 510 1HB ALA 67 1HB ALA 67 -0.719 -2.541 5.791 511 2HB ALA 67 2HB ALA 67 -1.106 -2.228 4.064 512 3HB ALA 67 3HB ALA 67 -0.400 -0.922 5.077 513 H ALA 68 H ALA 68 -4.231 -1.422 3.571 514 HA ALA 68 HA ALA 68 -3.764 1.101 2.317 515 1HB ALA 68 1HB ALA 68 -4.525 -0.884 1.052 516 2HB ALA 68 2HB ALA 68 -6.036 -0.905 2.025 517 3HB ALA 68 3HB ALA 68 -5.703 0.467 0.914 518 H LYS 69 H LYS 69 -6.445 -0.295 4.250 519 HA LYS 69 HA LYS 69 -7.696 2.279 4.608 520 1HB LYS 69 1HB LYS 69 -8.112 -0.373 5.954 521 2HB LYS 69 2HB LYS 69 -9.093 1.043 6.270 522 1HG LYS 69 1HG LYS 69 -10.269 0.726 4.398 523 2HG LYS 69 2HG LYS 69 -8.805 0.641 3.439 524 1HD LYS 69 1HD LYS 69 -9.559 -1.450 3.015 525 2HD LYS 69 2HD LYS 69 -8.751 -1.803 4.530 526 1HE LYS 69 1HE LYS 69 -10.890 -2.790 4.695 527 2HE LYS 69 2HE LYS 69 -10.962 -1.332 5.664 528 1HZ LYS 69 1HZ LYS 69 -11.998 -0.219 3.827 529 2HZ LYS 69 2HZ LYS 69 -11.929 -1.596 2.912 530 3HZ LYS 69 3HZ LYS 69 -12.879 -1.551 4.267 531 H SER 70 H SER 70 -5.049 0.731 6.119 532 HA SER 70 HA SER 70 -5.220 2.346 8.567 533 1HB SER 70 1HB SER 70 -4.459 -0.084 8.477 534 2HB SER 70 2HB SER 70 -2.988 0.522 7.743 535 HG SER 70 HG SER 70 -2.824 0.357 10.025 536 H VAL 71 H VAL 71 -3.869 2.530 5.423 537 HA VAL 71 HA VAL 71 -1.509 4.009 5.896 538 HB VAL 71 HB VAL 71 -2.689 2.950 3.718 539 1HG1 VAL 71 1HG1 VAL 71 -4.311 4.742 3.416 540 2HG1 VAL 71 2HG1 VAL 71 -2.969 5.935 3.356 541 3HG1 VAL 71 3HG1 VAL 71 -3.127 4.695 2.065 542 1HG2 VAL 71 1HG2 VAL 71 -0.572 5.105 3.750 543 2HG2 VAL 71 2HG2 VAL 71 -0.313 3.341 3.990 544 3HG2 VAL 71 3HG2 VAL 71 -0.877 3.960 2.398 545 H ARG 72 H ARG 72 -4.828 4.825 6.116 546 HA ARG 72 HA ARG 72 -4.121 7.582 6.884 547 1HB ARG 72 1HB ARG 72 -5.795 6.644 4.696 548 2HB ARG 72 2HB ARG 72 -6.646 7.720 5.788 549 1HG ARG 72 1HG ARG 72 -3.918 8.466 4.879 550 2HG ARG 72 2HG ARG 72 -5.263 8.674 3.774 551 1HD ARG 72 1HD ARG 72 -5.487 10.686 4.797 552 2HD ARG 72 2HD ARG 72 -6.297 9.757 6.043 553 HE ARG 72 HE ARG 72 -4.512 10.085 7.464 554 1HH1 ARG 72 1HH2 ARG 72 -3.555 11.051 4.250 555 2HH1 ARG 72 2HH2 ARG 72 -2.041 11.732 4.800 556 1HH2 ARG 72 1HH1 ARG 72 -2.540 10.961 8.106 557 2HH2 ARG 72 2HH1 ARG 72 -1.486 11.682 6.909 558 H VAL 73 H VAL 73 -5.550 8.502 8.338 559 HA VAL 73 HA VAL 73 -7.793 7.090 9.478 560 HB VAL 73 HB VAL 73 -5.114 7.014 10.799 561 1HG1 VAL 73 1HG1 VAL 73 -6.459 8.320 12.400 562 2HG1 VAL 73 2HG1 VAL 73 -7.726 7.046 12.344 563 3HG1 VAL 73 3HG1 VAL 73 -6.105 6.671 13.023 564 1HG2 VAL 73 1HG2 VAL 73 -7.479 5.110 10.740 565 2HG2 VAL 73 2HG2 VAL 73 -5.994 4.988 9.732 566 3HG2 VAL 73 3HG2 VAL 73 -5.891 4.778 11.515 567 H GLN 74 H GLN 74 -8.923 8.449 10.898 568 HA GLN 74 HA GLN 74 -8.242 10.710 12.230 569 1HB GLN 74 1HB GLN 74 -8.300 11.227 9.350 570 2HB GLN 74 2HB GLN 74 -9.326 12.301 10.278 571 1HG GLN 74 1HG GLN 74 -7.570 13.284 11.346 572 2HG GLN 74 2HG GLN 74 -6.625 11.809 11.367 573 1HE2 GLN 74 2HE2 GLN 74 -5.133 13.849 10.885 574 2HE2 GLN 74 1HE2 GLN 74 -4.756 14.046 9.189 575 H GLY 75 H GLY 75 -9.943 11.260 13.431 576 1HA GLY 75 1HA GLY 75 -12.578 10.180 12.773 577 2HA GLY 75 2HA GLY 75 -12.107 10.988 14.255 578 H GLN 76 H GLN 76 -11.289 12.575 11.320 579 HA GLN 76 HA GLN 76 -13.721 14.169 11.151 580 1HB GLN 76 1HB GLN 76 -11.443 15.041 12.671 581 2HB GLN 76 2HB GLN 76 -11.712 16.113 11.311 582 1HG GLN 76 1HG GLN 76 -14.085 16.306 11.959 583 2HG GLN 76 2HG GLN 76 -13.777 15.277 13.344 584 1HE2 GLN 76 2HE2 GLN 76 -14.881 17.669 13.852 585 2HE2 GLN 76 1HE2 GLN 76 -13.708 18.760 14.557 586 H HIS 77 H HIS 77 -11.775 12.351 9.571 587 HA HIS 77 HA HIS 77 -11.377 14.208 7.311 588 1HB HIS 77 1HB HIS 77 -9.434 12.965 8.185 589 2HB HIS 77 2HB HIS 77 -10.215 11.479 7.680 590 HD1 HIS 77 1HD HIS 77 -8.734 14.669 6.181 591 HD2 HIS 77 2HD HIS 77 -9.940 10.755 5.131 592 HE1 HIS 77 1HE HIS 77 -7.972 14.301 3.749 593 HE2 HIS 77 2HE HIS 77 -8.664 11.901 3.139 594 H GLY 78 H GLY 78 -13.409 11.755 8.437 595 1HA GLY 78 1HA GLY 78 -14.914 10.337 7.468 596 2HA GLY 78 2HA GLY 78 -15.316 11.754 6.519 597 HA PRO 79 HA PRO 79 -13.993 8.627 3.515 598 1HB PRO 79 1HB PRO 79 -16.079 9.046 1.768 599 2HB PRO 79 2HB PRO 79 -16.043 7.807 3.007 600 1HG PRO 79 1HG PRO 79 -17.583 10.311 2.944 601 2HG PRO 79 2HG PRO 79 -17.829 8.895 3.946 602 1HD PRO 79 1HD PRO 79 -16.626 11.362 4.714 603 2HD PRO 79 2HD PRO 79 -16.786 9.912 5.687 604 H PHE 80 H PHE 80 -12.367 9.326 2.298 605 HA PHE 80 HA PHE 80 -12.719 11.312 0.257 606 1HB PHE 80 1HB PHE 80 -11.974 12.235 2.888 607 2HB PHE 80 2HB PHE 80 -10.699 12.547 1.728 608 HD1 PHE 80 1HD PHE 80 -11.428 13.650 -0.539 609 HD2 PHE 80 2HD PHE 80 -13.697 13.712 3.139 610 HE1 PHE 80 1HE PHE 80 -12.659 15.676 -1.327 611 HE2 PHE 80 2HE PHE 80 -14.944 15.716 2.339 612 HZ PHE 80 HZ PHE 80 -14.415 16.697 0.113 613 H GLN 81 H GLN 81 -9.941 10.753 2.437 614 HA GLN 81 HA GLN 81 -7.982 10.400 0.596 615 1HB GLN 81 1HB GLN 81 -6.900 8.881 2.235 616 2HB GLN 81 2HB GLN 81 -7.472 10.393 2.909 617 1HG GLN 81 1HG GLN 81 -8.392 9.097 4.487 618 2HG GLN 81 2HG GLN 81 -9.639 8.821 3.287 619 1HE2 GLN 81 2HE2 GLN 81 -8.902 7.110 5.503 620 2HE2 GLN 81 1HE2 GLN 81 -8.395 5.591 4.802 621 H SER 82 H SER 82 -10.231 7.795 1.648 622 HA SER 82 HA SER 82 -9.099 5.633 0.350 623 1HB SER 82 1HB SER 82 -11.075 5.617 1.859 624 2HB SER 82 2HB SER 82 -12.037 6.234 0.533 625 HG SER 82 HG SER 82 -12.166 3.964 0.725 626 H THR 83 H THR 83 -11.111 8.186 -0.981 627 HA THR 83 HA THR 83 -11.553 7.368 -3.555 628 HB THR 83 HB THR 83 -12.103 9.598 -2.373 629 HG1 THR 83 1HG THR 83 -12.447 10.428 -4.477 630 1HG2 THR 83 1HG2 THR 83 -9.786 10.537 -2.220 631 2HG2 THR 83 2HG2 THR 83 -9.681 10.464 -4.014 632 3HG2 THR 83 3HG2 THR 83 -10.876 11.552 -3.226 633 H ARG 84 H ARG 84 -8.521 8.762 -2.357 634 HA ARG 84 HA ARG 84 -7.184 8.145 -4.885 635 1HB ARG 84 1HB ARG 84 -6.727 10.100 -2.725 636 2HB ARG 84 2HB ARG 84 -5.318 9.465 -3.550 637 1HG ARG 84 1HG ARG 84 -7.675 10.866 -4.767 638 2HG ARG 84 2HG ARG 84 -6.018 11.432 -4.703 639 1HD ARG 84 1HD ARG 84 -5.872 8.986 -6.039 640 2HD ARG 84 2HD ARG 84 -7.309 9.756 -6.680 641 HE ARG 84 HE ARG 84 -4.660 10.405 -7.359 642 1HH1 ARG 84 1HH2 ARG 84 -7.616 12.050 -6.442 643 2HH1 ARG 84 2HH2 ARG 84 -7.169 13.519 -7.281 644 1HH2 ARG 84 1HH1 ARG 84 -4.137 12.318 -8.390 645 2HH2 ARG 84 2HH1 ARG 84 -5.253 13.664 -8.354 646 H ILE 85 H ILE 85 -6.816 7.692 -1.414 647 HA ILE 85 HA ILE 85 -4.505 6.265 -1.235 648 HB ILE 85 HB ILE 85 -7.048 6.181 0.278 649 1HG1 ILE 85 1HG1 ILE 85 -5.751 7.113 2.019 650 2HG1 ILE 85 2HG1 ILE 85 -4.249 6.651 1.245 651 1HG2 ILE 85 1HG2 ILE 85 -6.383 3.816 0.277 652 2HG2 ILE 85 2HG2 ILE 85 -4.734 4.289 0.814 653 3HG2 ILE 85 3HG2 ILE 85 -6.143 4.556 1.898 654 1HD1 ILE 85 1HD1 ILE 85 -4.661 8.273 -0.573 655 2HD1 ILE 85 2HD1 ILE 85 -6.203 8.747 0.222 656 3HD1 ILE 85 3HD1 ILE 85 -4.633 9.075 1.036 657 H TYR 86 H TYR 86 -7.580 5.170 -2.488 658 HA TYR 86 HA TYR 86 -6.572 2.485 -3.018 659 1HB TYR 86 1HB TYR 86 -9.137 3.954 -3.457 660 2HB TYR 86 2HB TYR 86 -8.857 2.325 -4.039 661 HD1 TYR 86 1HD TYR 86 -9.842 0.693 -2.823 662 HD2 TYR 86 2HD TYR 86 -8.258 4.137 -0.789 663 HE1 TYR 86 1HE TYR 86 -10.561 -0.247 -0.633 664 HE2 TYR 86 2HE TYR 86 -8.882 3.166 1.417 665 HH TYR 86 HH TYR 86 -10.151 1.537 2.387 666 H GLN 87 H GLN 87 -7.880 5.299 -4.930 667 HA GLN 87 HA GLN 87 -7.407 4.268 -7.447 668 1HB GLN 87 1HB GLN 87 -7.736 6.907 -6.358 669 2HB GLN 87 2HB GLN 87 -6.602 6.907 -7.694 670 1HG GLN 87 1HG GLN 87 -9.423 5.926 -7.679 671 2HG GLN 87 2HG GLN 87 -8.752 7.255 -8.603 672 1HE2 GLN 87 2HE2 GLN 87 -9.205 3.683 -8.616 673 2HE2 GLN 87 1HE2 GLN 87 -8.374 3.425 -10.135 674 H ILE 88 H ILE 88 -5.014 5.318 -5.215 675 HA ILE 88 HA ILE 88 -2.868 5.110 -7.210 676 HB ILE 88 HB ILE 88 -3.080 6.262 -4.447 677 1HG1 ILE 88 1HG1 ILE 88 -1.942 7.913 -6.545 678 2HG1 ILE 88 2HG1 ILE 88 -3.535 7.332 -6.988 679 1HG2 ILE 88 1HG2 ILE 88 -0.907 5.134 -4.645 680 2HG2 ILE 88 2HG2 ILE 88 -0.613 6.014 -6.186 681 3HG2 ILE 88 3HG2 ILE 88 -0.726 6.922 -4.640 682 1HD1 ILE 88 1HD1 ILE 88 -4.450 8.147 -4.856 683 2HD1 ILE 88 2HD1 ILE 88 -2.816 8.743 -4.403 684 3HD1 ILE 88 3HD1 ILE 88 -3.684 9.476 -5.795 685 H ALA 89 H ALA 89 -4.144 3.610 -4.241 686 HA ALA 89 HA ALA 89 -2.004 1.645 -4.219 687 1HB ALA 89 1HB ALA 89 -2.904 2.405 -2.114 688 2HB ALA 89 2HB ALA 89 -4.544 1.848 -2.601 689 3HB ALA 89 3HB ALA 89 -3.230 0.650 -2.332 690 H LYS 90 H LYS 90 -4.178 1.945 -6.443 691 HA LYS 90 HA LYS 90 -5.167 -0.835 -6.492 692 1HB LYS 90 1HB LYS 90 -6.857 -0.105 -7.971 693 2HB LYS 90 2HB LYS 90 -6.783 1.085 -6.688 694 1HG LYS 90 1HG LYS 90 -6.761 2.558 -8.387 695 2HG LYS 90 2HG LYS 90 -5.056 2.164 -8.457 696 1HD LYS 90 1HD LYS 90 -5.717 0.321 -10.094 697 2HD LYS 90 2HD LYS 90 -7.275 1.118 -10.186 698 1HE LYS 90 1HE LYS 90 -4.630 2.018 -11.198 699 2HE LYS 90 2HE LYS 90 -6.200 2.079 -11.974 700 1HZ LYS 90 1HZ LYS 90 -6.808 3.833 -10.493 701 2HZ LYS 90 2HZ LYS 90 -5.324 3.775 -9.761 702 3HZ LYS 90 3HZ LYS 90 -5.447 4.238 -11.346 703 H ASN 91 H ASN 91 -3.260 1.569 -8.199 704 HA ASN 91 HA ASN 91 -2.503 -0.327 -10.279 705 1HB ASN 91 1HB ASN 91 -0.992 1.607 -10.954 706 2HB ASN 91 2HB ASN 91 -2.722 1.848 -11.097 707 1HD2 ASN 91 2HD2 ASN 91 -0.132 2.222 -8.681 708 2HD2 ASN 91 1HD2 ASN 91 -0.709 3.754 -8.063 709 H LEU 92 H LEU 92 -1.761 -0.324 -7.164 710 HA LEU 92 HA LEU 92 1.098 -0.382 -7.161 711 1HB LEU 92 1HB LEU 92 -1.104 -0.986 -5.337 712 2HB LEU 92 2HB LEU 92 0.318 -1.981 -5.092 713 HG LEU 92 HG LEU 92 0.445 0.997 -5.288 714 1HD1 LEU 92 1HD1 LEU 92 -1.064 0.421 -3.457 715 2HD1 LEU 92 2HD1 LEU 92 0.164 -0.721 -2.807 716 3HD1 LEU 92 3HD1 LEU 92 0.497 1.045 -2.822 717 1HD2 LEU 92 1HD2 LEU 92 2.353 -1.059 -4.115 718 2HD2 LEU 92 2HD2 LEU 92 2.572 -0.182 -5.670 719 3HD2 LEU 92 3HD2 LEU 92 2.602 0.722 -4.116 720 HA PRO 93 HA PRO 93 0.761 -5.078 -7.703 721 1HB PRO 93 1HB PRO 93 -1.669 -6.207 -8.319 722 2HB PRO 93 2HB PRO 93 -0.995 -6.121 -6.704 723 1HG PRO 93 1HG PRO 93 -3.217 -4.577 -7.862 724 2HG PRO 93 2HG PRO 93 -2.812 -4.824 -6.175 725 1HD PRO 93 1HD PRO 93 -2.270 -2.537 -7.767 726 2HD PRO 93 2HD PRO 93 -1.803 -2.814 -6.102 727 H ASN 94 H ASN 94 -0.522 -2.717 -9.695 728 HA ASN 94 HA ASN 94 -0.437 -4.325 -12.153 729 1HB ASN 94 1HB ASN 94 -1.056 -1.439 -11.574 730 2HB ASN 94 2HB ASN 94 -1.054 -2.133 -13.182 731 1HD2 ASN 94 2HD2 ASN 94 -3.257 -0.867 -12.037 732 2HD2 ASN 94 1HD2 ASN 94 -4.518 -2.054 -11.788 733 H VAL 95 H VAL 95 1.303 -1.754 -10.471 734 HA VAL 95 HA VAL 95 3.355 -1.724 -12.602 735 HB VAL 95 HB VAL 95 3.122 0.203 -10.321 736 1HG1 VAL 95 1HG1 VAL 95 5.284 0.182 -11.487 737 2HG1 VAL 95 2HG1 VAL 95 4.432 0.401 -13.055 738 3HG1 VAL 95 3HG1 VAL 95 4.387 1.706 -11.818 739 1HG2 VAL 95 1HG2 VAL 95 1.887 0.474 -13.095 740 2HG2 VAL 95 2HG2 VAL 95 0.979 0.274 -11.557 741 3HG2 VAL 95 3HG2 VAL 95 1.944 1.763 -11.844 742 H CYS 96 H CYS 96 2.705 -3.022 -9.604 743 HA CYS 96 HA CYS 96 5.520 -3.741 -9.193 744 1HB CYS 96 1HB CYS 96 3.890 -2.193 -7.434 745 2HB CYS 96 2HB CYS 96 4.242 -3.734 -6.678 746 H ASN 97 H ASN 97 3.590 -5.158 -10.747 747 HA ASN 97 HA ASN 97 1.997 -7.070 -9.925 748 1HB ASN 97 1HB ASN 97 4.419 -7.346 -11.624 749 2HB ASN 97 2HB ASN 97 3.497 -8.779 -11.219 750 1HD2 ASN 97 2HD2 ASN 97 3.293 -5.562 -12.628 751 2HD2 ASN 97 1HD2 ASN 97 1.920 -5.901 -13.658 752 H MET 98 H MET 98 1.787 -8.079 -8.084 753 HA MET 98 HA MET 98 4.028 -9.590 -7.004 754 1HB MET 98 1HB MET 98 3.656 -8.636 -4.721 755 2HB MET 98 2HB MET 98 4.470 -7.599 -5.874 756 1HG MET 98 1HG MET 98 1.900 -6.893 -6.292 757 2HG MET 98 2HG MET 98 1.849 -7.301 -4.589 758 1HE MET 98 1HE MET 98 0.947 -4.512 -5.075 759 2HE MET 98 2HE MET 98 1.381 -5.110 -3.435 760 3HE MET 98 3HE MET 98 2.023 -3.534 -4.017 761 H LYS 99 H LYS 99 1.158 -9.798 -8.108 762 HA LYS 99 HA LYS 99 0.367 -11.894 -6.216 763 1HB LYS 99 1HB LYS 99 -0.921 -10.138 -5.385 764 2HB LYS 99 2HB LYS 99 -1.249 -9.506 -6.987 765 1HG LYS 99 1HG LYS 99 -2.321 -12.080 -6.984 766 2HG LYS 99 2HG LYS 99 -2.756 -11.395 -5.430 767 1HD LYS 99 1HD LYS 99 -4.491 -10.529 -6.615 768 2HD LYS 99 2HD LYS 99 -3.314 -9.297 -7.023 769 1HE LYS 99 1HE LYS 99 -3.326 -11.682 -8.762 770 2HE LYS 99 2HE LYS 99 -4.746 -10.661 -8.865 771 1HZ LYS 99 1HZ LYS 99 -3.321 -8.809 -9.329 772 2HZ LYS 99 2HZ LYS 99 -1.979 -9.773 -9.233 773 3HZ LYS 99 3HZ LYS 99 -3.086 -10.014 -10.441 774 H GLN 100 H GLN 100 1.085 -13.389 -7.724 775 HA GLN 100 HA GLN 100 -0.273 -13.297 -10.336 776 1HB GLN 100 1HB GLN 100 2.194 -13.740 -10.062 777 2HB GLN 100 2HB GLN 100 1.741 -15.317 -9.451 778 1HG GLN 100 1HG GLN 100 0.426 -14.508 -11.962 779 2HG GLN 100 2HG GLN 100 2.154 -14.773 -12.077 780 1HE2 GLN 100 2HE2 GLN 100 -0.516 -16.251 -12.884 781 2HE2 GLN 100 1HE2 GLN 100 -0.153 -17.911 -12.468 782 H ILE 101 H ILE 101 -1.924 -13.690 -8.071 783 HA ILE 101 HA ILE 101 -2.850 -16.436 -8.586 784 HB ILE 101 HB ILE 101 -1.994 -16.948 -6.577 785 1HG1 ILE 101 1HG1 ILE 101 -3.660 -16.943 -4.846 786 2HG1 ILE 101 2HG1 ILE 101 -4.498 -15.603 -5.602 787 1HG2 ILE 101 1HG2 ILE 101 -0.863 -14.823 -6.153 788 2HG2 ILE 101 2HG2 ILE 101 -2.416 -14.105 -5.598 789 3HG2 ILE 101 3HG2 ILE 101 -1.652 -15.431 -4.655 790 1HD1 ILE 101 1HD1 ILE 101 -5.026 -17.015 -7.572 791 2HD1 ILE 101 2HD1 ILE 101 -4.167 -18.391 -6.795 792 3HD1 ILE 101 3HD1 ILE 101 -5.668 -17.737 -6.055 793 H GLY 102 H GLY 102 -3.770 -13.429 -6.878 794 1HA GLY 102 1HA GLY 102 -5.643 -12.126 -7.765 795 2HA GLY 102 2HA GLY 102 -6.385 -13.627 -8.284 796 H THR 103 H THR 103 -5.452 -11.702 -5.527 797 HA THR 103 HA THR 103 -7.116 -13.318 -3.720 798 HB THR 103 HB THR 103 -5.741 -11.165 -2.434 799 HG1 THR 103 1HG THR 103 -3.607 -11.828 -2.950 800 1HG2 THR 103 1HG2 THR 103 -6.345 -13.298 -1.349 801 2HG2 THR 103 2HG2 THR 103 -5.199 -14.152 -2.437 802 3HG2 THR 103 3HG2 THR 103 -4.582 -12.970 -1.232 803 H CYS 104 H CYS 104 -6.567 -9.888 -4.548 804 HA CYS 104 HA CYS 104 -9.448 -9.424 -4.482 805 1HB CYS 104 1HB CYS 104 -9.374 -7.607 -2.972 806 2HB CYS 104 2HB CYS 104 -8.657 -8.998 -2.185 807 HA PRO 105 HA PRO 105 -7.061 -7.347 -7.822 808 1HB PRO 105 1HB PRO 105 -8.440 -8.431 -9.945 809 2HB PRO 105 2HB PRO 105 -6.940 -9.062 -9.299 810 1HG PRO 105 1HG PRO 105 -9.667 -10.134 -9.025 811 2HG PRO 105 2HG PRO 105 -8.136 -10.950 -8.788 812 1HD PRO 105 1HD PRO 105 -9.881 -9.954 -6.777 813 2HD PRO 105 2HD PRO 105 -8.299 -10.671 -6.546 814 H PHE 106 H PHE 106 -8.795 -6.075 -6.246 815 HA PHE 106 HA PHE 106 -11.191 -5.134 -7.498 816 1HB PHE 106 1HB PHE 106 -11.409 -3.876 -5.594 817 2HB PHE 106 2HB PHE 106 -10.321 -5.118 -5.009 818 HD1 PHE 106 1HD PHE 106 -7.842 -4.612 -4.777 819 HD2 PHE 106 2HD PHE 106 -10.747 -1.567 -5.739 820 HE1 PHE 106 1HE PHE 106 -6.199 -2.848 -4.146 821 HE2 PHE 106 2HE PHE 106 -9.105 0.194 -5.106 822 HZ PHE 106 HZ PHE 106 -6.842 -0.443 -4.288 823 H ILE 107 H ILE 107 -11.577 -3.047 -8.350 824 HA ILE 107 HA ILE 107 -9.809 -1.008 -8.897 825 HB ILE 107 HB ILE 107 -9.475 -1.694 -11.442 826 1HG1 ILE 107 1HG1 ILE 107 -8.675 -4.309 -10.290 827 2HG1 ILE 107 2HG1 ILE 107 -10.353 -4.077 -10.736 828 1HG2 ILE 107 1HG2 ILE 107 -7.758 -0.755 -10.015 829 2HG2 ILE 107 2HG2 ILE 107 -7.548 -2.342 -9.196 830 3HG2 ILE 107 3HG2 ILE 107 -7.098 -2.157 -10.928 831 1HD1 ILE 107 1HD1 ILE 107 -9.688 -3.494 -13.022 832 2HD1 ILE 107 2HD1 ILE 107 -7.965 -3.731 -12.564 833 3HD1 ILE 107 3HD1 ILE 107 -9.099 -5.128 -12.553 834 H ALA 108 H ALA 108 -10.987 0.553 -9.633 835 HA ALA 108 HA ALA 108 -12.742 0.832 -11.646 836 1HB ALA 108 1HB ALA 108 -14.075 -1.087 -10.894 837 2HB ALA 108 2HB ALA 108 -14.303 -0.295 -9.296 838 3HB ALA 108 3HB ALA 108 -15.018 0.437 -10.774 839 H ILE 109 H ILE 109 -12.105 1.448 -8.317 840 HA ILE 109 HA ILE 109 -13.708 3.700 -7.868 841 HB ILE 109 HB ILE 109 -12.399 4.075 -5.940 842 1HG1 ILE 109 1HG1 ILE 109 -10.096 4.014 -6.679 843 2HG1 ILE 109 2HG1 ILE 109 -10.337 2.939 -5.318 844 1HG2 ILE 109 1HG2 ILE 109 -13.840 2.122 -5.796 845 2HG2 ILE 109 2HG2 ILE 109 -12.538 1.087 -6.479 846 3HG2 ILE 109 3HG2 ILE 109 -12.334 1.836 -4.857 847 1HD1 ILE 109 1HD1 ILE 109 -10.400 0.990 -6.839 848 2HD1 ILE 109 2HD1 ILE 109 -10.152 2.094 -8.237 849 3HD1 ILE 109 3HD1 ILE 109 -8.861 1.905 -6.999 Start of MODEL 7 1 1H GLN 1 1H GLN 1 -4.037 -15.906 0.141 2 2H GLN 1 2H GLN 1 -5.529 -15.209 -0.033 3 3H GLN 1 3H GLN 1 -4.170 -14.381 -0.491 4 HA GLN 1 HA GLN 1 -3.408 -14.332 1.756 5 1HB GLN 1 1HB GLN 1 -4.560 -12.409 1.041 6 2HB GLN 1 2HB GLN 1 -6.113 -13.206 1.184 7 1HG GLN 1 1HG GLN 1 -4.891 -13.342 3.721 8 2HG GLN 1 2HG GLN 1 -4.696 -11.699 3.148 9 1HE2 GLN 1 2HE2 GLN 1 -7.152 -14.280 3.474 10 2HE2 GLN 1 1HE2 GLN 1 -8.491 -13.189 3.751 11 HA PRO 2 HA PRO 2 -5.505 -17.748 3.812 12 1HB PRO 2 1HB PRO 2 -3.331 -18.497 5.322 13 2HB PRO 2 2HB PRO 2 -3.717 -19.142 3.739 14 1HG PRO 2 1HG PRO 2 -1.624 -17.243 4.500 15 2HG PRO 2 2HG PRO 2 -1.763 -18.209 3.045 16 1HD PRO 2 1HD PRO 2 -2.302 -15.430 3.321 17 2HD PRO 2 2HD PRO 2 -2.550 -16.419 1.897 18 H GLN 3 H GLN 3 -4.964 -18.344 6.455 19 HA GLN 3 HA GLN 3 -5.820 -15.869 7.769 20 1HB GLN 3 1HB GLN 3 -6.652 -18.456 7.963 21 2HB GLN 3 2HB GLN 3 -5.593 -18.318 9.353 22 1HG GLN 3 1HG GLN 3 -7.072 -17.049 10.460 23 2HG GLN 3 2HG GLN 3 -7.279 -15.984 9.083 24 1HE2 GLN 3 2HE2 GLN 3 -9.503 -15.760 9.311 25 2HE2 GLN 3 1HE2 GLN 3 -10.610 -17.077 9.002 26 H LYS 4 H LYS 4 -3.169 -18.188 7.788 27 HA LYS 4 HA LYS 4 -1.895 -17.264 10.133 28 1HB LYS 4 1HB LYS 4 -1.408 -19.246 8.220 29 2HB LYS 4 2HB LYS 4 0.009 -18.214 8.222 30 1HG LYS 4 1HG LYS 4 -0.478 -18.451 10.895 31 2HG LYS 4 2HG LYS 4 -0.996 -20.021 10.314 32 1HD LYS 4 1HD LYS 4 1.195 -20.206 9.106 33 2HD LYS 4 2HD LYS 4 1.701 -18.738 9.916 34 1HE LYS 4 1HE LYS 4 1.492 -19.790 12.079 35 2HE LYS 4 2HE LYS 4 0.781 -21.223 11.362 36 1HZ LYS 4 1HZ LYS 4 2.831 -21.603 10.208 37 2HZ LYS 4 2HZ LYS 4 3.503 -20.250 10.887 38 3HZ LYS 4 3HZ LYS 4 3.091 -21.537 11.843 39 H CYS 5 H CYS 5 -1.178 -16.545 6.691 40 HA CYS 5 HA CYS 5 0.769 -14.584 7.109 41 1HB CYS 5 1HB CYS 5 0.562 -14.997 4.887 42 2HB CYS 5 2HB CYS 5 -1.179 -15.167 4.976 43 H GLN 6 H GLN 6 -2.817 -14.165 6.908 44 HA GLN 6 HA GLN 6 -2.846 -11.405 7.378 45 1HB GLN 6 1HB GLN 6 -4.775 -13.568 8.137 46 2HB GLN 6 2HB GLN 6 -5.114 -11.863 8.362 47 1HG GLN 6 1HG GLN 6 -4.749 -11.499 5.948 48 2HG GLN 6 2HG GLN 6 -4.496 -13.221 5.747 49 1HE2 GLN 6 2HE2 GLN 6 -6.804 -10.698 6.115 50 2HE2 GLN 6 1HE2 GLN 6 -8.247 -11.686 6.098 51 H ARG 7 H ARG 7 -2.435 -14.039 9.633 52 HA ARG 7 HA ARG 7 -2.331 -12.244 11.919 53 1HB ARG 7 1HB ARG 7 -3.188 -14.828 11.633 54 2HB ARG 7 2HB ARG 7 -1.601 -15.029 12.348 55 1HG ARG 7 1HG ARG 7 -2.275 -14.201 14.335 56 2HG ARG 7 2HG ARG 7 -3.136 -12.874 13.579 57 1HD ARG 7 1HD ARG 7 -4.769 -14.884 12.902 58 2HD ARG 7 2HD ARG 7 -4.115 -15.545 14.387 59 HE ARG 7 HE ARG 7 -5.059 -12.791 14.575 60 1HH1 ARG 7 1HH2 ARG 7 -5.911 -16.155 14.983 61 2HH1 ARG 7 2HH2 ARG 7 -7.245 -15.795 16.057 62 1HH2 ARG 7 1HH1 ARG 7 -6.771 -12.362 15.952 63 2HH2 ARG 7 2HH1 ARG 7 -7.723 -13.680 16.597 64 H GLU 8 H GLU 8 -0.189 -12.692 9.633 65 HA GLU 8 HA GLU 8 2.159 -12.807 11.401 66 1HB GLU 8 1HB GLU 8 1.550 -14.440 9.097 67 2HB GLU 8 2HB GLU 8 3.077 -13.598 8.929 68 1HG GLU 8 1HG GLU 8 2.768 -14.690 11.587 69 2HG GLU 8 2HG GLU 8 2.624 -15.937 10.367 70 H PHE 9 H PHE 9 0.510 -11.329 8.759 71 HA PHE 9 HA PHE 9 2.684 -9.612 7.956 72 1HB PHE 9 1HB PHE 9 1.214 -10.144 6.213 73 2HB PHE 9 2HB PHE 9 -0.196 -10.015 7.244 74 HD1 PHE 9 1HD PHE 9 -0.858 -7.651 8.067 75 HD2 PHE 9 2HD PHE 9 1.765 -8.427 4.754 76 HE1 PHE 9 1HE PHE 9 -1.109 -5.297 7.356 77 HE2 PHE 9 2HE PHE 9 1.235 -6.182 3.870 78 HZ PHE 9 HZ PHE 9 -0.124 -4.579 5.187 79 H GLN 10 H GLN 10 -0.339 -9.481 9.847 80 HA GLN 10 HA GLN 10 0.226 -6.688 10.524 81 1HB GLN 10 1HB GLN 10 -2.019 -6.911 9.947 82 2HB GLN 10 2HB GLN 10 -2.177 -8.441 10.785 83 1HG GLN 10 1HG GLN 10 -2.227 -7.412 12.896 84 2HG GLN 10 2HG GLN 10 -1.571 -5.911 12.276 85 1HE2 GLN 10 2HE2 GLN 10 -2.889 -4.332 11.637 86 2HE2 GLN 10 1HE2 GLN 10 -4.628 -4.482 11.525 87 H GLN 11 H GLN 11 0.776 -9.831 11.707 88 HA GLN 11 HA GLN 11 0.453 -9.634 14.431 89 1HB GLN 11 1HB GLN 11 1.558 -11.434 12.771 90 2HB GLN 11 2HB GLN 11 2.999 -10.800 13.544 91 1HG GLN 11 1HG GLN 11 0.961 -11.217 15.511 92 2HG GLN 11 2HG GLN 11 1.177 -12.684 14.577 93 1HE2 GLN 11 2HE2 GLN 11 1.825 -11.927 17.390 94 2HE2 GLN 11 1HE2 GLN 11 3.511 -12.354 17.576 95 H GLU 12 H GLU 12 3.293 -8.623 12.552 96 HA GLU 12 HA GLU 12 3.874 -6.382 14.118 97 1HB GLU 12 1HB GLU 12 6.077 -7.442 15.122 98 2HB GLU 12 2HB GLU 12 4.570 -7.415 16.014 99 1HG GLU 12 1HG GLU 12 4.209 -9.673 15.744 100 2HG GLU 12 2HG GLU 12 5.133 -9.751 14.258 101 H GLN 13 H GLN 13 3.790 -7.274 11.396 102 HA GLN 13 HA GLN 13 6.295 -6.148 10.507 103 1HB GLN 13 1HB GLN 13 5.869 -9.033 10.448 104 2HB GLN 13 2HB GLN 13 6.327 -8.350 8.901 105 1HG GLN 13 1HG GLN 13 8.410 -7.805 9.606 106 2HG GLN 13 2HG GLN 13 7.865 -7.389 11.218 107 1HE2 GLN 13 2HE2 GLN 13 9.489 -8.497 12.279 108 2HE2 GLN 13 1HE2 GLN 13 9.604 -10.243 12.270 109 H HIS 14 H HIS 14 4.047 -4.907 10.285 110 HA HIS 14 HA HIS 14 2.513 -5.657 7.970 111 1HB HIS 14 1HB HIS 14 2.374 -2.882 8.912 112 2HB HIS 14 2HB HIS 14 1.089 -4.009 8.528 113 HD1 HIS 14 1HD HIS 14 1.141 -2.133 11.110 114 HD2 HIS 14 2HD HIS 14 2.259 -6.187 10.899 115 HE1 HIS 14 1HE HIS 14 0.907 -3.097 13.487 116 HE2 HIS 14 2HE HIS 14 1.675 -5.526 13.354 117 H LEU 15 H LEU 15 2.335 -2.943 6.884 118 HA LEU 15 HA LEU 15 4.958 -2.838 5.535 119 1HB LEU 15 1HB LEU 15 2.427 -2.082 4.173 120 2HB LEU 15 2HB LEU 15 3.980 -2.494 3.472 121 HG LEU 15 HG LEU 15 1.890 -4.265 4.584 122 1HD1 LEU 15 1HD1 LEU 15 1.638 -3.718 2.270 123 2HD1 LEU 15 2HD1 LEU 15 3.329 -4.234 1.944 124 3HD1 LEU 15 3HD1 LEU 15 2.101 -5.446 2.449 125 1HD2 LEU 15 1HD2 LEU 15 4.726 -5.138 4.048 126 2HD2 LEU 15 2HD2 LEU 15 3.888 -5.103 5.638 127 3HD2 LEU 15 3HD2 LEU 15 3.331 -6.230 4.353 128 H ARG 16 H ARG 16 5.182 -0.675 4.351 129 HA ARG 16 HA ARG 16 4.161 1.572 5.860 130 1HB ARG 16 1HB ARG 16 6.677 2.338 6.048 131 2HB ARG 16 2HB ARG 16 5.864 1.490 7.348 132 1HG ARG 16 1HG ARG 16 7.156 -0.210 5.315 133 2HG ARG 16 2HG ARG 16 8.238 0.720 6.332 134 1HD ARG 16 1HD ARG 16 7.230 -0.213 8.322 135 2HD ARG 16 2HD ARG 16 6.045 -1.066 7.355 136 HE ARG 16 HE ARG 16 8.597 -1.847 6.463 137 1HH1 ARG 16 1HH2 ARG 16 6.619 -2.168 9.328 138 2HH1 ARG 16 2HH2 ARG 16 7.368 -3.676 9.806 139 1HH2 ARG 16 1HH1 ARG 16 9.542 -3.775 7.103 140 2HH2 ARG 16 2HH1 ARG 16 9.000 -4.572 8.564 141 H ALA 17 H ALA 17 7.215 1.308 4.038 142 HA ALA 17 HA ALA 17 7.022 3.362 2.388 143 1HB ALA 17 1HB ALA 17 8.891 1.810 2.367 144 2HB ALA 17 2HB ALA 17 7.857 0.572 1.571 145 3HB ALA 17 3HB ALA 17 8.280 2.086 0.698 146 H CYS 18 H CYS 18 5.459 0.255 1.554 147 HA CYS 18 HA CYS 18 4.162 1.060 -0.750 148 1HB CYS 18 1HB CYS 18 4.269 -1.209 0.793 149 2HB CYS 18 2HB CYS 18 2.581 -0.742 0.829 150 H GLN 19 H GLN 19 2.768 0.861 2.514 151 HA GLN 19 HA GLN 19 0.673 2.687 1.763 152 1HB GLN 19 1HB GLN 19 0.075 2.393 4.177 153 2HB GLN 19 2HB GLN 19 0.022 0.976 3.148 154 1HG GLN 19 1HG GLN 19 1.722 -0.040 4.218 155 2HG GLN 19 2HG GLN 19 2.523 1.468 4.610 156 1HE2 GLN 19 2HE2 GLN 19 0.845 2.912 6.057 157 2HE2 GLN 19 1HE2 GLN 19 0.321 2.058 7.490 158 H GLN 20 H GLN 20 3.256 3.895 1.503 159 HA GLN 20 HA GLN 20 2.991 6.077 3.421 160 1HB GLN 20 1HB GLN 20 5.414 4.374 3.174 161 2HB GLN 20 2HB GLN 20 5.583 6.088 3.489 162 1HG GLN 20 1HG GLN 20 3.598 4.952 5.221 163 2HG GLN 20 2HG GLN 20 5.097 4.054 5.348 164 1HE2 GLN 20 2HE2 GLN 20 4.095 5.418 7.505 165 2HE2 GLN 20 1HE2 GLN 20 5.124 6.790 7.852 166 H TRP 21 H TRP 21 4.797 4.801 0.623 167 HA TRP 21 HA TRP 21 5.552 7.253 -0.468 168 1HB TRP 21 1HB TRP 21 5.919 6.092 -2.457 169 2HB TRP 21 2HB TRP 21 6.231 4.943 -1.171 170 HD1 TRP 21 HD TRP 21 5.040 2.658 -1.353 171 HE1 TRP 21 1HE TRP 21 3.164 1.672 -2.852 172 HE3 TRP 21 3HE TRP 21 3.823 6.871 -3.860 173 HZ2 TRP 21 2HZ TRP 21 1.401 2.661 -4.864 174 HZ3 TRP 21 3HZ TRP 21 2.032 6.853 -5.564 175 HH2 TRP 21 HH TRP 21 0.873 4.728 -6.124 176 H ILE 22 H ILE 22 2.462 5.667 -0.298 177 HA ILE 22 HA ILE 22 1.125 7.089 -2.325 178 HB ILE 22 HB ILE 22 -0.012 5.988 0.230 179 1HG1 ILE 22 1HG1 ILE 22 0.335 4.639 -2.436 180 2HG1 ILE 22 2HG1 ILE 22 1.303 4.315 -1.012 181 1HG2 ILE 22 1HG2 ILE 22 -1.526 7.513 -0.959 182 2HG2 ILE 22 2HG2 ILE 22 -1.267 6.579 -2.473 183 3HG2 ILE 22 3HG2 ILE 22 -2.105 5.814 -1.078 184 1HD1 ILE 22 1HD1 ILE 22 -0.705 3.554 0.209 185 2HD1 ILE 22 2HD1 ILE 22 -1.698 3.886 -1.253 186 3HD1 ILE 22 3HD1 ILE 22 -0.443 2.599 -1.292 187 H ARG 23 H ARG 23 2.183 8.028 0.830 188 HA ARG 23 HA ARG 23 0.651 10.485 0.891 189 1HB ARG 23 1HB ARG 23 2.750 9.296 2.660 190 2HB ARG 23 2HB ARG 23 2.155 10.929 2.881 191 1HG ARG 23 1HG ARG 23 0.408 10.132 4.010 192 2HG ARG 23 2HG ARG 23 -0.097 9.241 2.587 193 1HD ARG 23 1HD ARG 23 0.387 7.332 3.619 194 2HD ARG 23 2HD ARG 23 2.061 7.831 3.752 195 HE ARG 23 HE ARG 23 0.590 9.113 5.800 196 1HH1 ARG 23 1HH2 ARG 23 1.760 5.907 5.005 197 2HH1 ARG 23 2HH2 ARG 23 1.721 5.387 6.676 198 1HH2 ARG 23 1HH1 ARG 23 0.518 8.338 7.912 199 2HH2 ARG 23 2HH1 ARG 23 1.045 6.706 8.257 200 H GLN 24 H GLN 24 3.869 9.447 -0.064 201 HA GLN 24 HA GLN 24 4.892 12.122 -0.266 202 1HB GLN 24 1HB GLN 24 5.841 9.437 -0.700 203 2HB GLN 24 2HB GLN 24 6.366 10.515 -1.979 204 1HG GLN 24 1HG GLN 24 8.042 10.743 -0.381 205 2HG GLN 24 2HG GLN 24 7.004 12.120 -0.070 206 1HE2 GLN 24 2HE2 GLN 24 7.203 12.472 2.089 207 2HE2 GLN 24 1HE2 GLN 24 6.879 11.265 3.314 208 H GLN 25 H GLN 25 2.607 10.449 -2.084 209 HA GLN 25 HA GLN 25 3.246 11.572 -4.644 210 1HB GLN 25 1HB GLN 25 1.431 9.660 -3.599 211 2HB GLN 25 2HB GLN 25 0.500 10.866 -4.466 212 1HG GLN 25 1HG GLN 25 2.996 9.845 -5.725 213 2HG GLN 25 2HG GLN 25 1.588 8.803 -5.727 214 1HE2 GLN 25 2HE2 GLN 25 3.112 11.555 -7.116 215 2HE2 GLN 25 1HE2 GLN 25 1.849 11.960 -8.258 216 H LEU 26 H LEU 26 2.005 12.907 -1.826 217 HA LEU 26 HA LEU 26 0.702 15.063 -3.334 218 1HB LEU 26 1HB LEU 26 0.046 14.800 -0.498 219 2HB LEU 26 2HB LEU 26 -0.970 15.212 -1.863 220 HG LEU 26 HG LEU 26 -0.614 12.617 -2.374 221 1HD1 LEU 26 1HD1 LEU 26 0.827 12.242 -0.441 222 2HD1 LEU 26 2HD1 LEU 26 -0.474 12.851 0.640 223 3HD1 LEU 26 3HD1 LEU 26 -0.712 11.326 -0.281 224 1HD2 LEU 26 1HD2 LEU 26 -2.629 13.705 -0.388 225 2HD2 LEU 26 2HD2 LEU 26 -2.791 13.726 -2.179 226 3HD2 LEU 26 3HD2 LEU 26 -2.774 12.159 -1.296 227 H ALA 27 H ALA 27 0.606 17.062 -1.590 228 HA ALA 27 HA ALA 27 3.412 17.759 -1.267 229 1HB ALA 27 1HB ALA 27 1.856 19.357 -2.251 230 2HB ALA 27 2HB ALA 27 0.848 19.299 -0.764 231 3HB ALA 27 3HB ALA 27 2.504 19.992 -0.700 232 H GLY 28 H GLY 28 1.662 15.808 0.516 233 1HA GLY 28 1HA GLY 28 2.225 16.962 3.147 234 2HA GLY 28 2HA GLY 28 1.289 15.521 2.805 235 H SER 29 H SER 29 4.551 16.420 1.679 236 HA SER 29 HA SER 29 5.584 13.989 3.010 237 1HB SER 29 1HB SER 29 5.817 13.603 0.737 238 2HB SER 29 2HB SER 29 6.266 15.265 0.408 239 HG SER 29 HG SER 29 8.063 13.839 0.324 240 HA PRO 30 HA PRO 30 7.650 17.497 5.030 241 1HB PRO 30 1HB PRO 30 7.674 16.381 7.552 242 2HB PRO 30 2HB PRO 30 6.426 17.453 6.949 243 1HG PRO 30 1HG PRO 30 6.304 14.549 7.398 244 2HG PRO 30 2HG PRO 30 4.986 15.684 7.193 245 1HD PRO 30 1HD PRO 30 6.017 13.871 5.264 246 2HD PRO 30 2HD PRO 30 4.760 15.069 5.033 247 H PHE 31 H PHE 31 9.628 17.435 6.568 248 HA PHE 31 HA PHE 31 11.322 15.178 6.607 249 1HB PHE 31 1HB PHE 31 12.910 16.204 4.812 250 2HB PHE 31 2HB PHE 31 11.604 15.134 4.339 251 HD1 PHE 31 1HD PHE 31 9.987 15.803 2.768 252 HD2 PHE 31 2HD PHE 31 12.554 18.731 4.589 253 HE1 PHE 31 1HE PHE 31 9.094 17.547 1.250 254 HE2 PHE 31 2HE PHE 31 11.611 20.483 3.113 255 HZ PHE 31 HZ PHE 31 9.856 19.903 1.439 256 H SER 32 H SER 32 12.809 15.574 8.149 257 HA SER 32 HA SER 32 13.158 18.270 9.114 258 1HB SER 32 1HB SER 32 13.226 16.560 10.737 259 2HB SER 32 2HB SER 32 14.401 15.636 9.821 260 HG SER 32 HG SER 32 15.353 16.764 11.582 261 H GLU 33 H GLU 33 15.554 15.894 7.936 262 HA GLU 33 HA GLU 33 16.909 18.035 6.461 263 1HB GLU 33 1HB GLU 33 18.003 18.101 8.628 264 2HB GLU 33 2HB GLU 33 18.292 16.374 8.554 265 1HG GLU 33 1HG GLU 33 19.828 16.607 6.754 266 2HG GLU 33 2HG GLU 33 19.330 18.258 6.447 267 H ASN 34 H ASN 34 15.706 16.611 4.885 268 HA ASN 34 HA ASN 34 17.511 15.157 3.351 269 1HB ASN 34 1HB ASN 34 17.595 13.393 4.964 270 2HB ASN 34 2HB ASN 34 15.858 13.433 5.187 271 1HD2 ASN 34 2HD2 ASN 34 16.138 11.109 4.882 272 2HD2 ASN 34 1HD2 ASN 34 16.165 10.477 3.252 273 H GLN 35 H GLN 35 16.611 15.269 1.345 274 HA GLN 35 HA GLN 35 14.014 16.038 0.820 275 1HB GLN 35 1HB GLN 35 16.256 15.294 -0.628 276 2HB GLN 35 2HB GLN 35 14.985 14.221 -1.181 277 1HG GLN 35 1HG GLN 35 13.844 15.884 -2.188 278 2HG GLN 35 2HG GLN 35 14.170 17.023 -0.897 279 1HE2 GLN 35 2HE2 GLN 35 14.197 18.077 -3.307 280 2HE2 GLN 35 1HE2 GLN 35 15.824 18.362 -3.885 281 H TRP 36 H TRP 36 12.728 14.451 -0.866 282 HA TRP 36 HA TRP 36 12.337 11.786 -0.097 283 1HB TRP 36 1HB TRP 36 11.389 13.418 1.875 284 2HB TRP 36 2HB TRP 36 9.961 13.136 0.898 285 HD1 TRP 36 HD TRP 36 9.867 10.220 0.264 286 HE1 TRP 36 1HE TRP 36 9.804 8.374 2.087 287 HE3 TRP 36 3HE TRP 36 11.943 12.840 4.107 288 HZ2 TRP 36 2HZ TRP 36 10.606 8.077 4.814 289 HZ3 TRP 36 3HZ TRP 36 12.304 11.759 6.315 290 HH2 TRP 36 HH TRP 36 11.641 9.385 6.673 291 H GLY 37 H GLY 37 11.025 14.801 -1.287 292 1HA GLY 37 1HA GLY 37 8.891 13.806 -2.824 293 2HA GLY 37 2HA GLY 37 9.758 15.301 -3.112 294 HA PRO 38 HA PRO 38 11.395 13.364 -6.681 295 1HB PRO 38 1HB PRO 38 13.662 14.873 -7.104 296 2HB PRO 38 2HB PRO 38 12.044 15.336 -7.591 297 1HG PRO 38 1HG PRO 38 13.674 16.382 -5.374 298 2HG PRO 38 2HG PRO 38 12.257 17.090 -6.125 299 1HD PRO 38 1HD PRO 38 12.377 15.738 -3.634 300 2HD PRO 38 2HD PRO 38 10.944 16.332 -4.446 301 H GLN 39 H GLN 39 14.105 14.255 -4.483 302 HA GLN 39 HA GLN 39 15.962 12.392 -5.239 303 1HB GLN 39 1HB GLN 39 15.666 14.155 -3.156 304 2HB GLN 39 2HB GLN 39 15.762 12.604 -2.346 305 1HG GLN 39 1HG GLN 39 17.735 13.598 -4.379 306 2HG GLN 39 2HG GLN 39 17.961 13.688 -2.644 307 1HE2 GLN 39 2HE2 GLN 39 19.605 12.282 -2.244 308 2HE2 GLN 39 1HE2 GLN 39 19.610 10.604 -2.740 309 H GLN 40 H GLN 40 13.767 11.857 -2.478 310 HA GLN 40 HA GLN 40 14.067 8.988 -2.840 311 1HB GLN 40 1HB GLN 40 13.883 10.526 -0.627 312 2HB GLN 40 2HB GLN 40 12.258 9.885 -0.755 313 1HG GLN 40 1HG GLN 40 12.952 7.705 -0.502 314 2HG GLN 40 2HG GLN 40 14.574 8.048 -1.072 315 1HE2 GLN 40 2HE2 GLN 40 15.741 7.228 0.593 316 2HE2 GLN 40 1HE2 GLN 40 15.676 7.869 2.220 317 H GLY 41 H GLY 41 12.633 10.545 -4.844 318 1HA GLY 41 1HA GLY 41 9.843 10.186 -4.652 319 2HA GLY 41 2HA GLY 41 10.763 10.410 -6.125 320 HA PRO 42 HA PRO 42 10.274 6.201 -7.076 321 1HB PRO 42 1HB PRO 42 12.744 5.374 -7.969 322 2HB PRO 42 2HB PRO 42 11.589 6.284 -8.924 323 1HG PRO 42 1HG PRO 42 14.104 7.205 -7.702 324 2HG PRO 42 2HG PRO 42 13.163 7.956 -8.975 325 1HD PRO 42 1HD PRO 42 13.254 8.702 -6.226 326 2HD PRO 42 2HD PRO 42 12.245 9.395 -7.481 327 H SER 43 H SER 43 12.785 6.978 -4.817 328 HA SER 43 HA SER 43 13.414 4.331 -3.983 329 1HB SER 43 1HB SER 43 13.732 6.485 -2.026 330 2HB SER 43 2HB SER 43 14.887 5.295 -2.589 331 HG SER 43 HG SER 43 15.444 7.429 -3.231 332 H LEU 44 H LEU 44 11.173 3.550 -3.921 333 HA LEU 44 HA LEU 44 10.194 3.149 -1.368 334 1HB LEU 44 1HB LEU 44 9.378 5.697 -2.482 335 2HB LEU 44 2HB LEU 44 7.999 4.668 -2.152 336 HG LEU 44 HG LEU 44 10.065 4.928 -0.044 337 1HD1 LEU 44 1HD1 LEU 44 9.786 7.256 -0.731 338 2HD1 LEU 44 2HD1 LEU 44 8.003 7.081 -0.590 339 3HD1 LEU 44 3HD1 LEU 44 9.037 6.966 0.876 340 1HD2 LEU 44 1HD2 LEU 44 7.047 4.771 -0.003 341 2HD2 LEU 44 2HD2 LEU 44 8.192 3.411 0.271 342 3HD2 LEU 44 3HD2 LEU 44 8.118 4.774 1.443 343 H ARG 45 H ARG 45 9.492 3.542 -4.818 344 HA ARG 45 HA ARG 45 7.307 1.715 -4.873 345 1HB ARG 45 1HB ARG 45 8.433 3.418 -6.687 346 2HB ARG 45 2HB ARG 45 8.916 1.850 -7.305 347 1HG ARG 45 1HG ARG 45 6.745 2.618 -8.228 348 2HG ARG 45 2HG ARG 45 6.613 1.107 -7.350 349 1HD ARG 45 1HD ARG 45 5.111 2.001 -5.949 350 2HD ARG 45 2HD ARG 45 6.214 3.300 -5.541 351 HE ARG 45 HE ARG 45 3.954 3.427 -7.328 352 1HH1 ARG 45 1HH2 ARG 45 7.099 4.837 -6.665 353 2HH1 ARG 45 2HH2 ARG 45 6.709 6.334 -7.483 354 1HH2 ARG 45 1HH1 ARG 45 3.509 5.356 -8.374 355 2HH2 ARG 45 2HH1 ARG 45 4.716 6.621 -8.432 356 H GLU 46 H GLU 46 10.777 1.351 -5.526 357 HA GLU 46 HA GLU 46 10.604 -1.437 -6.125 358 1HB GLU 46 1HB GLU 46 12.734 0.550 -5.716 359 2HB GLU 46 2HB GLU 46 13.175 -1.108 -5.359 360 1HG GLU 46 1HG GLU 46 11.764 -1.276 -7.751 361 2HG GLU 46 2HG GLU 46 12.744 0.165 -7.931 362 H GLN 47 H GLN 47 11.185 0.425 -3.200 363 HA GLN 47 HA GLN 47 11.930 -1.768 -1.560 364 1HB GLN 47 1HB GLN 47 11.594 1.013 -1.201 365 2HB GLN 47 2HB GLN 47 10.563 0.213 -0.033 366 1HG GLN 47 1HG GLN 47 12.515 -1.208 0.620 367 2HG GLN 47 2HG GLN 47 13.518 -0.237 -0.437 368 1HE2 GLN 47 2HE2 GLN 47 11.048 0.239 2.118 369 2HE2 GLN 47 1HE2 GLN 47 11.899 1.530 2.935 370 H CYS 48 H CYS 48 8.778 0.003 -1.806 371 HA CYS 48 HA CYS 48 7.316 -1.803 -0.256 372 1HB CYS 48 1HB CYS 48 5.938 -0.143 -0.657 373 2HB CYS 48 2HB CYS 48 6.751 0.284 -2.149 374 H CYS 49 H CYS 49 8.274 -1.962 -3.656 375 HA CYS 49 HA CYS 49 6.707 -4.195 -4.356 376 1HB CYS 49 1HB CYS 49 8.818 -2.680 -5.485 377 2HB CYS 49 2HB CYS 49 9.181 -4.384 -5.664 378 H ASN 50 H ASN 50 9.175 -3.995 -2.091 379 HA ASN 50 HA ASN 50 9.611 -6.901 -2.062 380 1HB ASN 50 1HB ASN 50 11.451 -4.710 -1.970 381 2HB ASN 50 2HB ASN 50 11.510 -5.579 -0.450 382 1HD2 ASN 50 2HD2 ASN 50 11.230 -6.258 -3.929 383 2HD2 ASN 50 1HD2 ASN 50 12.374 -7.582 -3.940 384 H GLU 51 H GLU 51 9.322 -4.008 0.017 385 HA GLU 51 HA GLU 51 9.058 -5.293 2.455 386 1HB GLU 51 1HB GLU 51 8.891 -3.196 3.186 387 2HB GLU 51 2HB GLU 51 8.994 -2.687 1.511 388 1HG GLU 51 1HG GLU 51 6.579 -2.731 1.310 389 2HG GLU 51 2HG GLU 51 6.426 -3.364 2.936 390 H LEU 52 H LEU 52 6.835 -5.087 -0.207 391 HA LEU 52 HA LEU 52 4.693 -6.082 1.506 392 1HB LEU 52 1HB LEU 52 3.304 -5.073 0.126 393 2HB LEU 52 2HB LEU 52 4.731 -4.256 -0.475 394 HG LEU 52 HG LEU 52 3.488 -4.965 -2.315 395 1HD1 LEU 52 1HD1 LEU 52 5.863 -5.277 -2.675 396 2HD1 LEU 52 2HD1 LEU 52 5.744 -6.941 -2.006 397 3HD1 LEU 52 3HD1 LEU 52 4.905 -6.527 -3.540 398 1HD2 LEU 52 1HD2 LEU 52 3.402 -7.699 -1.041 399 2HD2 LEU 52 2HD2 LEU 52 2.038 -6.541 -1.218 400 3HD2 LEU 52 3HD2 LEU 52 2.772 -7.295 -2.675 401 H TYR 53 H TYR 53 7.040 -7.131 -0.762 402 HA TYR 53 HA TYR 53 5.691 -9.635 -1.387 403 1HB TYR 53 1HB TYR 53 7.453 -7.918 -2.692 404 2HB TYR 53 2HB TYR 53 8.416 -9.326 -2.287 405 HD1 TYR 53 1HD TYR 53 6.971 -11.628 -2.726 406 HD2 TYR 53 2HD TYR 53 6.651 -7.903 -4.866 407 HE1 TYR 53 1HE TYR 53 6.197 -12.853 -4.734 408 HE2 TYR 53 2HE TYR 53 5.907 -9.146 -6.879 409 HH TYR 53 HH TYR 53 5.268 -11.067 -7.710 410 H GLN 54 H GLN 54 7.362 -8.466 1.170 411 HA GLN 54 HA GLN 54 9.461 -10.243 1.606 412 1HB GLN 54 1HB GLN 54 9.238 -9.623 3.950 413 2HB GLN 54 2HB GLN 54 9.114 -8.219 2.911 414 1HG GLN 54 1HG GLN 54 6.617 -8.388 3.102 415 2HG GLN 54 2HG GLN 54 6.844 -9.660 4.286 416 1HE2 GLN 54 2HE2 GLN 54 8.585 -6.587 3.736 417 2HE2 GLN 54 1HE2 GLN 54 8.350 -5.981 5.359 418 H GLU 55 H GLU 55 6.063 -10.410 2.632 419 HA GLU 55 HA GLU 55 6.430 -13.124 3.573 420 1HB GLU 55 1HB GLU 55 4.366 -11.064 3.799 421 2HB GLU 55 2HB GLU 55 3.779 -12.714 3.729 422 1HG GLU 55 1HG GLU 55 5.839 -12.898 5.520 423 2HG GLU 55 2HG GLU 55 5.173 -11.318 5.873 424 H ASP 56 H ASP 56 6.255 -11.909 0.629 425 HA ASP 56 HA ASP 56 5.947 -12.879 -1.407 426 1HB ASP 56 1HB ASP 56 6.297 -15.036 0.056 427 2HB ASP 56 2HB ASP 56 4.573 -15.233 -0.188 428 H GLN 57 H GLN 57 3.810 -14.345 -2.383 429 HA GLN 57 HA GLN 57 1.861 -12.376 -2.710 430 1HB GLN 57 1HB GLN 57 2.143 -15.217 -3.431 431 2HB GLN 57 2HB GLN 57 0.516 -14.569 -3.424 432 1HG GLN 57 1HG GLN 57 1.600 -14.408 -5.618 433 2HG GLN 57 2HG GLN 57 1.144 -12.848 -4.963 434 1HE2 GLN 57 2HE2 GLN 57 3.428 -14.291 -6.668 435 2HE2 GLN 57 1HE2 GLN 57 4.825 -13.343 -6.213 436 H VAL 58 H VAL 58 1.920 -15.233 -0.678 437 HA VAL 58 HA VAL 58 -0.525 -15.361 0.423 438 HB VAL 58 HB VAL 58 1.731 -15.294 2.339 439 1HG1 VAL 58 1HG1 VAL 58 -0.493 -16.081 2.996 440 2HG1 VAL 58 2HG1 VAL 58 -0.439 -17.292 1.667 441 3HG1 VAL 58 3HG1 VAL 58 0.714 -17.414 3.041 442 1HG2 VAL 58 1HG2 VAL 58 1.467 -17.379 0.146 443 2HG2 VAL 58 2HG2 VAL 58 2.803 -16.186 0.292 444 3HG2 VAL 58 3HG2 VAL 58 2.592 -17.457 1.546 445 H CYS 59 H CYS 59 1.882 -12.890 1.182 446 HA CYS 59 HA CYS 59 -0.277 -11.271 2.337 447 1HB CYS 59 1HB CYS 59 2.653 -11.246 2.847 448 2HB CYS 59 2HB CYS 59 1.502 -10.108 3.518 449 H VAL 60 H VAL 60 -0.591 -11.017 -0.110 450 HA VAL 60 HA VAL 60 0.867 -8.593 -0.933 451 HB VAL 60 HB VAL 60 0.405 -11.078 -2.399 452 1HG1 VAL 60 1HG1 VAL 60 -1.154 -9.674 -3.593 453 2HG1 VAL 60 2HG1 VAL 60 0.113 -8.413 -3.781 454 3HG1 VAL 60 3HG1 VAL 60 0.298 -10.003 -4.600 455 1HG2 VAL 60 1HG2 VAL 60 2.458 -8.882 -2.619 456 2HG2 VAL 60 2HG2 VAL 60 2.631 -10.438 -1.735 457 3HG2 VAL 60 3HG2 VAL 60 2.486 -10.433 -3.527 458 H CYS 61 H CYS 61 -2.076 -10.272 -0.448 459 HA CYS 61 HA CYS 61 -3.664 -8.086 -0.287 460 1HB CYS 61 1HB CYS 61 -3.066 -8.527 -3.019 461 2HB CYS 61 2HB CYS 61 -4.758 -8.886 -2.742 462 HA PRO 62 HA PRO 62 -5.768 -7.650 -0.582 463 1HB PRO 62 1HB PRO 62 -7.701 -7.477 1.324 464 2HB PRO 62 2HB PRO 62 -8.010 -7.792 -0.372 465 1HG PRO 62 1HG PRO 62 -8.118 -9.652 1.902 466 2HG PRO 62 2HG PRO 62 -8.832 -9.819 0.311 467 1HD PRO 62 1HD PRO 62 -6.453 -11.059 1.271 468 2HD PRO 62 2HD PRO 62 -7.113 -11.146 -0.350 469 H THR 63 H THR 63 -4.236 -9.488 1.630 470 HA THR 63 HA THR 63 -3.988 -8.290 4.022 471 HB THR 63 HB THR 63 -1.450 -8.878 2.637 472 HG1 THR 63 1HG THR 63 -2.046 -11.117 2.596 473 1HG2 THR 63 1HG2 THR 63 -1.593 -8.650 5.101 474 2HG2 THR 63 2HG2 THR 63 -2.795 -9.987 5.124 475 3HG2 THR 63 3HG2 THR 63 -1.103 -10.307 4.604 476 H LEU 64 H LEU 64 -2.323 -7.132 1.051 477 HA LEU 64 HA LEU 64 -1.029 -4.926 2.104 478 1HB LEU 64 1HB LEU 64 -1.647 -5.931 -0.414 479 2HB LEU 64 2HB LEU 64 -2.257 -4.288 -0.411 480 HG LEU 64 HG LEU 64 0.430 -4.630 0.706 481 1HD1 LEU 64 1HD1 LEU 64 0.510 -6.257 -1.082 482 2HD1 LEU 64 2HD1 LEU 64 -0.128 -5.026 -2.227 483 3HD1 LEU 64 3HD1 LEU 64 1.496 -4.811 -1.488 484 1HD2 LEU 64 1HD2 LEU 64 -0.716 -2.726 -1.359 485 2HD2 LEU 64 2HD2 LEU 64 -0.560 -2.400 0.403 486 3HD2 LEU 64 3HD2 LEU 64 0.914 -2.607 -0.608 487 H LYS 65 H LYS 65 -4.416 -5.094 1.025 488 HA LYS 65 HA LYS 65 -5.299 -2.571 1.502 489 1HB LYS 65 1HB LYS 65 -6.702 -4.426 0.663 490 2HB LYS 65 2HB LYS 65 -6.822 -5.022 2.306 491 1HG LYS 65 1HG LYS 65 -7.460 -2.195 2.106 492 2HG LYS 65 2HG LYS 65 -8.512 -3.189 1.119 493 1HD LYS 65 1HD LYS 65 -7.958 -4.057 3.918 494 2HD LYS 65 2HD LYS 65 -9.077 -2.735 3.662 495 1HE LYS 65 1HE LYS 65 -10.613 -4.073 2.544 496 2HE LYS 65 2HE LYS 65 -9.395 -5.234 2.054 497 1HZ LYS 65 1HZ LYS 65 -9.251 -5.966 4.317 498 2HZ LYS 65 2HZ LYS 65 -10.401 -4.869 4.779 499 3HZ LYS 65 3HZ LYS 65 -10.804 -6.109 3.759 500 H GLN 66 H GLN 66 -4.678 -5.030 3.995 501 HA GLN 66 HA GLN 66 -5.504 -3.603 6.220 502 1HB GLN 66 1HB GLN 66 -4.373 -6.010 5.857 503 2HB GLN 66 2HB GLN 66 -3.015 -5.127 6.524 504 1HG GLN 66 1HG GLN 66 -3.936 -5.045 8.578 505 2HG GLN 66 2HG GLN 66 -5.520 -4.649 7.946 506 1HE2 GLN 66 2HE2 GLN 66 -3.217 -7.384 8.072 507 2HE2 GLN 66 1HE2 GLN 66 -4.432 -8.625 8.271 508 H ALA 67 H ALA 67 -2.286 -3.531 4.665 509 HA ALA 67 HA ALA 67 -1.333 -1.440 6.358 510 1HB ALA 67 1HB ALA 67 0.167 -3.008 5.261 511 2HB ALA 67 2HB ALA 67 -0.404 -2.439 3.655 512 3HB ALA 67 3HB ALA 67 0.519 -1.330 4.726 513 H ALA 68 H ALA 68 -3.439 -1.455 3.638 514 HA ALA 68 HA ALA 68 -2.998 1.343 3.014 515 1HB ALA 68 1HB ALA 68 -3.353 -0.234 1.190 516 2HB ALA 68 2HB ALA 68 -4.928 -0.718 1.912 517 3HB ALA 68 3HB ALA 68 -4.706 0.948 1.272 518 H LYS 69 H LYS 69 -4.853 -0.489 5.206 519 HA LYS 69 HA LYS 69 -7.243 0.946 5.306 520 1HB LYS 69 1HB LYS 69 -5.743 -0.748 7.239 521 2HB LYS 69 2HB LYS 69 -7.147 0.146 7.785 522 1HG LYS 69 1HG LYS 69 -7.089 -1.842 5.519 523 2HG LYS 69 2HG LYS 69 -7.778 -2.113 7.107 524 1HD LYS 69 1HD LYS 69 -9.006 0.216 6.273 525 2HD LYS 69 2HD LYS 69 -8.915 -0.738 4.806 526 1HE LYS 69 1HE LYS 69 -10.092 -2.553 5.821 527 2HE LYS 69 2HE LYS 69 -9.977 -1.815 7.407 528 1HZ LYS 69 1HZ LYS 69 -11.354 -0.036 6.626 529 2HZ LYS 69 2HZ LYS 69 -11.462 -0.733 5.128 530 3HZ LYS 69 3HZ LYS 69 -12.128 -1.488 6.442 531 H SER 70 H SER 70 -4.426 1.269 7.454 532 HA SER 70 HA SER 70 -5.218 4.064 7.963 533 1HB SER 70 1HB SER 70 -4.362 2.075 9.675 534 2HB SER 70 2HB SER 70 -2.943 3.079 9.462 535 HG SER 70 HG SER 70 -4.281 3.807 11.178 536 H VAL 71 H VAL 71 -4.087 3.243 5.425 537 HA VAL 71 HA VAL 71 -1.369 3.758 5.188 538 HB VAL 71 HB VAL 71 -3.331 3.255 3.467 539 1HG1 VAL 71 1HG1 VAL 71 -4.282 5.469 3.481 540 2HG1 VAL 71 2HG1 VAL 71 -2.695 6.162 2.997 541 3HG1 VAL 71 3HG1 VAL 71 -3.589 5.088 1.866 542 1HG2 VAL 71 1HG2 VAL 71 -0.709 4.512 2.702 543 2HG2 VAL 71 2HG2 VAL 71 -1.019 2.769 3.017 544 3HG2 VAL 71 3HG2 VAL 71 -1.791 3.579 1.610 545 H ARG 72 H ARG 72 -3.943 5.971 5.965 546 HA ARG 72 HA ARG 72 -1.924 8.063 6.297 547 1HB ARG 72 1HB ARG 72 -4.130 8.053 4.477 548 2HB ARG 72 2HB ARG 72 -4.310 9.339 5.651 549 1HG ARG 72 1HG ARG 72 -1.617 9.288 4.747 550 2HG ARG 72 2HG ARG 72 -2.685 9.298 3.359 551 1HD ARG 72 1HD ARG 72 -2.707 11.532 3.695 552 2HD ARG 72 2HD ARG 72 -3.890 11.143 4.930 553 HE ARG 72 HE ARG 72 -1.403 10.922 6.161 554 1HH1 ARG 72 1HH2 ARG 72 -3.267 13.462 4.652 555 2HH1 ARG 72 2HH2 ARG 72 -2.522 14.724 5.608 556 1HH2 ARG 72 1HH1 ARG 72 -0.448 12.565 7.360 557 2HH2 ARG 72 2HH1 ARG 72 -0.950 14.224 7.118 558 H VAL 73 H VAL 73 -5.224 6.989 7.008 559 HA VAL 73 HA VAL 73 -5.951 8.686 9.020 560 HB VAL 73 HB VAL 73 -6.424 5.728 8.800 561 1HG1 VAL 73 1HG1 VAL 73 -6.748 6.412 11.127 562 2HG1 VAL 73 2HG1 VAL 73 -7.824 7.744 10.579 563 3HG1 VAL 73 3HG1 VAL 73 -8.319 6.033 10.342 564 1HG2 VAL 73 1HG2 VAL 73 -8.165 8.107 8.072 565 2HG2 VAL 73 2HG2 VAL 73 -7.310 7.029 6.915 566 3HG2 VAL 73 3HG2 VAL 73 -8.642 6.380 7.934 567 H GLN 74 H GLN 74 -5.498 9.035 11.097 568 HA GLN 74 HA GLN 74 -3.804 7.173 12.554 569 1HB GLN 74 1HB GLN 74 -2.495 9.050 11.094 570 2HB GLN 74 2HB GLN 74 -2.676 9.877 12.627 571 1HG GLN 74 1HG GLN 74 -1.927 7.337 13.391 572 2HG GLN 74 2HG GLN 74 -0.987 7.595 11.936 573 1HE2 GLN 74 2HE2 GLN 74 0.665 9.105 11.902 574 2HE2 GLN 74 1HE2 GLN 74 1.199 9.955 13.336 575 H GLY 75 H GLY 75 -6.517 8.475 12.647 576 1HA GLY 75 1HA GLY 75 -6.881 8.642 15.373 577 2HA GLY 75 2HA GLY 75 -6.486 10.276 14.878 578 H GLN 76 H GLN 76 -7.656 10.448 12.388 579 HA GLN 76 HA GLN 76 -10.272 9.466 12.149 580 1HB GLN 76 1HB GLN 76 -9.998 11.806 13.910 581 2HB GLN 76 2HB GLN 76 -11.224 11.945 12.665 582 1HG GLN 76 1HG GLN 76 -12.602 10.653 13.859 583 2HG GLN 76 2HG GLN 76 -11.431 9.350 13.816 584 1HE2 GLN 76 2HE2 GLN 76 -12.174 8.699 15.912 585 2HE2 GLN 76 1HE2 GLN 76 -11.637 9.556 17.340 586 H HIS 77 H HIS 77 -10.700 9.624 10.067 587 HA HIS 77 HA HIS 77 -9.705 12.011 8.636 588 1HB HIS 77 1HB HIS 77 -8.502 9.782 8.256 589 2HB HIS 77 2HB HIS 77 -9.932 9.328 7.352 590 HD1 HIS 77 1HD HIS 77 -7.530 12.342 7.366 591 HD2 HIS 77 2HD HIS 77 -9.758 9.857 4.769 592 HE1 HIS 77 1HE HIS 77 -7.015 13.140 4.973 593 HE2 HIS 77 2HE HIS 77 -8.350 11.615 3.400 594 H GLY 78 H GLY 78 -11.105 10.422 6.316 595 1HA GLY 78 1HA GLY 78 -13.832 10.333 6.723 596 2HA GLY 78 2HA GLY 78 -13.466 11.991 6.287 597 HA PRO 79 HA PRO 79 -13.982 9.651 2.407 598 1HB PRO 79 1HB PRO 79 -15.628 11.501 1.200 599 2HB PRO 79 2HB PRO 79 -16.180 10.094 2.084 600 1HG PRO 79 1HG PRO 79 -16.246 12.922 2.894 601 2HG PRO 79 2HG PRO 79 -17.141 11.570 3.558 602 1HD PRO 79 1HD PRO 79 -14.842 12.821 4.672 603 2HD PRO 79 2HD PRO 79 -15.670 11.400 5.275 604 H PHE 80 H PHE 80 -11.901 9.925 1.708 605 HA PHE 80 HA PHE 80 -11.377 11.895 -0.259 606 1HB PHE 80 1HB PHE 80 -11.181 12.939 2.284 607 2HB PHE 80 2HB PHE 80 -9.530 12.458 1.945 608 HD1 PHE 80 1HD PHE 80 -8.159 14.113 1.170 609 HD2 PHE 80 2HD PHE 80 -12.329 14.154 0.095 610 HE1 PHE 80 1HE PHE 80 -7.813 16.206 -0.123 611 HE2 PHE 80 2HE PHE 80 -11.983 16.243 -1.196 612 HZ PHE 80 HZ PHE 80 -9.720 17.282 -1.310 613 H GLN 81 H GLN 81 -9.860 10.037 2.369 614 HA GLN 81 HA GLN 81 -7.391 9.533 1.214 615 1HB GLN 81 1HB GLN 81 -8.907 8.465 3.397 616 2HB GLN 81 2HB GLN 81 -8.106 7.172 2.526 617 1HG GLN 81 1HG GLN 81 -5.981 8.396 2.684 618 2HG GLN 81 2HG GLN 81 -6.788 9.668 3.579 619 1HE2 GLN 81 2HE2 GLN 81 -6.764 6.049 3.678 620 2HE2 GLN 81 1HE2 GLN 81 -6.521 5.969 5.408 621 H SER 82 H SER 82 -9.885 6.950 1.359 622 HA SER 82 HA SER 82 -8.861 5.288 -0.552 623 1HB SER 82 1HB SER 82 -11.796 5.837 -0.348 624 2HB SER 82 2HB SER 82 -11.006 4.332 -0.773 625 HG SER 82 HG SER 82 -11.745 4.348 1.408 626 H THR 83 H THR 83 -11.081 8.005 -1.092 627 HA THR 83 HA THR 83 -11.532 7.928 -3.752 628 HB THR 83 HB THR 83 -11.296 10.042 -1.797 629 HG1 THR 83 1HG THR 83 -13.194 10.592 -2.966 630 1HG2 THR 83 1HG2 THR 83 -9.749 11.055 -3.467 631 2HG2 THR 83 2HG2 THR 83 -11.006 10.798 -4.726 632 3HG2 THR 83 3HG2 THR 83 -11.319 11.924 -3.361 633 H ARG 84 H ARG 84 -8.418 8.752 -2.328 634 HA ARG 84 HA ARG 84 -7.219 8.687 -4.998 635 1HB ARG 84 1HB ARG 84 -7.047 10.604 -3.060 636 2HB ARG 84 2HB ARG 84 -5.590 9.664 -2.803 637 1HG ARG 84 1HG ARG 84 -4.650 10.464 -4.673 638 2HG ARG 84 2HG ARG 84 -6.079 10.100 -5.618 639 1HD ARG 84 1HD ARG 84 -7.037 12.174 -5.202 640 2HD ARG 84 2HD ARG 84 -6.045 12.452 -3.784 641 HE ARG 84 HE ARG 84 -4.399 12.238 -6.106 642 1HH1 ARG 84 1HH2 ARG 84 -6.574 14.461 -4.507 643 2HH1 ARG 84 2HH2 ARG 84 -5.822 15.872 -5.215 644 1HH2 ARG 84 1HH1 ARG 84 -3.463 14.080 -7.010 645 2HH2 ARG 84 2HH1 ARG 84 -4.094 15.660 -6.605 646 H ILE 85 H ILE 85 -6.613 7.701 -1.639 647 HA ILE 85 HA ILE 85 -4.370 6.229 -1.828 648 HB ILE 85 HB ILE 85 -6.832 5.570 -0.261 649 1HG1 ILE 85 1HG1 ILE 85 -5.987 7.729 0.295 650 2HG1 ILE 85 2HG1 ILE 85 -5.594 6.620 1.594 651 1HG2 ILE 85 1HG2 ILE 85 -5.459 3.565 -0.490 652 2HG2 ILE 85 2HG2 ILE 85 -4.016 4.491 0.054 653 3HG2 ILE 85 3HG2 ILE 85 -5.379 4.201 1.190 654 1HD1 ILE 85 1HD1 ILE 85 -3.299 6.418 0.758 655 2HD1 ILE 85 2HD1 ILE 85 -3.701 7.556 -0.574 656 3HD1 ILE 85 3HD1 ILE 85 -3.725 8.124 1.131 657 H TYR 86 H TYR 86 -7.646 4.913 -2.344 658 HA TYR 86 HA TYR 86 -6.745 2.482 -3.519 659 1HB TYR 86 1HB TYR 86 -9.281 3.978 -3.236 660 2HB TYR 86 2HB TYR 86 -9.202 2.682 -4.414 661 HD1 TYR 86 1HD TYR 86 -10.166 0.742 -3.740 662 HD2 TYR 86 2HD TYR 86 -8.073 3.184 -0.865 663 HE1 TYR 86 1HE TYR 86 -10.644 -0.935 -1.959 664 HE2 TYR 86 2HE TYR 86 -8.538 1.503 0.904 665 HH TYR 86 HH TYR 86 -9.494 -0.424 1.395 666 H GLN 87 H GLN 87 -8.010 5.548 -4.944 667 HA GLN 87 HA GLN 87 -7.923 4.777 -7.617 668 1HB GLN 87 1HB GLN 87 -8.120 7.200 -6.141 669 2HB GLN 87 2HB GLN 87 -6.980 7.440 -7.449 670 1HG GLN 87 1HG GLN 87 -8.537 7.105 -9.062 671 2HG GLN 87 2HG GLN 87 -9.489 6.021 -8.067 672 1HE2 GLN 87 2HE2 GLN 87 -11.430 6.786 -7.350 673 2HE2 GLN 87 1HE2 GLN 87 -11.821 8.483 -7.192 674 H ILE 88 H ILE 88 -5.250 5.130 -5.509 675 HA ILE 88 HA ILE 88 -3.391 5.078 -7.794 676 HB ILE 88 HB ILE 88 -3.109 6.167 -5.011 677 1HG1 ILE 88 1HG1 ILE 88 -2.396 7.685 -7.462 678 2HG1 ILE 88 2HG1 ILE 88 -4.099 7.442 -7.127 679 1HG2 ILE 88 1HG2 ILE 88 -1.084 4.907 -5.567 680 2HG2 ILE 88 2HG2 ILE 88 -0.967 5.797 -7.125 681 3HG2 ILE 88 3HG2 ILE 88 -0.762 6.676 -5.570 682 1HD1 ILE 88 1HD1 ILE 88 -3.813 8.387 -4.863 683 2HD1 ILE 88 2HD1 ILE 88 -2.065 8.637 -5.206 684 3HD1 ILE 88 3HD1 ILE 88 -3.303 9.556 -6.130 685 H ALA 89 H ALA 89 -4.344 3.620 -4.723 686 HA ALA 89 HA ALA 89 -2.305 1.616 -4.826 687 1HB ALA 89 1HB ALA 89 -3.170 2.361 -2.682 688 2HB ALA 89 2HB ALA 89 -4.820 1.824 -3.153 689 3HB ALA 89 3HB ALA 89 -3.512 0.612 -2.920 690 H LYS 90 H LYS 90 -4.971 2.114 -6.678 691 HA LYS 90 HA LYS 90 -5.951 -0.560 -6.906 692 1HB LYS 90 1HB LYS 90 -7.289 0.318 -8.730 693 2HB LYS 90 2HB LYS 90 -7.399 1.341 -7.311 694 1HG LYS 90 1HG LYS 90 -7.017 3.010 -8.780 695 2HG LYS 90 2HG LYS 90 -5.342 2.520 -8.622 696 1HD LYS 90 1HD LYS 90 -5.311 1.478 -10.673 697 2HD LYS 90 2HD LYS 90 -7.018 1.088 -10.619 698 1HE LYS 90 1HE LYS 90 -6.388 2.828 -12.318 699 2HE LYS 90 2HE LYS 90 -7.631 3.322 -11.185 700 1HZ LYS 90 1HZ LYS 90 -5.978 4.466 -9.949 701 2HZ LYS 90 2HZ LYS 90 -4.806 4.000 -11.020 702 3HZ LYS 90 3HZ LYS 90 -6.022 5.010 -11.512 703 H ASN 91 H ASN 91 -3.743 1.520 -8.682 704 HA ASN 91 HA ASN 91 -2.973 -0.737 -10.379 705 1HB ASN 91 1HB ASN 91 -1.617 1.061 -11.552 706 2HB ASN 91 2HB ASN 91 -3.361 1.157 -11.698 707 1HD2 ASN 91 2HD2 ASN 91 -3.720 3.287 -11.924 708 2HD2 ASN 91 1HD2 ASN 91 -3.231 4.494 -10.757 709 H LEU 92 H LEU 92 -2.296 -0.431 -7.472 710 HA LEU 92 HA LEU 92 0.521 0.061 -7.364 711 1HB LEU 92 1HB LEU 92 -1.597 -0.580 -5.559 712 2HB LEU 92 2HB LEU 92 -0.216 -1.614 -5.252 713 HG LEU 92 HG LEU 92 0.011 1.353 -5.468 714 1HD1 LEU 92 1HD1 LEU 92 -1.576 0.873 -3.664 715 2HD1 LEU 92 2HD1 LEU 92 -0.412 -0.300 -2.958 716 3HD1 LEU 92 3HD1 LEU 92 -0.009 1.451 -3.001 717 1HD2 LEU 92 1HD2 LEU 92 1.794 -0.779 -4.248 718 2HD2 LEU 92 2HD2 LEU 92 2.084 0.092 -5.794 719 3HD2 LEU 92 3HD2 LEU 92 2.122 0.989 -4.235 720 HA PRO 93 HA PRO 93 0.917 -4.661 -7.568 721 1HB PRO 93 1HB PRO 93 -1.275 -6.152 -8.305 722 2HB PRO 93 2HB PRO 93 -0.758 -5.891 -6.651 723 1HG PRO 93 1HG PRO 93 -3.066 -4.735 -8.067 724 2HG PRO 93 2HG PRO 93 -2.767 -4.822 -6.343 725 1HD PRO 93 1HD PRO 93 -2.429 -2.573 -8.046 726 2HD PRO 93 2HD PRO 93 -2.059 -2.682 -6.337 727 H ASN 94 H ASN 94 -0.536 -2.611 -9.792 728 HA ASN 94 HA ASN 94 -0.249 -4.263 -12.140 729 1HB ASN 94 1HB ASN 94 -0.806 -1.386 -11.578 730 2HB ASN 94 2HB ASN 94 -0.382 -1.889 -13.202 731 1HD2 ASN 94 2HD2 ASN 94 -2.848 -0.722 -12.334 732 2HD2 ASN 94 1HD2 ASN 94 -4.107 -1.897 -12.641 733 H VAL 95 H VAL 95 1.628 -1.780 -10.475 734 HA VAL 95 HA VAL 95 3.820 -2.128 -12.417 735 HB VAL 95 HB VAL 95 3.572 -0.091 -10.230 736 1HG1 VAL 95 1HG1 VAL 95 5.868 -0.433 -11.036 737 2HG1 VAL 95 2HG1 VAL 95 5.301 -0.184 -12.724 738 3HG1 VAL 95 3HG1 VAL 95 5.235 1.171 -11.545 739 1HG2 VAL 95 1HG2 VAL 95 2.806 0.146 -13.165 740 2HG2 VAL 95 2HG2 VAL 95 1.668 0.137 -11.773 741 3HG2 VAL 95 3HG2 VAL 95 2.825 1.497 -11.978 742 H CYS 96 H CYS 96 2.775 -3.282 -9.467 743 HA CYS 96 HA CYS 96 5.505 -4.158 -8.804 744 1HB CYS 96 1HB CYS 96 3.446 -2.946 -7.098 745 2HB CYS 96 2HB CYS 96 4.252 -4.350 -6.430 746 H ASN 97 H ASN 97 3.925 -5.511 -10.660 747 HA ASN 97 HA ASN 97 2.132 -7.386 -10.060 748 1HB ASN 97 1HB ASN 97 4.605 -7.499 -11.673 749 2HB ASN 97 2HB ASN 97 3.805 -9.021 -11.339 750 1HD2 ASN 97 2HD2 ASN 97 3.143 -5.721 -12.439 751 2HD2 ASN 97 1HD2 ASN 97 1.912 -6.166 -13.599 752 H MET 98 H MET 98 1.840 -8.309 -8.180 753 HA MET 98 HA MET 98 3.975 -10.000 -7.138 754 1HB MET 98 1HB MET 98 3.577 -9.226 -4.828 755 2HB MET 98 2HB MET 98 4.311 -8.007 -5.851 756 1HG MET 98 1HG MET 98 1.651 -7.534 -6.204 757 2HG MET 98 2HG MET 98 1.723 -8.016 -4.522 758 1HE MET 98 1HE MET 98 0.635 -5.291 -4.947 759 2HE MET 98 2HE MET 98 1.125 -5.912 -3.332 760 3HE MET 98 3HE MET 98 1.647 -4.275 -3.861 761 H LYS 99 H LYS 99 1.096 -10.017 -8.386 762 HA LYS 99 HA LYS 99 0.230 -12.240 -6.726 763 1HB LYS 99 1HB LYS 99 -1.048 -10.676 -5.636 764 2HB LYS 99 2HB LYS 99 -1.226 -9.673 -7.062 765 1HG LYS 99 1HG LYS 99 -2.471 -12.079 -7.703 766 2HG LYS 99 2HG LYS 99 -2.957 -11.734 -6.056 767 1HD LYS 99 1HD LYS 99 -4.542 -10.721 -7.541 768 2HD LYS 99 2HD LYS 99 -3.602 -9.451 -6.784 769 1HE LYS 99 1HE LYS 99 -2.134 -9.450 -8.824 770 2HE LYS 99 2HE LYS 99 -3.283 -10.539 -9.573 771 1HZ LYS 99 1HZ LYS 99 -4.957 -8.889 -9.291 772 2HZ LYS 99 2HZ LYS 99 -3.870 -7.860 -8.584 773 3HZ LYS 99 3HZ LYS 99 -3.690 -8.290 -10.173 774 H GLN 100 H GLN 100 0.662 -13.677 -8.307 775 HA GLN 100 HA GLN 100 -0.516 -13.160 -10.949 776 1HB GLN 100 1HB GLN 100 1.901 -14.141 -10.312 777 2HB GLN 100 2HB GLN 100 1.004 -15.631 -10.520 778 1HG GLN 100 1HG GLN 100 1.021 -13.385 -12.529 779 2HG GLN 100 2HG GLN 100 2.077 -14.780 -12.618 780 1HE2 GLN 100 2HE2 GLN 100 -1.174 -13.579 -12.990 781 2HE2 GLN 100 1HE2 GLN 100 -1.847 -15.014 -13.733 782 H ILE 101 H ILE 101 -2.495 -13.428 -9.190 783 HA ILE 101 HA ILE 101 -3.719 -15.949 -9.968 784 HB ILE 101 HB ILE 101 -2.821 -16.802 -8.038 785 1HG1 ILE 101 1HG1 ILE 101 -5.263 -15.867 -6.678 786 2HG1 ILE 101 2HG1 ILE 101 -5.474 -16.654 -8.229 787 1HG2 ILE 101 1HG2 ILE 101 -1.823 -14.784 -7.083 788 2HG2 ILE 101 2HG2 ILE 101 -3.450 -14.227 -6.561 789 3HG2 ILE 101 3HG2 ILE 101 -2.729 -15.702 -5.830 790 1HD1 ILE 101 1HD1 ILE 101 -4.203 -18.616 -7.432 791 2HD1 ILE 101 2HD1 ILE 101 -3.987 -17.809 -5.841 792 3HD1 ILE 101 3HD1 ILE 101 -5.630 -18.288 -6.388 793 H GLY 102 H GLY 102 -4.475 -13.567 -7.418 794 1HA GLY 102 1HA GLY 102 -6.063 -11.754 -8.414 795 2HA GLY 102 2HA GLY 102 -7.060 -13.150 -8.770 796 H THR 103 H THR 103 -5.311 -11.608 -6.100 797 HA THR 103 HA THR 103 -7.068 -12.889 -4.136 798 HB THR 103 HB THR 103 -5.062 -10.997 -3.143 799 HG1 THR 103 1HG THR 103 -3.344 -12.416 -3.775 800 1HG2 THR 103 1HG2 THR 103 -6.155 -12.778 -1.741 801 2HG2 THR 103 2HG2 THR 103 -5.397 -14.008 -2.811 802 3HG2 THR 103 3HG2 THR 103 -4.366 -12.936 -1.801 803 H CYS 104 H CYS 104 -5.942 -9.561 -4.860 804 HA CYS 104 HA CYS 104 -8.660 -8.641 -4.146 805 1HB CYS 104 1HB CYS 104 -7.811 -6.725 -3.120 806 2HB CYS 104 2HB CYS 104 -6.857 -8.061 -2.505 807 HA PRO 105 HA PRO 105 -7.608 -7.542 -8.493 808 1HB PRO 105 1HB PRO 105 -9.804 -8.687 -9.692 809 2HB PRO 105 2HB PRO 105 -8.237 -9.452 -9.531 810 1HG PRO 105 1HG PRO 105 -10.726 -10.015 -8.066 811 2HG PRO 105 2HG PRO 105 -9.301 -11.019 -8.237 812 1HD PRO 105 1HD PRO 105 -10.042 -9.452 -5.989 813 2HD PRO 105 2HD PRO 105 -8.567 -10.375 -6.201 814 H PHE 106 H PHE 106 -8.427 -5.724 -6.754 815 HA PHE 106 HA PHE 106 -11.037 -4.661 -7.520 816 1HB PHE 106 1HB PHE 106 -10.924 -3.457 -5.575 817 2HB PHE 106 2HB PHE 106 -9.974 -4.864 -5.144 818 HD1 PHE 106 1HD PHE 106 -7.579 -4.719 -4.756 819 HD2 PHE 106 2HD PHE 106 -9.856 -1.272 -5.988 820 HE1 PHE 106 1HE PHE 106 -5.647 -3.249 -4.212 821 HE2 PHE 106 2HE PHE 106 -7.914 0.188 -5.482 822 HZ PHE 106 HZ PHE 106 -5.857 -0.787 -4.480 823 H ILE 107 H ILE 107 -11.204 -3.206 -9.132 824 HA ILE 107 HA ILE 107 -9.393 -1.019 -9.380 825 HB ILE 107 HB ILE 107 -8.774 -1.701 -11.808 826 1HG1 ILE 107 1HG1 ILE 107 -8.567 -4.463 -10.731 827 2HG1 ILE 107 2HG1 ILE 107 -10.096 -3.938 -11.405 828 1HG2 ILE 107 1HG2 ILE 107 -7.119 -1.170 -10.097 829 2HG2 ILE 107 2HG2 ILE 107 -7.284 -2.827 -9.420 830 3HG2 ILE 107 3HG2 ILE 107 -6.594 -2.593 -11.064 831 1HD1 ILE 107 1HD1 ILE 107 -8.976 -3.307 -13.514 832 2HD1 ILE 107 2HD1 ILE 107 -7.407 -3.846 -12.823 833 3HD1 ILE 107 3HD1 ILE 107 -8.714 -5.043 -13.125 834 H ALA 108 H ALA 108 -10.504 0.577 -10.213 835 HA ALA 108 HA ALA 108 -12.105 0.807 -12.353 836 1HB ALA 108 1HB ALA 108 -13.486 -1.089 -11.638 837 2HB ALA 108 2HB ALA 108 -13.823 -0.255 -10.082 838 3HB ALA 108 3HB ALA 108 -14.443 0.433 -11.624 839 H ILE 109 H ILE 109 -11.693 1.460 -8.996 840 HA ILE 109 HA ILE 109 -13.050 3.983 -9.073 841 HB ILE 109 HB ILE 109 -12.581 4.215 -6.829 842 1HG1 ILE 109 1HG1 ILE 109 -10.141 3.789 -7.025 843 2HG1 ILE 109 2HG1 ILE 109 -10.893 3.131 -5.587 844 1HG2 ILE 109 1HG2 ILE 109 -14.206 2.438 -7.269 845 2HG2 ILE 109 2HG2 ILE 109 -12.876 1.235 -7.368 846 3HG2 ILE 109 3HG2 ILE 109 -13.239 2.051 -5.806 847 1HD1 ILE 109 1HD1 ILE 109 -10.969 0.888 -6.623 848 2HD1 ILE 109 2HD1 ILE 109 -10.197 1.563 -8.100 849 3HD1 ILE 109 3HD1 ILE 109 -9.289 1.524 -6.548 Start of MODEL 8 1 1H GLN 1 1H GLN 1 2.193 -16.450 6.441 2 2H GLN 1 2H GLN 1 2.433 -18.037 6.034 3 3H GLN 1 3H GLN 1 3.732 -17.048 6.306 4 HA GLN 1 HA GLN 1 3.166 -15.718 4.427 5 1HB GLN 1 1HB GLN 1 3.716 -18.608 4.071 6 2HB GLN 1 2HB GLN 1 3.388 -17.627 2.655 7 1HG GLN 1 1HG GLN 1 5.516 -16.986 2.680 8 2HG GLN 1 2HG GLN 1 5.201 -16.154 4.190 9 1HE2 GLN 1 2HE2 GLN 1 6.984 -16.555 5.409 10 2HE2 GLN 1 1HE2 GLN 1 7.538 -18.164 5.814 11 HA PRO 2 HA PRO 2 -0.672 -17.595 2.419 12 1HB PRO 2 1HB PRO 2 -2.201 -19.437 3.807 13 2HB PRO 2 2HB PRO 2 -1.051 -19.806 2.538 14 1HG PRO 2 1HG PRO 2 -0.801 -20.207 5.425 15 2HG PRO 2 2HG PRO 2 0.124 -20.931 4.125 16 1HD PRO 2 1HD PRO 2 0.926 -18.817 5.825 17 2HD PRO 2 2HD PRO 2 1.793 -19.453 4.442 18 H GLN 3 H GLN 3 -3.389 -17.895 3.430 19 HA GLN 3 HA GLN 3 -4.084 -15.381 4.449 20 1HB GLN 3 1HB GLN 3 -5.382 -17.680 3.772 21 2HB GLN 3 2HB GLN 3 -5.675 -17.593 5.498 22 1HG GLN 3 1HG GLN 3 -7.303 -16.112 5.095 23 2HG GLN 3 2HG GLN 3 -6.091 -14.994 4.505 24 1HE2 GLN 3 2HE2 GLN 3 -7.776 -17.955 3.388 25 2HE2 GLN 3 1HE2 GLN 3 -8.057 -17.380 1.760 26 H LYS 4 H LYS 4 -2.894 -18.164 6.308 27 HA LYS 4 HA LYS 4 -3.430 -17.086 8.883 28 1HB LYS 4 1HB LYS 4 -2.345 -19.392 7.856 29 2HB LYS 4 2HB LYS 4 -1.016 -18.671 8.740 30 1HG LYS 4 1HG LYS 4 -3.644 -18.667 10.100 31 2HG LYS 4 2HG LYS 4 -2.875 -20.229 9.909 32 1HD LYS 4 1HD LYS 4 -0.922 -19.495 11.090 33 2HD LYS 4 2HD LYS 4 -1.477 -17.834 11.088 34 1HE LYS 4 1HE LYS 4 -3.433 -18.565 12.465 35 2HE LYS 4 2HE LYS 4 -2.695 -20.149 12.578 36 1HZ LYS 4 1HZ LYS 4 -0.785 -19.133 13.600 37 2HZ LYS 4 2HZ LYS 4 -1.483 -17.636 13.493 38 3HZ LYS 4 3HZ LYS 4 -2.151 -18.792 14.471 39 H CYS 5 H CYS 5 -1.210 -16.028 6.545 40 HA CYS 5 HA CYS 5 0.468 -14.453 8.290 41 1HB CYS 5 1HB CYS 5 1.646 -13.971 6.478 42 2HB CYS 5 2HB CYS 5 0.746 -15.290 5.756 43 H GLN 6 H GLN 6 -2.661 -13.900 6.600 44 HA GLN 6 HA GLN 6 -2.639 -11.125 6.479 45 1HB GLN 6 1HB GLN 6 -4.592 -13.205 6.573 46 2HB GLN 6 2HB GLN 6 -5.160 -11.819 7.483 47 1HG GLN 6 1HG GLN 6 -4.063 -10.948 4.995 48 2HG GLN 6 2HG GLN 6 -5.247 -12.206 4.712 49 1HE2 GLN 6 2HE2 GLN 6 -4.731 -8.945 5.896 50 2HE2 GLN 6 1HE2 GLN 6 -6.422 -8.538 6.083 51 H ARG 7 H ARG 7 -2.969 -13.098 9.319 52 HA ARG 7 HA ARG 7 -3.205 -10.839 11.123 53 1HB ARG 7 1HB ARG 7 -3.875 -13.527 11.235 54 2HB ARG 7 2HB ARG 7 -2.553 -13.347 12.371 55 1HG ARG 7 1HG ARG 7 -3.675 -11.651 13.573 56 2HG ARG 7 2HG ARG 7 -4.828 -11.388 12.280 57 1HD ARG 7 1HD ARG 7 -6.133 -13.129 12.913 58 2HD ARG 7 2HD ARG 7 -4.759 -14.125 13.353 59 HE ARG 7 HE ARG 7 -5.113 -13.539 15.523 60 1HH1 ARG 7 1HH2 ARG 7 -6.461 -10.967 13.553 61 2HH1 ARG 7 2HH2 ARG 7 -6.972 -10.049 14.952 62 1HH2 ARG 7 1HH1 ARG 7 -5.750 -12.297 17.255 63 2HH2 ARG 7 2HH1 ARG 7 -6.579 -10.781 16.987 64 H GLU 8 H GLU 8 -0.668 -13.286 10.433 65 HA GLU 8 HA GLU 8 1.295 -12.271 12.174 66 1HB GLU 8 1HB GLU 8 1.085 -14.260 10.163 67 2HB GLU 8 2HB GLU 8 2.598 -13.399 9.964 68 1HG GLU 8 1HG GLU 8 1.916 -14.089 12.740 69 2HG GLU 8 2HG GLU 8 2.242 -15.456 11.694 70 H PHE 9 H PHE 9 0.406 -11.195 9.021 71 HA PHE 9 HA PHE 9 2.579 -9.460 8.392 72 1HB PHE 9 1HB PHE 9 1.259 -10.073 6.578 73 2HB PHE 9 2HB PHE 9 -0.229 -9.941 7.493 74 HD1 PHE 9 1HD PHE 9 -1.160 -7.594 8.007 75 HD2 PHE 9 2HD PHE 9 1.874 -8.409 5.069 76 HE1 PHE 9 1HE PHE 9 -1.263 -5.234 7.253 77 HE2 PHE 9 2HE PHE 9 1.396 -6.231 4.016 78 HZ PHE 9 HZ PHE 9 -0.026 -4.570 5.203 79 H GLN 10 H GLN 10 -0.580 -9.092 10.046 80 HA GLN 10 HA GLN 10 0.060 -6.252 10.496 81 1HB GLN 10 1HB GLN 10 -2.317 -7.496 9.909 82 2HB GLN 10 2HB GLN 10 -2.443 -7.166 11.626 83 1HG GLN 10 1HG GLN 10 -1.343 -4.846 10.669 84 2HG GLN 10 2HG GLN 10 -2.408 -5.311 9.359 85 1HE2 GLN 10 2HE2 GLN 10 -2.637 -2.989 11.134 86 2HE2 GLN 10 1HE2 GLN 10 -4.203 -3.145 11.896 87 H GLN 11 H GLN 11 0.615 -9.103 12.042 88 HA GLN 11 HA GLN 11 -0.019 -8.596 14.733 89 1HB GLN 11 1HB GLN 11 1.044 -10.660 13.296 90 2HB GLN 11 2HB GLN 11 2.431 -10.115 14.218 91 1HG GLN 11 1HG GLN 11 0.162 -10.203 15.933 92 2HG GLN 11 2HG GLN 11 0.288 -11.730 15.083 93 1HE2 GLN 11 2HE2 GLN 11 2.643 -12.648 15.044 94 2HE2 GLN 11 1HE2 GLN 11 3.453 -12.585 16.592 95 H GLU 12 H GLU 12 3.030 -8.191 12.975 96 HA GLU 12 HA GLU 12 3.765 -5.802 14.343 97 1HB GLU 12 1HB GLU 12 5.803 -6.954 15.469 98 2HB GLU 12 2HB GLU 12 4.253 -6.832 16.276 99 1HG GLU 12 1HG GLU 12 3.761 -9.147 15.746 100 2HG GLU 12 2HG GLU 12 5.259 -9.282 14.847 101 H GLN 13 H GLN 13 3.611 -7.019 11.657 102 HA GLN 13 HA GLN 13 6.216 -6.118 10.744 103 1HB GLN 13 1HB GLN 13 5.989 -8.779 11.232 104 2HB GLN 13 2HB GLN 13 5.597 -8.696 9.525 105 1HG GLN 13 1HG GLN 13 7.667 -7.019 9.534 106 2HG GLN 13 2HG GLN 13 8.117 -7.981 10.928 107 1HE2 GLN 13 2HE2 GLN 13 9.883 -9.043 10.103 108 2HE2 GLN 13 1HE2 GLN 13 9.807 -10.098 8.709 109 H HIS 14 H HIS 14 4.001 -4.737 10.444 110 HA HIS 14 HA HIS 14 2.570 -5.436 8.041 111 1HB HIS 14 1HB HIS 14 2.317 -2.675 8.889 112 2HB HIS 14 2HB HIS 14 1.086 -3.891 8.616 113 HD1 HIS 14 1HD HIS 14 1.276 -1.734 11.093 114 HD2 HIS 14 2HD HIS 14 2.164 -5.844 11.102 115 HE1 HIS 14 1HE HIS 14 1.051 -2.536 13.538 116 HE2 HIS 14 2HE HIS 14 1.608 -5.038 13.523 117 H LEU 15 H LEU 15 2.401 -2.929 6.754 118 HA LEU 15 HA LEU 15 5.127 -2.800 5.646 119 1HB LEU 15 1HB LEU 15 2.712 -2.022 4.103 120 2HB LEU 15 2HB LEU 15 4.295 -2.497 3.521 121 HG LEU 15 HG LEU 15 2.126 -4.208 4.621 122 1HD1 LEU 15 1HD1 LEU 15 1.855 -3.668 2.313 123 2HD1 LEU 15 2HD1 LEU 15 3.535 -4.209 1.964 124 3HD1 LEU 15 3HD1 LEU 15 2.295 -5.402 2.484 125 1HD2 LEU 15 1HD2 LEU 15 4.927 -5.190 4.062 126 2HD2 LEU 15 2HD2 LEU 15 4.110 -5.122 5.661 127 3HD2 LEU 15 3HD2 LEU 15 3.494 -6.226 4.384 128 H ARG 16 H ARG 16 5.562 -0.693 4.560 129 HA ARG 16 HA ARG 16 4.437 1.645 5.899 130 1HB ARG 16 1HB ARG 16 7.367 0.998 5.977 131 2HB ARG 16 2HB ARG 16 6.664 2.543 6.412 132 1HG ARG 16 1HG ARG 16 5.281 1.353 8.125 133 2HG ARG 16 2HG ARG 16 6.174 -0.109 7.758 134 1HD ARG 16 1HD ARG 16 8.272 1.040 8.299 135 2HD ARG 16 2HD ARG 16 7.375 2.497 8.674 136 HE ARG 16 HE ARG 16 6.199 0.588 10.254 137 1HH1 ARG 16 1HH2 ARG 16 9.490 1.698 9.880 138 2HH1 ARG 16 2HH2 ARG 16 9.906 1.322 11.537 139 1HH2 ARG 16 1HH1 ARG 16 6.784 0.129 12.371 140 2HH2 ARG 16 2HH1 ARG 16 8.415 0.456 12.911 141 H ALA 17 H ALA 17 7.456 1.312 4.045 142 HA ALA 17 HA ALA 17 7.177 3.316 2.306 143 1HB ALA 17 1HB ALA 17 9.120 1.863 2.332 144 2HB ALA 17 2HB ALA 17 8.155 0.544 1.586 145 3HB ALA 17 3HB ALA 17 8.496 2.042 0.655 146 H CYS 18 H CYS 18 5.647 0.127 1.579 147 HA CYS 18 HA CYS 18 4.317 0.875 -0.754 148 1HB CYS 18 1HB CYS 18 4.436 -1.328 0.946 149 2HB CYS 18 2HB CYS 18 2.738 -0.947 0.741 150 H GLN 19 H GLN 19 2.915 0.726 2.474 151 HA GLN 19 HA GLN 19 0.789 2.531 1.742 152 1HB GLN 19 1HB GLN 19 0.190 2.194 4.142 153 2HB GLN 19 2HB GLN 19 0.170 0.789 3.093 154 1HG GLN 19 1HG GLN 19 1.861 -0.225 4.188 155 2HG GLN 19 2HG GLN 19 2.639 1.284 4.618 156 1HE2 GLN 19 2HE2 GLN 19 1.041 2.673 6.117 157 2HE2 GLN 19 1HE2 GLN 19 0.490 1.781 7.518 158 H GLN 20 H GLN 20 3.395 3.710 1.484 159 HA GLN 20 HA GLN 20 3.048 6.010 3.259 160 1HB GLN 20 1HB GLN 20 5.576 4.433 3.106 161 2HB GLN 20 2HB GLN 20 5.548 6.122 3.577 162 1HG GLN 20 1HG GLN 20 3.670 4.502 5.080 163 2HG GLN 20 2HG GLN 20 5.327 3.957 5.252 164 1HE2 GLN 20 2HE2 GLN 20 3.076 5.693 6.770 165 2HE2 GLN 20 1HE2 GLN 20 4.095 6.876 7.555 166 H TRP 21 H TRP 21 5.044 4.710 0.566 167 HA TRP 21 HA TRP 21 5.705 7.127 -0.628 168 1HB TRP 21 1HB TRP 21 6.039 5.922 -2.580 169 2HB TRP 21 2HB TRP 21 6.349 4.808 -1.263 170 HD1 TRP 21 HD TRP 21 5.338 2.528 -1.479 171 HE1 TRP 21 1HE TRP 21 3.366 1.484 -2.775 172 HE3 TRP 21 3HE TRP 21 3.826 6.667 -4.002 173 HZ2 TRP 21 2HZ TRP 21 1.410 2.367 -4.701 174 HZ3 TRP 21 3HZ TRP 21 1.926 6.554 -5.592 175 HH2 TRP 21 HH TRP 21 0.835 4.361 -6.071 176 H ILE 22 H ILE 22 2.584 5.586 -0.437 177 HA ILE 22 HA ILE 22 1.204 7.055 -2.428 178 HB ILE 22 HB ILE 22 -0.152 6.175 0.069 179 1HG1 ILE 22 1HG1 ILE 22 1.263 4.407 -1.840 180 2HG1 ILE 22 2HG1 ILE 22 1.059 4.246 -0.107 181 1HG2 ILE 22 1HG2 ILE 22 -1.411 7.301 -1.683 182 2HG2 ILE 22 2HG2 ILE 22 -0.812 6.109 -2.890 183 3HG2 ILE 22 3HG2 ILE 22 -1.915 5.579 -1.572 184 1HD1 ILE 22 1HD1 ILE 22 -1.254 3.482 -0.427 185 2HD1 ILE 22 2HD1 ILE 22 -1.044 3.646 -2.204 186 3HD1 ILE 22 3HD1 ILE 22 -0.074 2.436 -1.294 187 H ARG 23 H ARG 23 1.849 7.741 0.990 188 HA ARG 23 HA ARG 23 0.573 10.337 0.949 189 1HB ARG 23 1HB ARG 23 1.134 10.492 3.147 190 2HB ARG 23 2HB ARG 23 1.052 8.755 2.931 191 1HG ARG 23 1HG ARG 23 3.688 9.401 2.360 192 2HG ARG 23 2HG ARG 23 3.277 10.412 3.731 193 1HD ARG 23 1HD ARG 23 2.327 7.795 4.224 194 2HD ARG 23 2HD ARG 23 4.001 7.700 3.714 195 HE ARG 23 HE ARG 23 2.965 8.878 6.156 196 1HH1 ARG 23 1HH2 ARG 23 5.739 8.826 3.923 197 2HH1 ARG 23 2HH2 ARG 23 6.854 9.256 5.200 198 1HH2 ARG 23 1HH1 ARG 23 4.421 9.326 7.676 199 2HH2 ARG 23 2HH1 ARG 23 6.115 9.534 7.289 200 H GLN 24 H GLN 24 3.691 9.171 -0.040 201 HA GLN 24 HA GLN 24 5.137 11.599 0.336 202 1HB GLN 24 1HB GLN 24 6.131 9.339 -0.006 203 2HB GLN 24 2HB GLN 24 5.695 9.472 -1.698 204 1HG GLN 24 1HG GLN 24 7.245 11.718 -0.550 205 2HG GLN 24 2HG GLN 24 8.097 10.199 -0.751 206 1HE2 GLN 24 2HE2 GLN 24 7.103 9.197 -3.093 207 2HE2 GLN 24 1HE2 GLN 24 7.495 10.281 -4.409 208 H GLN 25 H GLN 25 2.710 10.707 -1.948 209 HA GLN 25 HA GLN 25 3.359 12.690 -3.918 210 1HB GLN 25 1HB GLN 25 2.046 10.986 -4.692 211 2HB GLN 25 2HB GLN 25 1.070 10.933 -3.239 212 1HG GLN 25 1HG GLN 25 -0.253 11.688 -5.100 213 2HG GLN 25 2HG GLN 25 -0.064 12.981 -3.932 214 1HE2 GLN 25 2HE2 GLN 25 -0.867 14.030 -6.145 215 2HE2 GLN 25 1HE2 GLN 25 0.423 14.658 -7.146 216 H LEU 26 H LEU 26 2.121 12.995 -0.713 217 HA LEU 26 HA LEU 26 0.469 15.309 -1.286 218 1HB LEU 26 1HB LEU 26 1.331 13.981 1.261 219 2HB LEU 26 2HB LEU 26 0.272 15.375 1.204 220 HG LEU 26 HG LEU 26 -0.816 13.138 1.520 221 1HD1 LEU 26 1HD1 LEU 26 -2.143 15.070 0.927 222 2HD1 LEU 26 2HD1 LEU 26 -1.761 14.814 -0.810 223 3HD1 LEU 26 3HD1 LEU 26 -2.753 13.607 0.079 224 1HD2 LEU 26 1HD2 LEU 26 -0.338 12.761 -1.441 225 2HD2 LEU 26 2HD2 LEU 26 0.308 11.727 -0.119 226 3HD2 LEU 26 3HD2 LEU 26 -1.463 11.801 -0.418 227 H ALA 27 H ALA 27 0.964 17.218 0.416 228 HA ALA 27 HA ALA 27 3.642 18.191 -0.293 229 1HB ALA 27 1HB ALA 27 1.705 19.607 -0.664 230 2HB ALA 27 2HB ALA 27 1.271 19.482 1.076 231 3HB ALA 27 3HB ALA 27 2.774 20.336 0.584 232 H GLY 28 H GLY 28 2.163 16.652 2.353 233 1HA GLY 28 1HA GLY 28 4.560 16.918 4.004 234 2HA GLY 28 2HA GLY 28 3.068 17.514 4.703 235 H SER 29 H SER 29 4.204 15.646 6.045 236 HA SER 29 HA SER 29 2.686 13.443 6.438 237 1HB SER 29 1HB SER 29 2.862 12.110 4.676 238 2HB SER 29 2HB SER 29 4.096 13.125 3.958 239 HG SER 29 HG SER 29 4.839 11.025 4.405 240 HA PRO 30 HA PRO 30 6.892 12.458 8.279 241 1HB PRO 30 1HB PRO 30 9.128 13.885 7.502 242 2HB PRO 30 2HB PRO 30 8.675 12.323 6.850 243 1HG PRO 30 1HG PRO 30 8.522 14.961 5.585 244 2HG PRO 30 2HG PRO 30 8.459 13.377 4.839 245 1HD PRO 30 1HD PRO 30 6.277 15.114 5.395 246 2HD PRO 30 2HD PRO 30 6.206 13.497 4.722 247 H PHE 31 H PHE 31 7.931 13.306 10.095 248 HA PHE 31 HA PHE 31 7.080 16.056 10.828 249 1HB PHE 31 1HB PHE 31 7.541 13.978 12.885 250 2HB PHE 31 2HB PHE 31 6.446 15.347 12.903 251 HD1 PHE 31 1HD PHE 31 4.265 15.234 11.633 252 HD2 PHE 31 2HD PHE 31 6.855 11.814 12.106 253 HE1 PHE 31 1HE PHE 31 2.401 13.725 10.990 254 HE2 PHE 31 2HE PHE 31 5.002 10.310 11.433 255 HZ PHE 31 HZ PHE 31 2.760 11.265 10.905 256 H SER 32 H SER 32 9.562 13.580 11.135 257 HA SER 32 HA SER 32 11.761 15.363 11.149 258 1HB SER 32 1HB SER 32 10.727 15.668 13.530 259 2HB SER 32 2HB SER 32 11.420 14.089 13.840 260 HG SER 32 HG SER 32 12.882 15.795 14.321 261 H GLU 33 H GLU 33 12.527 13.848 9.648 262 HA GLU 33 HA GLU 33 14.079 11.728 10.820 263 1HB GLU 33 1HB GLU 33 11.709 10.742 10.495 264 2HB GLU 33 2HB GLU 33 12.092 10.772 8.785 265 1HG GLU 33 1HG GLU 33 13.395 8.954 8.957 266 2HG GLU 33 2HG GLU 33 14.240 9.606 10.345 267 H ASN 34 H ASN 34 15.411 10.616 9.080 268 HA ASN 34 HA ASN 34 16.786 12.203 7.334 269 1HB ASN 34 1HB ASN 34 17.248 9.778 7.779 270 2HB ASN 34 2HB ASN 34 15.947 9.382 6.674 271 1HD2 ASN 34 2HD2 ASN 34 17.742 8.190 5.555 272 2HD2 ASN 34 1HD2 ASN 34 18.716 9.090 4.415 273 H GLN 35 H GLN 35 16.509 13.113 5.352 274 HA GLN 35 HA GLN 35 14.142 13.928 4.361 275 1HB GLN 35 1HB GLN 35 16.799 13.956 3.502 276 2HB GLN 35 2HB GLN 35 15.866 13.378 2.137 277 1HG GLN 35 1HG GLN 35 15.395 15.493 1.676 278 2HG GLN 35 2HG GLN 35 14.401 15.512 3.119 279 1HE2 GLN 35 2HE2 GLN 35 14.916 17.865 3.013 280 2HE2 GLN 35 1HE2 GLN 35 16.401 18.402 3.767 281 H TRP 36 H TRP 36 12.428 12.592 4.307 282 HA TRP 36 HA TRP 36 12.569 10.198 2.584 283 1HB TRP 36 1HB TRP 36 11.801 10.343 5.202 284 2HB TRP 36 2HB TRP 36 10.279 10.282 4.337 285 HD1 TRP 36 HD TRP 36 10.258 8.163 2.377 286 HE1 TRP 36 1HE TRP 36 11.008 5.716 2.751 287 HE3 TRP 36 3HE TRP 36 13.245 8.844 6.471 288 HZ2 TRP 36 2HZ TRP 36 12.666 4.250 4.615 289 HZ3 TRP 36 3HZ TRP 36 14.387 6.922 7.544 290 HH2 TRP 36 HH TRP 36 14.105 4.617 6.630 291 H GLY 37 H GLY 37 12.261 12.872 1.694 292 1HA GLY 37 1HA GLY 37 9.511 12.893 0.585 293 2HA GLY 37 2HA GLY 37 10.412 14.334 1.006 294 HA PRO 38 HA PRO 38 11.940 14.185 -3.137 295 1HB PRO 38 1HB PRO 38 14.261 15.663 -2.933 296 2HB PRO 38 2HB PRO 38 12.652 16.346 -3.051 297 1HG PRO 38 1HG PRO 38 14.422 16.171 -0.707 298 2HG PRO 38 2HG PRO 38 13.038 17.215 -0.968 299 1HD PRO 38 1HD PRO 38 13.129 14.846 0.603 300 2HD PRO 38 2HD PRO 38 11.718 15.822 0.241 301 H GLN 39 H GLN 39 14.738 13.828 -0.915 302 HA GLN 39 HA GLN 39 16.390 12.325 -2.618 303 1HB GLN 39 1HB GLN 39 16.216 12.260 0.384 304 2HB GLN 39 2HB GLN 39 17.550 11.630 -0.563 305 1HG GLN 39 1HG GLN 39 16.682 14.510 -0.399 306 2HG GLN 39 2HG GLN 39 18.122 13.814 0.318 307 1HE2 GLN 39 2HE2 GLN 39 17.172 15.707 -2.190 308 2HE2 GLN 39 1HE2 GLN 39 18.387 15.274 -3.372 309 H GLN 40 H GLN 40 14.354 11.082 0.031 310 HA GLN 40 HA GLN 40 14.405 8.422 -1.159 311 1HB GLN 40 1HB GLN 40 14.188 9.405 1.438 312 2HB GLN 40 2HB GLN 40 12.667 8.607 1.092 313 1HG GLN 40 1HG GLN 40 14.300 7.084 2.092 314 2HG GLN 40 2HG GLN 40 13.831 6.582 0.480 315 1HE2 GLN 40 2HE2 GLN 40 15.716 5.390 0.014 316 2HE2 GLN 40 1HE2 GLN 40 17.267 6.169 -0.203 317 H GLY 41 H GLY 41 12.949 10.781 -2.442 318 1HA GLY 41 1HA GLY 41 10.163 10.247 -2.383 319 2HA GLY 41 2HA GLY 41 11.033 11.063 -3.665 320 HA PRO 42 HA PRO 42 10.629 7.506 -6.169 321 1HB PRO 42 1HB PRO 42 13.121 6.995 -7.211 322 2HB PRO 42 2HB PRO 42 12.033 8.238 -7.797 323 1HG PRO 42 1HG PRO 42 14.500 8.531 -6.223 324 2HG PRO 42 2HG PRO 42 13.654 9.730 -7.181 325 1HD PRO 42 1HD PRO 42 13.590 9.435 -4.350 326 2HD PRO 42 2HD PRO 42 12.657 10.559 -5.317 327 H SER 43 H SER 43 13.360 7.246 -3.958 328 HA SER 43 HA SER 43 13.668 4.412 -3.986 329 1HB SER 43 1HB SER 43 14.478 5.870 -1.571 330 2HB SER 43 2HB SER 43 15.375 4.735 -2.560 331 HG SER 43 HG SER 43 16.223 6.850 -2.664 332 H LEU 44 H LEU 44 11.343 4.042 -3.877 333 HA LEU 44 HA LEU 44 10.473 3.275 -1.217 334 1HB LEU 44 1HB LEU 44 9.496 5.690 -2.535 335 2HB LEU 44 2HB LEU 44 8.216 4.565 -2.125 336 HG LEU 44 HG LEU 44 10.228 5.095 -0.031 337 1HD1 LEU 44 1HD1 LEU 44 9.898 7.365 -0.851 338 2HD1 LEU 44 2HD1 LEU 44 8.119 7.146 -0.720 339 3HD1 LEU 44 3HD1 LEU 44 9.138 7.138 0.761 340 1HD2 LEU 44 1HD2 LEU 44 7.209 4.946 0.049 341 2HD2 LEU 44 2HD2 LEU 44 8.349 3.612 0.445 342 3HD2 LEU 44 3HD2 LEU 44 8.298 5.086 1.473 343 H ARG 45 H ARG 45 9.754 3.650 -4.706 344 HA ARG 45 HA ARG 45 7.800 1.598 -4.835 345 1HB ARG 45 1HB ARG 45 8.961 3.290 -6.708 346 2HB ARG 45 2HB ARG 45 9.311 1.664 -7.260 347 1HG ARG 45 1HG ARG 45 7.156 2.539 -8.116 348 2HG ARG 45 2HG ARG 45 6.979 1.076 -7.170 349 1HD ARG 45 1HD ARG 45 5.525 2.127 -5.836 350 2HD ARG 45 2HD ARG 45 6.777 3.265 -5.380 351 HE ARG 45 HE ARG 45 4.576 3.717 -7.187 352 1HH1 ARG 45 1HH2 ARG 45 7.841 4.777 -6.400 353 2HH1 ARG 45 2HH2 ARG 45 7.603 6.336 -7.158 354 1HH2 ARG 45 1HH1 ARG 45 4.358 5.703 -8.134 355 2HH2 ARG 45 2HH1 ARG 45 5.684 6.844 -8.114 356 H GLU 46 H GLU 46 11.178 1.279 -5.998 357 HA GLU 46 HA GLU 46 11.189 -1.510 -6.207 358 1HB GLU 46 1HB GLU 46 13.265 0.559 -5.718 359 2HB GLU 46 2HB GLU 46 13.715 -1.130 -5.641 360 1HG GLU 46 1HG GLU 46 12.627 -1.389 -7.917 361 2HG GLU 46 2HG GLU 46 12.550 0.359 -7.978 362 H GLN 47 H GLN 47 11.505 0.462 -3.347 363 HA GLN 47 HA GLN 47 12.196 -1.685 -1.585 364 1HB GLN 47 1HB GLN 47 11.800 1.120 -1.393 365 2HB GLN 47 2HB GLN 47 10.836 0.324 -0.166 366 1HG GLN 47 1HG GLN 47 13.157 -1.064 0.046 367 2HG GLN 47 2HG GLN 47 13.766 0.508 -0.435 368 1HE2 GLN 47 2HE2 GLN 47 11.638 2.048 0.867 369 2HE2 GLN 47 1HE2 GLN 47 11.928 1.917 2.589 370 H CYS 48 H CYS 48 9.042 0.053 -2.013 371 HA CYS 48 HA CYS 48 7.512 -1.740 -0.450 372 1HB CYS 48 1HB CYS 48 6.297 0.058 -0.765 373 2HB CYS 48 2HB CYS 48 7.036 0.405 -2.316 374 H CYS 49 H CYS 49 8.225 -1.751 -3.907 375 HA CYS 49 HA CYS 49 6.746 -3.958 -4.749 376 1HB CYS 49 1HB CYS 49 8.771 -2.320 -5.788 377 2HB CYS 49 2HB CYS 49 9.299 -3.978 -5.992 378 H ASN 50 H ASN 50 9.335 -3.902 -2.532 379 HA ASN 50 HA ASN 50 9.638 -6.838 -2.592 380 1HB ASN 50 1HB ASN 50 11.546 -4.656 -2.279 381 2HB ASN 50 2HB ASN 50 11.678 -5.879 -1.032 382 1HD2 ASN 50 2HD2 ASN 50 11.391 -5.461 -4.532 383 2HD2 ASN 50 1HD2 ASN 50 12.341 -6.866 -4.958 384 H GLU 51 H GLU 51 9.318 -4.033 -0.412 385 HA GLU 51 HA GLU 51 9.115 -5.416 2.021 386 1HB GLU 51 1HB GLU 51 9.154 -3.335 2.778 387 2HB GLU 51 2HB GLU 51 9.061 -2.766 1.124 388 1HG GLU 51 1HG GLU 51 6.666 -2.691 1.232 389 2HG GLU 51 2HG GLU 51 6.680 -3.411 2.830 390 H LEU 52 H LEU 52 6.797 -4.999 -0.544 391 HA LEU 52 HA LEU 52 4.656 -6.052 1.165 392 1HB LEU 52 1HB LEU 52 3.286 -4.896 -0.155 393 2HB LEU 52 2HB LEU 52 4.758 -4.016 -0.513 394 HG LEU 52 HG LEU 52 3.674 -4.279 -2.530 395 1HD1 LEU 52 1HD1 LEU 52 6.023 -4.866 -2.897 396 2HD1 LEU 52 2HD1 LEU 52 5.628 -6.589 -2.566 397 3HD1 LEU 52 3HD1 LEU 52 4.926 -5.766 -4.001 398 1HD2 LEU 52 1HD2 LEU 52 3.219 -7.144 -1.741 399 2HD2 LEU 52 2HD2 LEU 52 2.008 -5.816 -1.774 400 3HD2 LEU 52 3HD2 LEU 52 2.732 -6.412 -3.309 401 H TYR 53 H TYR 53 7.101 -7.209 -0.756 402 HA TYR 53 HA TYR 53 5.684 -9.545 -1.886 403 1HB TYR 53 1HB TYR 53 7.630 -7.763 -2.844 404 2HB TYR 53 2HB TYR 53 8.460 -9.282 -2.572 405 HD1 TYR 53 1HD TYR 53 7.435 -11.422 -3.648 406 HD2 TYR 53 2HD TYR 53 6.414 -7.390 -4.800 407 HE1 TYR 53 1HE TYR 53 6.765 -12.213 -5.910 408 HE2 TYR 53 2HE TYR 53 5.763 -8.186 -7.058 409 HH TYR 53 HH TYR 53 5.350 -9.992 -8.308 410 H GLN 54 H GLN 54 8.104 -8.557 0.420 411 HA GLN 54 HA GLN 54 9.504 -10.936 0.891 412 1HB GLN 54 1HB GLN 54 9.791 -9.996 3.211 413 2HB GLN 54 2HB GLN 54 10.305 -8.960 1.896 414 1HG GLN 54 1HG GLN 54 8.501 -7.510 2.173 415 2HG GLN 54 2HG GLN 54 7.587 -8.677 3.107 416 1HE2 GLN 54 2HE2 GLN 54 7.158 -7.367 4.824 417 2HE2 GLN 54 1HE2 GLN 54 8.395 -6.800 5.922 418 H GLU 55 H GLU 55 6.348 -9.870 1.929 419 HA GLU 55 HA GLU 55 5.930 -12.126 3.661 420 1HB GLU 55 1HB GLU 55 4.065 -10.034 2.644 421 2HB GLU 55 2HB GLU 55 3.695 -11.207 3.892 422 1HG GLU 55 1HG GLU 55 6.021 -10.055 4.792 423 2HG GLU 55 2HG GLU 55 5.168 -8.709 4.065 424 H ASP 56 H ASP 56 6.355 -12.293 0.537 425 HA ASP 56 HA ASP 56 5.829 -13.835 -1.063 426 1HB ASP 56 1HB ASP 56 5.085 -15.196 1.060 427 2HB ASP 56 2HB ASP 56 3.479 -14.864 0.440 428 H GLN 57 H GLN 57 3.492 -14.553 -2.216 429 HA GLN 57 HA GLN 57 2.162 -12.084 -3.018 430 1HB GLN 57 1HB GLN 57 2.464 -14.855 -3.986 431 2HB GLN 57 2HB GLN 57 0.983 -14.033 -4.435 432 1HG GLN 57 1HG GLN 57 3.036 -13.815 -5.988 433 2HG GLN 57 2HG GLN 57 2.111 -12.375 -5.613 434 1HE2 GLN 57 2HE2 GLN 57 3.156 -10.640 -4.623 435 2HE2 GLN 57 1HE2 GLN 57 4.798 -10.720 -4.026 436 H VAL 58 H VAL 58 1.549 -14.788 -0.983 437 HA VAL 58 HA VAL 58 -1.318 -14.427 -0.894 438 HB VAL 58 HB VAL 58 -0.059 -15.859 1.285 439 1HG1 VAL 58 1HG1 VAL 58 -2.436 -15.929 0.981 440 2HG1 VAL 58 2HG1 VAL 58 -2.227 -16.561 -0.690 441 3HG1 VAL 58 3HG1 VAL 58 -1.739 -17.566 0.722 442 1HG2 VAL 58 1HG2 VAL 58 0.309 -16.964 -1.504 443 2HG2 VAL 58 2HG2 VAL 58 1.610 -16.477 -0.362 444 3HG2 VAL 58 3HG2 VAL 58 0.547 -17.875 0.027 445 H CYS 59 H CYS 59 1.225 -12.733 0.380 446 HA CYS 59 HA CYS 59 -0.474 -11.411 2.384 447 1HB CYS 59 1HB CYS 59 2.478 -11.425 2.184 448 2HB CYS 59 2HB CYS 59 1.512 -10.622 3.405 449 H VAL 60 H VAL 60 -0.118 -11.102 -0.674 450 HA VAL 60 HA VAL 60 0.497 -8.227 -0.753 451 HB VAL 60 HB VAL 60 0.091 -10.337 -2.799 452 1HG1 VAL 60 1HG1 VAL 60 -1.284 -8.473 -3.616 453 2HG1 VAL 60 2HG1 VAL 60 0.107 -7.357 -3.379 454 3HG1 VAL 60 3HG1 VAL 60 0.205 -8.668 -4.606 455 1HG2 VAL 60 1HG2 VAL 60 2.238 -8.310 -2.137 456 2HG2 VAL 60 2HG2 VAL 60 2.247 -10.062 -1.734 457 3HG2 VAL 60 3HG2 VAL 60 2.343 -9.533 -3.451 458 H CYS 61 H CYS 61 -2.249 -10.301 -0.602 459 HA CYS 61 HA CYS 61 -4.009 -8.203 -0.089 460 1HB CYS 61 1HB CYS 61 -3.541 -8.260 -2.811 461 2HB CYS 61 2HB CYS 61 -5.035 -9.155 -2.625 462 HA PRO 62 HA PRO 62 -6.116 -8.013 0.175 463 1HB PRO 62 1HB PRO 62 -7.910 -8.339 2.184 464 2HB PRO 62 2HB PRO 62 -8.303 -8.498 0.484 465 1HG PRO 62 1HG PRO 62 -7.958 -10.600 2.519 466 2HG PRO 62 2HG PRO 62 -8.833 -10.663 1.003 467 1HD PRO 62 1HD PRO 62 -6.240 -11.723 1.530 468 2HD PRO 62 2HD PRO 62 -7.062 -11.669 -0.018 469 H THR 63 H THR 63 -4.073 -9.787 1.718 470 HA THR 63 HA THR 63 -3.643 -8.846 4.277 471 HB THR 63 HB THR 63 -1.353 -9.129 2.451 472 HG1 THR 63 1HG THR 63 -1.846 -11.383 2.258 473 1HG2 THR 63 1HG2 THR 63 -1.024 -9.084 4.885 474 2HG2 THR 63 2HG2 THR 63 -2.138 -10.486 5.046 475 3HG2 THR 63 3HG2 THR 63 -0.569 -10.678 4.189 476 H LEU 64 H LEU 64 -2.516 -7.280 1.230 477 HA LEU 64 HA LEU 64 -1.499 -4.935 2.492 478 1HB LEU 64 1HB LEU 64 -2.069 -5.836 -0.174 479 2HB LEU 64 2HB LEU 64 -2.581 -4.173 0.035 480 HG LEU 64 HG LEU 64 0.051 -4.748 1.148 481 1HD1 LEU 64 1HD1 LEU 64 0.180 -6.233 -0.768 482 2HD1 LEU 64 2HD1 LEU 64 -0.358 -4.889 -1.834 483 3HD1 LEU 64 3HD1 LEU 64 1.225 -4.786 -0.990 484 1HD2 LEU 64 1HD2 LEU 64 -0.903 -2.671 -0.847 485 2HD2 LEU 64 2HD2 LEU 64 -0.794 -2.449 0.934 486 3HD2 LEU 64 3HD2 LEU 64 0.700 -2.693 -0.034 487 H LYS 65 H LYS 65 -4.815 -5.808 1.523 488 HA LYS 65 HA LYS 65 -6.159 -3.421 1.688 489 1HB LYS 65 1HB LYS 65 -7.069 -5.826 1.509 490 2HB LYS 65 2HB LYS 65 -7.168 -5.751 3.256 491 1HG LYS 65 1HG LYS 65 -8.946 -4.376 3.231 492 2HG LYS 65 2HG LYS 65 -8.395 -3.513 1.810 493 1HD LYS 65 1HD LYS 65 -10.294 -4.604 1.040 494 2HD LYS 65 2HD LYS 65 -9.006 -5.679 0.539 495 1HE LYS 65 1HE LYS 65 -9.617 -7.318 2.008 496 2HE LYS 65 2HE LYS 65 -10.176 -6.176 3.213 497 1HZ LYS 65 1HZ LYS 65 -12.121 -5.791 1.877 498 2HZ LYS 65 2HZ LYS 65 -11.593 -6.870 0.737 499 3HZ LYS 65 3HZ LYS 65 -11.991 -7.397 2.256 500 H GLN 66 H GLN 66 -4.704 -5.168 4.457 501 HA GLN 66 HA GLN 66 -5.561 -3.279 6.414 502 1HB GLN 66 1HB GLN 66 -3.983 -5.628 6.326 503 2HB GLN 66 2HB GLN 66 -3.140 -4.394 7.241 504 1HG GLN 66 1HG GLN 66 -4.466 -4.905 8.968 505 2HG GLN 66 2HG GLN 66 -5.788 -4.194 8.067 506 1HE2 GLN 66 2HE2 GLN 66 -3.884 -7.219 8.126 507 2HE2 GLN 66 1HE2 GLN 66 -5.254 -8.276 7.868 508 H ALA 67 H ALA 67 -2.216 -3.670 5.111 509 HA ALA 67 HA ALA 67 -1.175 -1.304 6.106 510 1HB ALA 67 1HB ALA 67 0.164 -3.010 5.013 511 2HB ALA 67 2HB ALA 67 -0.624 -2.637 3.442 512 3HB ALA 67 3HB ALA 67 0.435 -1.416 4.229 513 H ALA 68 H ALA 68 -3.296 -1.692 3.352 514 HA ALA 68 HA ALA 68 -3.210 1.032 2.442 515 1HB ALA 68 1HB ALA 68 -3.607 -0.824 0.911 516 2HB ALA 68 2HB ALA 68 -5.079 -1.276 1.838 517 3HB ALA 68 3HB ALA 68 -5.025 0.279 0.941 518 H LYS 69 H LYS 69 -5.423 -0.871 4.500 519 HA LYS 69 HA LYS 69 -7.509 0.973 4.824 520 1HB LYS 69 1HB LYS 69 -6.481 -1.338 6.279 521 2HB LYS 69 2HB LYS 69 -7.326 -0.181 7.289 522 1HG LYS 69 1HG LYS 69 -9.315 -0.799 6.494 523 2HG LYS 69 2HG LYS 69 -8.762 -0.703 4.834 524 1HD LYS 69 1HD LYS 69 -8.589 -2.913 4.671 525 2HD LYS 69 2HD LYS 69 -7.682 -3.020 6.167 526 1HE LYS 69 1HE LYS 69 -9.947 -2.779 7.327 527 2HE LYS 69 2HE LYS 69 -10.635 -3.161 5.761 528 1HZ LYS 69 1HZ LYS 69 -9.355 -5.186 5.745 529 2HZ LYS 69 2HZ LYS 69 -8.705 -4.825 7.225 530 3HZ LYS 69 3HZ LYS 69 -10.327 -5.132 7.087 531 H SER 70 H SER 70 -4.557 0.631 6.767 532 HA SER 70 HA SER 70 -4.920 3.392 7.741 533 1HB SER 70 1HB SER 70 -4.846 1.956 9.559 534 2HB SER 70 2HB SER 70 -3.484 1.065 8.909 535 HG SER 70 HG SER 70 -2.910 2.388 10.664 536 H VAL 71 H VAL 71 -4.165 3.175 5.100 537 HA VAL 71 HA VAL 71 -1.290 3.388 4.935 538 HB VAL 71 HB VAL 71 -3.151 2.899 3.177 539 1HG1 VAL 71 1HG1 VAL 71 -4.206 5.063 3.225 540 2HG1 VAL 71 2HG1 VAL 71 -2.645 5.829 2.766 541 3HG1 VAL 71 3HG1 VAL 71 -3.477 4.726 1.616 542 1HG2 VAL 71 1HG2 VAL 71 -0.648 4.394 2.457 543 2HG2 VAL 71 2HG2 VAL 71 -0.799 2.621 2.716 544 3HG2 VAL 71 3HG2 VAL 71 -1.653 3.405 1.341 545 H ARG 72 H ARG 72 -3.787 5.548 5.732 546 HA ARG 72 HA ARG 72 -1.915 7.755 6.179 547 1HB ARG 72 1HB ARG 72 -3.857 7.662 4.098 548 2HB ARG 72 2HB ARG 72 -4.286 8.922 5.237 549 1HG ARG 72 1HG ARG 72 -1.533 9.196 4.882 550 2HG ARG 72 2HG ARG 72 -2.158 8.869 3.277 551 1HD ARG 72 1HD ARG 72 -2.960 10.950 3.096 552 2HD ARG 72 2HD ARG 72 -3.814 10.809 4.619 553 HE ARG 72 HE ARG 72 -1.257 12.092 4.145 554 1HH1 ARG 72 1HH2 ARG 72 -3.379 10.719 6.597 555 2HH1 ARG 72 2HH2 ARG 72 -2.583 11.588 7.890 556 1HH2 ARG 72 1HH1 ARG 72 -0.286 13.143 5.827 557 2HH2 ARG 72 2HH1 ARG 72 -0.870 12.930 7.461 558 H VAL 73 H VAL 73 -3.955 5.728 7.551 559 HA VAL 73 HA VAL 73 -5.613 7.418 9.170 560 HB VAL 73 HB VAL 73 -4.692 4.597 9.332 561 1HG1 VAL 73 1HG1 VAL 73 -4.807 5.276 11.671 562 2HG1 VAL 73 2HG1 VAL 73 -6.461 5.926 11.400 563 3HG1 VAL 73 3HG1 VAL 73 -6.154 4.160 11.256 564 1HG2 VAL 73 1HG2 VAL 73 -7.401 5.871 8.926 565 2HG2 VAL 73 2HG2 VAL 73 -6.375 5.092 7.673 566 3HG2 VAL 73 3HG2 VAL 73 -7.085 4.102 8.995 567 H GLN 74 H GLN 74 -4.932 8.793 10.562 568 HA GLN 74 HA GLN 74 -3.403 8.302 12.822 569 1HB GLN 74 1HB GLN 74 -1.720 8.646 10.553 570 2HB GLN 74 2HB GLN 74 -1.524 10.039 11.598 571 1HG GLN 74 1HG GLN 74 -0.790 8.744 13.398 572 2HG GLN 74 2HG GLN 74 -1.515 7.280 12.765 573 1HE2 GLN 74 2HE2 GLN 74 1.280 9.351 12.727 574 2HE2 GLN 74 1HE2 GLN 74 2.259 8.359 11.670 575 H GLY 75 H GLY 75 -5.218 9.439 13.600 576 1HA GLY 75 1HA GLY 75 -5.440 11.670 14.688 577 2HA GLY 75 2HA GLY 75 -5.138 12.381 13.118 578 H GLN 76 H GLN 76 -6.980 13.308 12.477 579 HA GLN 76 HA GLN 76 -9.476 11.715 12.472 580 1HB GLN 76 1HB GLN 76 -9.010 14.437 13.571 581 2HB GLN 76 2HB GLN 76 -10.557 14.072 12.838 582 1HG GLN 76 1HG GLN 76 -10.952 12.276 14.366 583 2HG GLN 76 2HG GLN 76 -9.305 12.341 14.961 584 1HE2 GLN 76 2HE2 GLN 76 -8.758 13.806 16.574 585 2HE2 GLN 76 1HE2 GLN 76 -9.919 14.890 17.305 586 H HIS 77 H HIS 77 -9.638 11.204 10.416 587 HA HIS 77 HA HIS 77 -9.580 13.432 8.481 588 1HB HIS 77 1HB HIS 77 -7.768 11.634 8.335 589 2HB HIS 77 2HB HIS 77 -9.032 10.603 7.696 590 HD1 HIS 77 1HD HIS 77 -8.464 14.337 6.880 591 HD2 HIS 77 2HD HIS 77 -8.519 10.489 5.137 592 HE1 HIS 77 1HE HIS 77 -8.188 14.694 4.342 593 HE2 HIS 77 2HE HIS 77 -8.241 12.358 3.298 594 H GLY 78 H GLY 78 -10.642 11.086 6.697 595 1HA GLY 78 1HA GLY 78 -13.175 10.301 7.333 596 2HA GLY 78 2HA GLY 78 -13.387 11.953 6.788 597 HA PRO 79 HA PRO 79 -13.603 9.296 3.058 598 1HB PRO 79 1HB PRO 79 -15.601 10.773 1.857 599 2HB PRO 79 2HB PRO 79 -15.877 9.387 2.891 600 1HG PRO 79 1HG PRO 79 -16.299 12.235 3.469 601 2HG PRO 79 2HG PRO 79 -16.960 10.836 4.288 602 1HD PRO 79 1HD PRO 79 -14.799 12.461 5.154 603 2HD PRO 79 2HD PRO 79 -15.374 10.986 5.902 604 H PHE 80 H PHE 80 -11.607 9.908 2.237 605 HA PHE 80 HA PHE 80 -11.503 11.855 0.130 606 1HB PHE 80 1HB PHE 80 -11.162 12.929 2.699 607 2HB PHE 80 2HB PHE 80 -9.547 12.789 2.036 608 HD1 PHE 80 1HD PHE 80 -8.873 14.043 0.027 609 HD2 PHE 80 2HD PHE 80 -12.765 14.531 1.835 610 HE1 PHE 80 1HE PHE 80 -9.200 16.160 -1.229 611 HE2 PHE 80 2HE PHE 80 -13.129 16.585 0.501 612 HZ PHE 80 HZ PHE 80 -11.338 17.418 -1.010 613 H GLN 81 H GLN 81 -9.602 10.307 2.697 614 HA GLN 81 HA GLN 81 -7.303 9.897 1.057 615 1HB GLN 81 1HB GLN 81 -8.084 9.020 3.745 616 2HB GLN 81 2HB GLN 81 -6.913 8.027 2.900 617 1HG GLN 81 1HG GLN 81 -6.737 11.004 3.317 618 2HG GLN 81 2HG GLN 81 -5.799 9.794 4.169 619 1HE2 GLN 81 2HE2 GLN 81 -5.923 11.777 1.299 620 2HE2 GLN 81 1HE2 GLN 81 -4.488 11.097 0.562 621 H SER 82 H SER 82 -9.376 7.320 2.415 622 HA SER 82 HA SER 82 -8.669 5.235 0.845 623 1HB SER 82 1HB SER 82 -10.830 4.272 1.166 624 2HB SER 82 2HB SER 82 -10.368 5.145 2.611 625 HG SER 82 HG SER 82 -12.523 5.588 1.974 626 H THR 83 H THR 83 -10.806 7.840 -0.265 627 HA THR 83 HA THR 83 -11.434 6.943 -2.812 628 HB THR 83 HB THR 83 -10.996 9.549 -1.531 629 HG1 THR 83 1HG THR 83 -13.171 9.729 -2.192 630 1HG2 THR 83 1HG2 THR 83 -9.994 10.062 -3.698 631 2HG2 THR 83 2HG2 THR 83 -11.446 9.393 -4.520 632 3HG2 THR 83 3HG2 THR 83 -11.587 10.871 -3.505 633 H ARG 84 H ARG 84 -8.642 9.192 -2.333 634 HA ARG 84 HA ARG 84 -7.568 8.385 -4.881 635 1HB ARG 84 1HB ARG 84 -7.244 10.592 -3.312 636 2HB ARG 84 2HB ARG 84 -5.713 9.764 -3.108 637 1HG ARG 84 1HG ARG 84 -5.166 10.845 -5.036 638 2HG ARG 84 2HG ARG 84 -6.045 9.529 -5.791 639 1HD ARG 84 1HD ARG 84 -8.071 10.854 -5.848 640 2HD ARG 84 2HD ARG 84 -7.295 12.143 -4.950 641 HE ARG 84 HE ARG 84 -6.018 11.431 -7.481 642 1HH1 ARG 84 1HH2 ARG 84 -8.298 13.600 -5.919 643 2HH1 ARG 84 2HH2 ARG 84 -8.161 14.795 -7.188 644 1HH2 ARG 84 1HH1 ARG 84 -5.893 13.013 -9.061 645 2HH2 ARG 84 2HH1 ARG 84 -6.844 14.475 -8.908 646 H ILE 85 H ILE 85 -6.806 7.627 -1.553 647 HA ILE 85 HA ILE 85 -4.423 6.267 -1.730 648 HB ILE 85 HB ILE 85 -6.833 5.928 -0.036 649 1HG1 ILE 85 1HG1 ILE 85 -5.562 7.815 0.480 650 2HG1 ILE 85 2HG1 ILE 85 -5.208 6.632 1.722 651 1HG2 ILE 85 1HG2 ILE 85 -6.030 3.640 -0.226 652 2HG2 ILE 85 2HG2 ILE 85 -4.372 4.181 0.206 653 3HG2 ILE 85 3HG2 ILE 85 -5.697 4.295 1.416 654 1HD1 ILE 85 1HD1 ILE 85 -3.064 6.088 0.626 655 2HD1 ILE 85 2HD1 ILE 85 -3.429 7.303 -0.650 656 3HD1 ILE 85 3HD1 ILE 85 -3.171 7.832 1.050 657 H TYR 86 H TYR 86 -7.642 4.793 -2.072 658 HA TYR 86 HA TYR 86 -6.658 2.302 -3.064 659 1HB TYR 86 1HB TYR 86 -9.316 3.667 -3.126 660 2HB TYR 86 2HB TYR 86 -9.060 2.089 -3.844 661 HD1 TYR 86 1HD TYR 86 -9.860 0.338 -2.593 662 HD2 TYR 86 2HD TYR 86 -8.109 3.687 -0.530 663 HE1 TYR 86 1HE TYR 86 -10.289 -0.761 -0.403 664 HE2 TYR 86 2HE TYR 86 -8.570 2.623 1.658 665 HH TYR 86 HH TYR 86 -9.397 0.831 2.673 666 H GLN 87 H GLN 87 -7.661 5.345 -4.611 667 HA GLN 87 HA GLN 87 -7.457 4.359 -7.289 668 1HB GLN 87 1HB GLN 87 -8.405 6.631 -6.154 669 2HB GLN 87 2HB GLN 87 -6.942 7.191 -6.938 670 1HG GLN 87 1HG GLN 87 -7.681 6.482 -9.063 671 2HG GLN 87 2HG GLN 87 -8.928 5.459 -8.380 672 1HE2 GLN 87 2HE2 GLN 87 -7.916 8.859 -8.749 673 2HE2 GLN 87 1HE2 GLN 87 -9.525 9.528 -8.584 674 H ILE 88 H ILE 88 -5.017 4.694 -5.117 675 HA ILE 88 HA ILE 88 -2.990 5.019 -7.237 676 HB ILE 88 HB ILE 88 -2.851 6.019 -4.407 677 1HG1 ILE 88 1HG1 ILE 88 -2.579 7.744 -6.840 678 2HG1 ILE 88 2HG1 ILE 88 -4.176 7.367 -6.226 679 1HG2 ILE 88 1HG2 ILE 88 -0.689 5.166 -5.206 680 2HG2 ILE 88 2HG2 ILE 88 -0.853 6.165 -6.692 681 3HG2 ILE 88 3HG2 ILE 88 -0.667 6.959 -5.090 682 1HD1 ILE 88 1HD1 ILE 88 -3.559 8.268 -4.003 683 2HD1 ILE 88 2HD1 ILE 88 -1.919 8.654 -4.634 684 3HD1 ILE 88 3HD1 ILE 88 -3.359 9.508 -5.291 685 H ALA 89 H ALA 89 -4.342 3.127 -4.762 686 HA ALA 89 HA ALA 89 -2.057 1.318 -4.660 687 1HB ALA 89 1HB ALA 89 -3.113 1.900 -2.560 688 2HB ALA 89 2HB ALA 89 -4.704 1.345 -3.188 689 3HB ALA 89 3HB ALA 89 -3.382 0.158 -2.914 690 H LYS 90 H LYS 90 -4.791 1.787 -6.615 691 HA LYS 90 HA LYS 90 -5.276 -1.009 -7.208 692 1HB LYS 90 1HB LYS 90 -7.054 -0.305 -8.384 693 2HB LYS 90 2HB LYS 90 -6.807 1.131 -7.412 694 1HG LYS 90 1HG LYS 90 -5.695 0.834 -10.188 695 2HG LYS 90 2HG LYS 90 -7.267 1.532 -9.856 696 1HD LYS 90 1HD LYS 90 -6.279 3.261 -8.509 697 2HD LYS 90 2HD LYS 90 -4.701 2.512 -8.632 698 1HE LYS 90 1HE LYS 90 -5.234 2.828 -11.235 699 2HE LYS 90 2HE LYS 90 -6.165 4.165 -10.590 700 1HZ LYS 90 1HZ LYS 90 -4.195 4.943 -9.489 701 2HZ LYS 90 2HZ LYS 90 -3.317 3.679 -10.098 702 3HZ LYS 90 3HZ LYS 90 -3.938 4.824 -11.120 703 H ASN 91 H ASN 91 -3.217 1.461 -8.371 704 HA ASN 91 HA ASN 91 -2.278 -0.094 -10.649 705 1HB ASN 91 1HB ASN 91 -2.182 2.689 -9.813 706 2HB ASN 91 2HB ASN 91 -0.693 2.109 -10.531 707 1HD2 ASN 91 2HD2 ASN 91 -4.005 1.028 -11.347 708 2HD2 ASN 91 1HD2 ASN 91 -3.973 1.669 -12.973 709 H LEU 92 H LEU 92 -1.676 -0.160 -7.408 710 HA LEU 92 HA LEU 92 1.139 -0.567 -7.417 711 1HB LEU 92 1HB LEU 92 -1.104 -1.202 -5.625 712 2HB LEU 92 2HB LEU 92 0.368 -2.128 -5.412 713 HG LEU 92 HG LEU 92 0.486 0.839 -5.562 714 1HD1 LEU 92 1HD1 LEU 92 -1.218 0.334 -3.835 715 2HD1 LEU 92 2HD1 LEU 92 -0.064 -0.809 -3.062 716 3HD1 LEU 92 3HD1 LEU 92 0.305 0.951 -3.102 717 1HD2 LEU 92 1HD2 LEU 92 2.117 -1.328 -4.185 718 2HD2 LEU 92 2HD2 LEU 92 2.549 -0.500 -5.721 719 3HD2 LEU 92 3HD2 LEU 92 2.503 0.428 -4.182 720 HA PRO 93 HA PRO 93 0.440 -5.162 -8.213 721 1HB PRO 93 1HB PRO 93 -2.009 -6.094 -9.006 722 2HB PRO 93 2HB PRO 93 -1.430 -6.122 -7.353 723 1HG PRO 93 1HG PRO 93 -3.460 -4.377 -8.576 724 2HG PRO 93 2HG PRO 93 -3.207 -4.756 -6.884 725 1HD PRO 93 1HD PRO 93 -2.398 -2.409 -8.264 726 2HD PRO 93 2HD PRO 93 -2.059 -2.832 -6.597 727 H ASN 94 H ASN 94 -0.466 -2.608 -10.132 728 HA ASN 94 HA ASN 94 -0.321 -4.079 -12.693 729 1HB ASN 94 1HB ASN 94 -0.850 -1.186 -12.057 730 2HB ASN 94 2HB ASN 94 -0.879 -1.891 -13.662 731 1HD2 ASN 94 2HD2 ASN 94 -3.008 -0.468 -12.595 732 2HD2 ASN 94 1HD2 ASN 94 -4.342 -1.569 -12.330 733 H VAL 95 H VAL 95 1.368 -1.588 -10.787 734 HA VAL 95 HA VAL 95 3.542 -1.535 -12.796 735 HB VAL 95 HB VAL 95 3.249 0.309 -10.466 736 1HG1 VAL 95 1HG1 VAL 95 5.451 0.272 -11.506 737 2HG1 VAL 95 2HG1 VAL 95 4.702 0.551 -13.116 738 3HG1 VAL 95 3HG1 VAL 95 4.622 1.829 -11.853 739 1HG2 VAL 95 1HG2 VAL 95 2.105 0.756 -13.250 740 2HG2 VAL 95 2HG2 VAL 95 1.152 0.524 -11.742 741 3HG2 VAL 95 3HG2 VAL 95 2.184 1.984 -11.937 742 H CYS 96 H CYS 96 2.775 -2.711 -9.755 743 HA CYS 96 HA CYS 96 5.484 -3.738 -9.267 744 1HB CYS 96 1HB CYS 96 3.684 -2.243 -7.480 745 2HB CYS 96 2HB CYS 96 4.404 -3.680 -6.780 746 H ASN 97 H ASN 97 3.330 -4.971 -10.869 747 HA ASN 97 HA ASN 97 1.692 -6.828 -10.013 748 1HB ASN 97 1HB ASN 97 3.923 -7.155 -11.916 749 2HB ASN 97 2HB ASN 97 3.005 -8.576 -11.458 750 1HD2 ASN 97 2HD2 ASN 97 2.723 -5.315 -12.774 751 2HD2 ASN 97 1HD2 ASN 97 1.270 -5.632 -13.696 752 H MET 98 H MET 98 1.597 -7.549 -8.070 753 HA MET 98 HA MET 98 3.758 -9.295 -7.099 754 1HB MET 98 1HB MET 98 3.574 -8.314 -4.882 755 2HB MET 98 2HB MET 98 4.063 -7.133 -6.079 756 1HG MET 98 1HG MET 98 1.282 -7.040 -6.006 757 2HG MET 98 2HG MET 98 1.798 -7.135 -4.335 758 1HE MET 98 1HE MET 98 0.045 -4.795 -5.200 759 2HE MET 98 2HE MET 98 0.798 -4.933 -3.573 760 3HE MET 98 3HE MET 98 0.931 -3.397 -4.498 761 H LYS 99 H LYS 99 1.008 -9.622 -8.333 762 HA LYS 99 HA LYS 99 0.260 -11.836 -6.659 763 1HB LYS 99 1HB LYS 99 -0.903 -10.390 -5.297 764 2HB LYS 99 2HB LYS 99 -1.322 -9.318 -6.619 765 1HG LYS 99 1HG LYS 99 -2.484 -11.972 -6.912 766 2HG LYS 99 2HG LYS 99 -3.002 -11.157 -5.449 767 1HD LYS 99 1HD LYS 99 -2.983 -9.675 -8.058 768 2HD LYS 99 2HD LYS 99 -4.324 -10.731 -7.662 769 1HE LYS 99 1HE LYS 99 -5.161 -9.252 -6.219 770 2HE LYS 99 2HE LYS 99 -3.613 -9.079 -5.416 771 1HZ LYS 99 1HZ LYS 99 -2.977 -7.499 -7.085 772 2HZ LYS 99 2HZ LYS 99 -4.440 -7.661 -7.844 773 3HZ LYS 99 3HZ LYS 99 -4.364 -7.011 -6.324 774 H GLN 100 H GLN 100 0.602 -13.101 -8.356 775 HA GLN 100 HA GLN 100 -0.889 -12.476 -10.827 776 1HB GLN 100 1HB GLN 100 1.603 -13.432 -10.496 777 2HB GLN 100 2HB GLN 100 0.715 -14.932 -10.678 778 1HG GLN 100 1HG GLN 100 0.351 -12.613 -12.560 779 2HG GLN 100 2HG GLN 100 1.572 -13.842 -12.825 780 1HE2 GLN 100 2HE2 GLN 100 0.537 -16.193 -12.459 781 2HE2 GLN 100 1HE2 GLN 100 -0.924 -16.452 -13.388 782 H ILE 101 H ILE 101 -0.781 -14.827 -8.208 783 HA ILE 101 HA ILE 101 -2.543 -16.757 -9.064 784 HB ILE 101 HB ILE 101 -1.543 -17.159 -7.060 785 1HG1 ILE 101 1HG1 ILE 101 -3.234 -17.649 -5.450 786 2HG1 ILE 101 2HG1 ILE 101 -4.311 -16.461 -6.157 787 1HG2 ILE 101 1HG2 ILE 101 -0.849 -14.929 -6.391 788 2HG2 ILE 101 2HG2 ILE 101 -2.536 -14.530 -5.915 789 3HG2 ILE 101 3HG2 ILE 101 -1.618 -15.780 -5.006 790 1HD1 ILE 101 1HD1 ILE 101 -4.453 -17.795 -8.237 791 2HD1 ILE 101 2HD1 ILE 101 -3.348 -19.013 -7.513 792 3HD1 ILE 101 3HD1 ILE 101 -4.979 -18.746 -6.806 793 H GLY 102 H GLY 102 -3.738 -14.124 -6.968 794 1HA GLY 102 1HA GLY 102 -5.697 -12.831 -7.985 795 2HA GLY 102 2HA GLY 102 -6.363 -14.411 -8.343 796 H THR 103 H THR 103 -4.907 -12.743 -5.549 797 HA THR 103 HA THR 103 -6.696 -14.214 -3.748 798 HB THR 103 HB THR 103 -4.613 -12.257 -2.885 799 HG1 THR 103 1HG THR 103 -3.164 -14.024 -2.907 800 1HG2 THR 103 1HG2 THR 103 -6.103 -13.193 -1.155 801 2HG2 THR 103 2HG2 THR 103 -5.659 -14.850 -1.696 802 3HG2 THR 103 3HG2 THR 103 -4.415 -13.782 -0.958 803 H CYS 104 H CYS 104 -5.687 -10.779 -3.645 804 HA CYS 104 HA CYS 104 -8.534 -9.989 -3.811 805 1HB CYS 104 1HB CYS 104 -8.401 -9.371 -1.737 806 2HB CYS 104 2HB CYS 104 -6.656 -9.528 -1.712 807 HA PRO 105 HA PRO 105 -6.342 -7.868 -7.119 808 1HB PRO 105 1HB PRO 105 -8.035 -8.522 -9.158 809 2HB PRO 105 2HB PRO 105 -6.610 -9.447 -8.729 810 1HG PRO 105 1HG PRO 105 -9.451 -10.068 -8.226 811 2HG PRO 105 2HG PRO 105 -8.080 -11.155 -8.286 812 1HD PRO 105 1HD PRO 105 -9.359 -10.127 -5.962 813 2HD PRO 105 2HD PRO 105 -7.924 -11.129 -6.024 814 H PHE 106 H PHE 106 -7.501 -6.597 -5.170 815 HA PHE 106 HA PHE 106 -9.837 -5.120 -5.714 816 1HB PHE 106 1HB PHE 106 -9.296 -4.273 -3.735 817 2HB PHE 106 2HB PHE 106 -7.729 -5.052 -3.831 818 HD1 PHE 106 1HD PHE 106 -5.800 -3.762 -3.713 819 HD2 PHE 106 2HD PHE 106 -9.483 -1.953 -5.081 820 HE1 PHE 106 1HE PHE 106 -4.706 -1.530 -3.775 821 HE2 PHE 106 2HE PHE 106 -8.283 0.180 -5.481 822 HZ PHE 106 HZ PHE 106 -5.970 0.431 -4.625 823 H ILE 107 H ILE 107 -10.313 -3.514 -7.003 824 HA ILE 107 HA ILE 107 -8.621 -1.561 -8.091 825 HB ILE 107 HB ILE 107 -9.031 -2.401 -10.545 826 1HG1 ILE 107 1HG1 ILE 107 -8.253 -5.060 -9.584 827 2HG1 ILE 107 2HG1 ILE 107 -9.926 -4.618 -9.320 828 1HG2 ILE 107 1HG2 ILE 107 -6.845 -1.710 -9.740 829 2HG2 ILE 107 2HG2 ILE 107 -6.644 -3.287 -8.901 830 3HG2 ILE 107 3HG2 ILE 107 -6.709 -3.225 -10.697 831 1HD1 ILE 107 1HD1 ILE 107 -10.208 -4.165 -11.709 832 2HD1 ILE 107 2HD1 ILE 107 -8.489 -4.620 -11.980 833 3HD1 ILE 107 3HD1 ILE 107 -9.665 -5.852 -11.408 834 H ALA 108 H ALA 108 -11.568 -3.470 -8.572 835 HA ALA 108 HA ALA 108 -13.069 -1.500 -9.968 836 1HB ALA 108 1HB ALA 108 -13.697 -3.864 -9.962 837 2HB ALA 108 2HB ALA 108 -13.968 -3.792 -8.184 838 3HB ALA 108 3HB ALA 108 -15.034 -2.862 -9.295 839 H ILE 109 H ILE 109 -12.622 0.445 -9.017 840 HA ILE 109 HA ILE 109 -14.157 1.172 -6.619 841 HB ILE 109 HB ILE 109 -12.247 2.729 -6.041 842 1HG1 ILE 109 1HG1 ILE 109 -10.244 0.881 -7.051 843 2HG1 ILE 109 2HG1 ILE 109 -11.054 1.768 -8.326 844 1HG2 ILE 109 1HG2 ILE 109 -12.858 0.830 -4.635 845 2HG2 ILE 109 2HG2 ILE 109 -11.883 -0.263 -5.680 846 3HG2 ILE 109 3HG2 ILE 109 -11.070 1.011 -4.704 847 1HD1 ILE 109 1HD1 ILE 109 -10.481 3.895 -7.241 848 2HD1 ILE 109 2HD1 ILE 109 -9.649 2.986 -5.933 849 3HD1 ILE 109 3HD1 ILE 109 -9.017 2.922 -7.614 Start of MODEL 9 1 1H GLN 1 1H GLN 1 -8.775 -16.305 0.812 2 2H GLN 1 2H GLN 1 -10.038 -16.486 1.867 3 3H GLN 1 3H GLN 1 -10.122 -15.356 0.657 4 HA GLN 1 HA GLN 1 -8.319 -14.147 1.614 5 1HB GLN 1 1HB GLN 1 -10.810 -14.620 3.156 6 2HB GLN 1 2HB GLN 1 -9.558 -13.612 3.851 7 1HG GLN 1 1HG GLN 1 -9.591 -12.164 1.897 8 2HG GLN 1 2HG GLN 1 -10.762 -13.208 1.114 9 1HE2 GLN 1 2HE2 GLN 1 -12.891 -13.022 1.563 10 2HE2 GLN 1 1HE2 GLN 1 -13.559 -11.856 2.682 11 HA PRO 2 HA PRO 2 -5.835 -16.813 4.062 12 1HB PRO 2 1HB PRO 2 -3.609 -15.203 4.084 13 2HB PRO 2 2HB PRO 2 -3.983 -16.396 2.856 14 1HG PRO 2 1HG PRO 2 -4.148 -13.461 2.685 15 2HG PRO 2 2HG PRO 2 -4.113 -14.636 1.385 16 1HD PRO 2 1HD PRO 2 -6.387 -13.256 2.394 17 2HD PRO 2 2HD PRO 2 -6.365 -14.507 1.167 18 H GLN 3 H GLN 3 -6.605 -16.870 6.105 19 HA GLN 3 HA GLN 3 -6.679 -14.438 7.693 20 1HB GLN 3 1HB GLN 3 -8.166 -16.723 7.683 21 2HB GLN 3 2HB GLN 3 -7.115 -16.986 9.058 22 1HG GLN 3 1HG GLN 3 -8.456 -15.659 10.263 23 2HG GLN 3 2HG GLN 3 -7.946 -14.318 9.258 24 1HE2 GLN 3 2HE2 GLN 3 -9.961 -13.291 9.487 25 2HE2 GLN 3 1HE2 GLN 3 -11.368 -13.853 8.614 26 H LYS 4 H LYS 4 -4.697 -17.323 7.400 27 HA LYS 4 HA LYS 4 -3.267 -17.099 9.808 28 1HB LYS 4 1HB LYS 4 -3.285 -18.825 7.667 29 2HB LYS 4 2HB LYS 4 -1.687 -18.111 7.606 30 1HG LYS 4 1HG LYS 4 -2.012 -18.598 10.291 31 2HG LYS 4 2HG LYS 4 -2.826 -19.967 9.562 32 1HD LYS 4 1HD LYS 4 -0.376 -19.523 8.168 33 2HD LYS 4 2HD LYS 4 -0.037 -19.568 9.886 34 1HE LYS 4 1HE LYS 4 -0.008 -21.809 9.607 35 2HE LYS 4 2HE LYS 4 -1.755 -21.668 9.624 36 1HZ LYS 4 1HZ LYS 4 -1.715 -21.488 7.251 37 2HZ LYS 4 2HZ LYS 4 -0.063 -21.621 7.234 38 3HZ LYS 4 3HZ LYS 4 -0.993 -22.897 7.735 39 H CYS 5 H CYS 5 -2.090 -16.202 6.547 40 HA CYS 5 HA CYS 5 0.088 -14.672 7.435 41 1HB CYS 5 1HB CYS 5 0.232 -14.978 5.179 42 2HB CYS 5 2HB CYS 5 -1.496 -14.814 4.943 43 H GLN 6 H GLN 6 -3.347 -13.794 6.986 44 HA GLN 6 HA GLN 6 -3.112 -11.051 7.424 45 1HB GLN 6 1HB GLN 6 -5.203 -13.058 7.596 46 2HB GLN 6 2HB GLN 6 -5.447 -11.692 8.665 47 1HG GLN 6 1HG GLN 6 -4.610 -10.606 6.224 48 2HG GLN 6 2HG GLN 6 -5.776 -11.848 5.814 49 1HE2 GLN 6 2HE2 GLN 6 -6.405 -9.342 5.152 50 2HE2 GLN 6 1HE2 GLN 6 -7.658 -8.722 6.202 51 H ARG 7 H ARG 7 -2.630 -13.617 9.634 52 HA ARG 7 HA ARG 7 -2.623 -11.817 11.938 53 1HB ARG 7 1HB ARG 7 -3.542 -14.410 11.614 54 2HB ARG 7 2HB ARG 7 -2.027 -14.594 12.476 55 1HG ARG 7 1HG ARG 7 -3.442 -12.383 13.594 56 2HG ARG 7 2HG ARG 7 -4.532 -13.751 13.509 57 1HD ARG 7 1HD ARG 7 -2.489 -15.051 14.517 58 2HD ARG 7 2HD ARG 7 -1.989 -13.455 15.038 59 HE ARG 7 HE ARG 7 -4.574 -13.540 15.871 60 1HH1 ARG 7 1HH2 ARG 7 -1.906 -15.754 16.328 61 2HH1 ARG 7 2HH2 ARG 7 -2.519 -16.334 17.860 62 1HH2 ARG 7 1HH1 ARG 7 -5.330 -14.311 17.832 63 2HH2 ARG 7 2HH1 ARG 7 -4.424 -15.532 18.697 64 H GLU 8 H GLU 8 -0.501 -12.867 9.641 65 HA GLU 8 HA GLU 8 1.795 -12.790 11.474 66 1HB GLU 8 1HB GLU 8 1.132 -14.554 9.326 67 2HB GLU 8 2HB GLU 8 2.628 -13.714 8.969 68 1HG GLU 8 1HG GLU 8 2.956 -14.356 11.613 69 2HG GLU 8 2HG GLU 8 2.064 -15.740 11.012 70 H PHE 9 H PHE 9 0.225 -11.267 8.828 71 HA PHE 9 HA PHE 9 2.509 -9.736 7.934 72 1HB PHE 9 1HB PHE 9 1.020 -10.152 6.216 73 2HB PHE 9 2HB PHE 9 -0.378 -10.022 7.265 74 HD1 PHE 9 1HD PHE 9 -1.025 -7.658 8.116 75 HD2 PHE 9 2HD PHE 9 1.497 -8.419 4.730 76 HE1 PHE 9 1HE PHE 9 -1.306 -5.301 7.392 77 HE2 PHE 9 2HE PHE 9 1.171 -6.092 3.971 78 HZ PHE 9 HZ PHE 9 -0.235 -4.531 5.285 79 H GLN 10 H GLN 10 -0.421 -9.335 9.916 80 HA GLN 10 HA GLN 10 0.341 -6.554 10.471 81 1HB GLN 10 1HB GLN 10 -1.928 -6.650 9.939 82 2HB GLN 10 2HB GLN 10 -2.171 -8.132 10.843 83 1HG GLN 10 1HG GLN 10 -2.122 -7.018 12.910 84 2HG GLN 10 2HG GLN 10 -1.357 -5.598 12.228 85 1HE2 GLN 10 2HE2 GLN 10 -4.314 -7.542 12.034 86 2HE2 GLN 10 1HE2 GLN 10 -5.392 -6.191 11.764 87 H GLN 11 H GLN 11 0.847 -9.653 11.686 88 HA GLN 11 HA GLN 11 0.560 -9.365 14.429 89 1HB GLN 11 1HB GLN 11 1.522 -11.282 12.774 90 2HB GLN 11 2HB GLN 11 2.988 -10.753 13.576 91 1HG GLN 11 1HG GLN 11 0.900 -10.973 15.516 92 2HG GLN 11 2HG GLN 11 0.977 -12.462 14.595 93 1HE2 GLN 11 2HE2 GLN 11 3.196 -13.369 14.249 94 2HE2 GLN 11 1HE2 GLN 11 4.276 -13.330 15.624 95 H GLU 12 H GLU 12 3.463 -8.717 12.475 96 HA GLU 12 HA GLU 12 4.215 -6.436 13.966 97 1HB GLU 12 1HB GLU 12 6.406 -7.623 14.836 98 2HB GLU 12 2HB GLU 12 4.957 -7.515 15.816 99 1HG GLU 12 1HG GLU 12 4.368 -9.755 15.390 100 2HG GLU 12 2HG GLU 12 5.468 -9.871 14.030 101 H GLN 13 H GLN 13 3.916 -7.373 11.262 102 HA GLN 13 HA GLN 13 6.439 -6.392 10.243 103 1HB GLN 13 1HB GLN 13 5.711 -9.241 10.051 104 2HB GLN 13 2HB GLN 13 6.352 -8.492 8.602 105 1HG GLN 13 1HG GLN 13 8.209 -7.587 10.139 106 2HG GLN 13 2HG GLN 13 7.658 -8.793 11.284 107 1HE2 GLN 13 2HE2 GLN 13 9.466 -8.163 8.439 108 2HE2 GLN 13 1HE2 GLN 13 9.969 -9.808 8.123 109 H HIS 14 H HIS 14 4.191 -5.013 10.154 110 HA HIS 14 HA HIS 14 2.562 -5.655 7.872 111 1HB HIS 14 1HB HIS 14 2.495 -2.917 8.877 112 2HB HIS 14 2HB HIS 14 1.188 -4.046 8.586 113 HD1 HIS 14 1HD HIS 14 1.578 -2.162 11.185 114 HD2 HIS 14 2HD HIS 14 2.389 -6.267 10.824 115 HE1 HIS 14 1HE HIS 14 1.459 -3.138 13.555 116 HE2 HIS 14 2HE HIS 14 2.081 -5.611 13.332 117 H LEU 15 H LEU 15 2.400 -2.921 6.871 118 HA LEU 15 HA LEU 15 4.990 -2.773 5.465 119 1HB LEU 15 1HB LEU 15 2.419 -2.037 4.156 120 2HB LEU 15 2HB LEU 15 3.962 -2.419 3.420 121 HG LEU 15 HG LEU 15 1.927 -4.268 4.562 122 1HD1 LEU 15 1HD1 LEU 15 1.630 -3.660 2.236 123 2HD1 LEU 15 2HD1 LEU 15 3.325 -4.151 1.885 124 3HD1 LEU 15 3HD1 LEU 15 2.114 -5.386 2.378 125 1HD2 LEU 15 1HD2 LEU 15 4.767 -5.018 3.876 126 2HD2 LEU 15 2HD2 LEU 15 4.020 -5.032 5.513 127 3HD2 LEU 15 3HD2 LEU 15 3.433 -6.165 4.246 128 H ARG 16 H ARG 16 5.323 -0.619 4.411 129 HA ARG 16 HA ARG 16 4.065 1.605 5.817 130 1HB ARG 16 1HB ARG 16 6.897 0.787 6.225 131 2HB ARG 16 2HB ARG 16 6.486 2.489 6.204 132 1HG ARG 16 1HG ARG 16 4.591 1.118 7.824 133 2HG ARG 16 2HG ARG 16 6.202 0.656 8.337 134 1HD ARG 16 1HD ARG 16 5.961 3.515 7.844 135 2HD ARG 16 2HD ARG 16 4.867 2.951 9.089 136 HE ARG 16 HE ARG 16 7.721 3.209 9.295 137 1HH1 ARG 16 1HH2 ARG 16 5.030 1.258 10.409 138 2HH1 ARG 16 2HH2 ARG 16 5.874 0.737 11.849 139 1HH2 ARG 16 1HH1 ARG 16 8.771 2.504 11.142 140 2HH2 ARG 16 2HH1 ARG 16 7.955 1.430 12.256 141 H ALA 17 H ALA 17 7.160 1.285 4.087 142 HA ALA 17 HA ALA 17 7.062 3.436 2.522 143 1HB ALA 17 1HB ALA 17 8.911 1.852 2.552 144 2HB ALA 17 2HB ALA 17 7.901 0.657 1.666 145 3HB ALA 17 3HB ALA 17 8.393 2.188 0.864 146 H CYS 18 H CYS 18 5.629 0.344 1.459 147 HA CYS 18 HA CYS 18 4.360 1.216 -0.814 148 1HB CYS 18 1HB CYS 18 4.572 -1.152 0.404 149 2HB CYS 18 2HB CYS 18 2.909 -0.757 0.786 150 H GLN 19 H GLN 19 2.903 0.867 2.416 151 HA GLN 19 HA GLN 19 0.729 2.584 1.660 152 1HB GLN 19 1HB GLN 19 -0.140 2.118 3.818 153 2HB GLN 19 2HB GLN 19 0.439 0.637 3.081 154 1HG GLN 19 1HG GLN 19 1.354 0.352 5.121 155 2HG GLN 19 2HG GLN 19 2.634 1.313 4.410 156 1HE2 GLN 19 2HE2 GLN 19 -0.453 1.713 6.099 157 2HE2 GLN 19 1HE2 GLN 19 0.075 3.009 7.151 158 H GLN 20 H GLN 20 3.286 3.879 1.469 159 HA GLN 20 HA GLN 20 2.887 6.036 3.393 160 1HB GLN 20 1HB GLN 20 5.419 4.487 3.089 161 2HB GLN 20 2HB GLN 20 5.466 6.196 3.476 162 1HG GLN 20 1HG GLN 20 3.560 4.810 5.133 163 2HG GLN 20 2HG GLN 20 5.148 4.079 5.257 164 1HE2 GLN 20 2HE2 GLN 20 3.323 5.883 6.991 165 2HE2 GLN 20 1HE2 GLN 20 4.439 7.103 7.563 166 H TRP 21 H TRP 21 4.797 4.909 0.577 167 HA TRP 21 HA TRP 21 5.392 7.397 -0.473 168 1HB TRP 21 1HB TRP 21 5.651 6.291 -2.561 169 2HB TRP 21 2HB TRP 21 6.245 5.254 -1.279 170 HD1 TRP 21 HD TRP 21 5.389 2.819 -1.314 171 HE1 TRP 21 1HE TRP 21 3.568 1.512 -2.605 172 HE3 TRP 21 3HE TRP 21 3.267 6.752 -3.689 173 HZ2 TRP 21 2HZ TRP 21 1.395 2.157 -4.334 174 HZ3 TRP 21 3HZ TRP 21 1.336 6.380 -5.189 175 HH2 TRP 21 HH TRP 21 0.449 4.100 -5.560 176 H ILE 22 H ILE 22 2.355 5.772 -0.216 177 HA ILE 22 HA ILE 22 0.956 7.197 -2.235 178 HB ILE 22 HB ILE 22 -0.357 6.135 0.210 179 1HG1 ILE 22 1HG1 ILE 22 1.134 4.562 -1.818 180 2HG1 ILE 22 2HG1 ILE 22 1.007 4.317 -0.088 181 1HG2 ILE 22 1HG2 ILE 22 -1.734 7.235 -1.482 182 2HG2 ILE 22 2HG2 ILE 22 -1.072 6.134 -2.739 183 3HG2 ILE 22 3HG2 ILE 22 -2.099 5.476 -1.418 184 1HD1 ILE 22 1HD1 ILE 22 -1.306 3.515 -0.348 185 2HD1 ILE 22 2HD1 ILE 22 -1.175 3.766 -2.124 186 3HD1 ILE 22 3HD1 ILE 22 -0.149 2.533 -1.313 187 H ARG 23 H ARG 23 1.907 7.946 1.029 188 HA ARG 23 HA ARG 23 0.287 10.355 1.119 189 1HB ARG 23 1HB ARG 23 0.821 10.487 3.346 190 2HB ARG 23 2HB ARG 23 0.817 8.756 3.076 191 1HG ARG 23 1HG ARG 23 3.423 9.551 2.491 192 2HG ARG 23 2HG ARG 23 2.988 10.479 3.912 193 1HD ARG 23 1HD ARG 23 2.080 7.827 4.302 194 2HD ARG 23 2HD ARG 23 3.743 7.751 3.756 195 HE ARG 23 HE ARG 23 2.773 8.758 6.280 196 1HH1 ARG 23 1HH2 ARG 23 5.376 9.060 3.945 197 2HH1 ARG 23 2HH2 ARG 23 6.519 9.613 5.149 198 1HH2 ARG 23 1HH1 ARG 23 4.252 9.434 7.781 199 2HH2 ARG 23 2HH1 ARG 23 5.888 9.824 7.301 200 H GLN 24 H GLN 24 3.430 9.382 0.133 201 HA GLN 24 HA GLN 24 4.656 11.958 0.539 202 1HB GLN 24 1HB GLN 24 5.459 9.371 -0.664 203 2HB GLN 24 2HB GLN 24 6.361 10.811 -1.090 204 1HG GLN 24 1HG GLN 24 6.045 10.946 1.681 205 2HG GLN 24 2HG GLN 24 6.429 9.270 1.350 206 1HE2 GLN 24 2HE2 GLN 24 8.060 11.086 2.762 207 2HE2 GLN 24 1HE2 GLN 24 9.550 11.255 1.863 208 H GLN 25 H GLN 25 2.267 11.002 -1.477 209 HA GLN 25 HA GLN 25 3.211 12.432 -3.828 210 1HB GLN 25 1HB GLN 25 1.168 11.714 -4.848 211 2HB GLN 25 2HB GLN 25 1.892 10.357 -4.009 212 1HG GLN 25 1HG GLN 25 -0.114 10.065 -3.086 213 2HG GLN 25 2HG GLN 25 0.287 11.448 -2.088 214 1HE2 GLN 25 2HE2 GLN 25 -2.341 10.543 -2.826 215 2HE2 GLN 25 1HE2 GLN 25 -3.085 11.848 -3.722 216 H LEU 26 H LEU 26 1.802 13.248 -0.892 217 HA LEU 26 HA LEU 26 0.649 15.695 -2.048 218 1HB LEU 26 1HB LEU 26 -0.254 14.996 0.627 219 2HB LEU 26 2HB LEU 26 -1.156 15.579 -0.758 220 HG LEU 26 HG LEU 26 -0.763 13.118 -1.595 221 1HD1 LEU 26 1HD1 LEU 26 0.627 12.431 0.273 222 2HD1 LEU 26 2HD1 LEU 26 -0.702 12.843 1.412 223 3HD1 LEU 26 3HD1 LEU 26 -0.909 11.496 0.240 224 1HD2 LEU 26 1HD2 LEU 26 -2.859 13.842 0.462 225 2HD2 LEU 26 2HD2 LEU 26 -2.961 14.134 -1.309 226 3HD2 LEU 26 3HD2 LEU 26 -2.937 12.452 -0.676 227 H ALA 27 H ALA 27 0.548 17.456 -0.218 228 HA ALA 27 HA ALA 27 3.311 17.859 0.593 229 1HB ALA 27 1HB ALA 27 2.049 19.682 -0.425 230 2HB ALA 27 2HB ALA 27 0.826 19.574 0.889 231 3HB ALA 27 3HB ALA 27 2.503 20.102 1.264 232 H GLY 28 H GLY 28 1.076 15.951 1.879 233 1HA GLY 28 1HA GLY 28 1.359 16.781 4.674 234 2HA GLY 28 2HA GLY 28 0.321 15.516 4.049 235 H SER 29 H SER 29 3.717 16.393 4.610 236 HA SER 29 HA SER 29 4.226 13.643 5.453 237 1HB SER 29 1HB SER 29 5.290 13.038 3.618 238 2HB SER 29 2HB SER 29 5.046 14.625 2.916 239 HG SER 29 HG SER 29 7.249 14.047 3.028 240 HA PRO 30 HA PRO 30 6.654 15.779 8.370 241 1HB PRO 30 1HB PRO 30 8.252 13.725 9.269 242 2HB PRO 30 2HB PRO 30 6.618 14.040 9.817 243 1HG PRO 30 1HG PRO 30 7.587 11.909 8.041 244 2HG PRO 30 2HG PRO 30 6.068 12.009 8.908 245 1HD PRO 30 1HD PRO 30 6.515 12.504 6.135 246 2HD PRO 30 2HD PRO 30 5.010 12.669 7.016 247 H PHE 31 H PHE 31 9.191 15.667 9.145 248 HA PHE 31 HA PHE 31 11.006 15.480 6.898 249 1HB PHE 31 1HB PHE 31 10.555 18.200 8.061 250 2HB PHE 31 2HB PHE 31 11.468 17.769 6.629 251 HD1 PHE 31 1HD PHE 31 10.297 17.153 4.520 252 HD2 PHE 31 2HD PHE 31 8.186 18.595 7.999 253 HE1 PHE 31 1HE PHE 31 8.249 17.488 3.138 254 HE2 PHE 31 2HE PHE 31 6.213 19.124 6.573 255 HZ PHE 31 HZ PHE 31 6.234 18.553 4.145 256 H SER 32 H SER 32 12.388 14.263 8.142 257 HA SER 32 HA SER 32 13.620 15.707 10.412 258 1HB SER 32 1HB SER 32 12.058 13.460 10.692 259 2HB SER 32 2HB SER 32 13.687 12.815 10.679 260 HG SER 32 HG SER 32 13.001 13.418 12.790 261 H GLU 33 H GLU 33 15.484 13.592 10.941 262 HA GLU 33 HA GLU 33 17.127 13.722 8.489 263 1HB GLU 33 1HB GLU 33 17.700 14.930 10.855 264 2HB GLU 33 2HB GLU 33 18.552 13.408 11.019 265 1HG GLU 33 1HG GLU 33 19.066 14.231 8.404 266 2HG GLU 33 2HG GLU 33 19.194 15.692 9.365 267 H ASN 34 H ASN 34 15.932 11.706 7.977 268 HA ASN 34 HA ASN 34 17.542 9.460 8.231 269 1HB ASN 34 1HB ASN 34 17.059 9.269 10.564 270 2HB ASN 34 2HB ASN 34 15.355 9.579 10.298 271 1HD2 ASN 34 2HD2 ASN 34 15.213 7.613 11.652 272 2HD2 ASN 34 1HD2 ASN 34 15.265 6.065 10.841 273 H GLN 35 H GLN 35 17.020 8.877 6.195 274 HA GLN 35 HA GLN 35 14.569 9.132 4.958 275 1HB GLN 35 1HB GLN 35 15.333 7.563 3.335 276 2HB GLN 35 2HB GLN 35 16.701 8.529 3.850 277 1HG GLN 35 1HG GLN 35 16.103 5.877 5.120 278 2HG GLN 35 2HG GLN 35 17.034 5.984 3.639 279 1HE2 GLN 35 2HE2 GLN 35 18.217 4.816 5.737 280 2HE2 GLN 35 1HE2 GLN 35 19.464 5.855 6.390 281 H TRP 36 H TRP 36 12.753 7.917 4.670 282 HA TRP 36 HA TRP 36 12.496 5.557 6.435 283 1HB TRP 36 1HB TRP 36 10.185 6.191 6.839 284 2HB TRP 36 2HB TRP 36 11.324 7.386 7.424 285 HD1 TRP 36 HD TRP 36 9.435 6.985 4.040 286 HE1 TRP 36 1HE TRP 36 8.444 9.273 3.380 287 HE3 TRP 36 3HE TRP 36 10.964 9.600 8.121 288 HZ2 TRP 36 2HZ TRP 36 8.304 11.891 4.525 289 HZ3 TRP 36 3HZ TRP 36 10.385 12.015 8.314 290 HH2 TRP 36 HH TRP 36 9.147 13.144 6.501 291 H GLY 37 H GLY 37 13.279 5.849 3.601 292 1HA GLY 37 1HA GLY 37 12.542 3.845 2.199 293 2HA GLY 37 2HA GLY 37 10.966 4.609 2.238 294 HA PRO 38 HA PRO 38 12.095 7.218 -1.045 295 1HB PRO 38 1HB PRO 38 11.196 9.724 -0.357 296 2HB PRO 38 2HB PRO 38 10.190 8.429 -0.978 297 1HG PRO 38 1HG PRO 38 10.407 9.440 1.784 298 2HG PRO 38 2HG PRO 38 9.127 8.483 1.064 299 1HD PRO 38 1HD PRO 38 11.179 7.581 2.792 300 2HD PRO 38 2HD PRO 38 9.975 6.606 1.974 301 H GLN 39 H GLN 39 14.323 7.048 -0.998 302 HA GLN 39 HA GLN 39 15.827 8.950 0.615 303 1HB GLN 39 1HB GLN 39 16.378 6.492 -0.814 304 2HB GLN 39 2HB GLN 39 17.592 7.716 -1.125 305 1HG GLN 39 1HG GLN 39 17.577 8.067 1.434 306 2HG GLN 39 2HG GLN 39 16.772 6.514 1.496 307 1HE2 GLN 39 2HE2 GLN 39 18.766 6.054 2.821 308 2HE2 GLN 39 1HE2 GLN 39 20.166 5.463 1.955 309 H GLN 40 H GLN 40 15.357 8.244 -2.847 310 HA GLN 40 HA GLN 40 16.236 11.013 -3.418 311 1HB GLN 40 1HB GLN 40 16.682 8.440 -4.787 312 2HB GLN 40 2HB GLN 40 16.400 9.829 -5.816 313 1HG GLN 40 1HG GLN 40 18.218 10.500 -3.678 314 2HG GLN 40 2HG GLN 40 18.807 9.115 -4.574 315 1HE2 GLN 40 2HE2 GLN 40 20.300 9.758 -5.978 316 2HE2 GLN 40 1HE2 GLN 40 20.162 11.140 -7.040 317 H GLY 41 H GLY 41 13.560 8.966 -3.279 318 1HA GLY 41 1HA GLY 41 11.414 10.183 -3.642 319 2HA GLY 41 2HA GLY 41 12.053 10.638 -5.208 320 HA PRO 42 HA PRO 42 10.729 6.834 -6.888 321 1HB PRO 42 1HB PRO 42 12.864 5.757 -8.245 322 2HB PRO 42 2HB PRO 42 11.849 7.055 -8.842 323 1HG PRO 42 1HG PRO 42 14.602 7.191 -7.802 324 2HG PRO 42 2HG PRO 42 13.741 8.359 -8.782 325 1HD PRO 42 1HD PRO 42 14.217 8.481 -5.980 326 2HD PRO 42 2HD PRO 42 13.274 9.598 -6.945 327 H SER 43 H SER 43 13.363 6.685 -4.732 328 HA SER 43 HA SER 43 13.590 3.845 -4.537 329 1HB SER 43 1HB SER 43 14.349 5.467 -2.207 330 2HB SER 43 2HB SER 43 15.259 4.242 -3.068 331 HG SER 43 HG SER 43 16.163 6.345 -3.319 332 H LEU 44 H LEU 44 11.179 3.488 -4.477 333 HA LEU 44 HA LEU 44 10.359 2.923 -1.806 334 1HB LEU 44 1HB LEU 44 9.795 5.529 -2.691 335 2HB LEU 44 2HB LEU 44 8.288 4.646 -2.827 336 HG LEU 44 HG LEU 44 9.964 4.774 -0.333 337 1HD1 LEU 44 1HD1 LEU 44 9.024 6.984 -0.867 338 2HD1 LEU 44 2HD1 LEU 44 7.397 6.237 -1.035 339 3HD1 LEU 44 3HD1 LEU 44 8.215 6.261 0.566 340 1HD2 LEU 44 1HD2 LEU 44 7.174 3.748 -0.853 341 2HD2 LEU 44 2HD2 LEU 44 8.633 2.746 -0.535 342 3HD2 LEU 44 3HD2 LEU 44 7.988 3.826 0.750 343 H ARG 45 H ARG 45 9.512 3.427 -5.223 344 HA ARG 45 HA ARG 45 7.343 1.582 -5.250 345 1HB ARG 45 1HB ARG 45 8.752 3.207 -7.135 346 2HB ARG 45 2HB ARG 45 8.545 1.595 -7.792 347 1HG ARG 45 1HG ARG 45 6.667 3.215 -8.282 348 2HG ARG 45 2HG ARG 45 6.182 1.701 -7.547 349 1HD ARG 45 1HD ARG 45 5.225 2.808 -5.853 350 2HD ARG 45 2HD ARG 45 6.756 3.564 -5.463 351 HE ARG 45 HE ARG 45 4.536 4.731 -6.941 352 1HH1 ARG 45 1HH2 ARG 45 7.945 4.983 -6.164 353 2HH1 ARG 45 2HH2 ARG 45 8.021 6.675 -6.606 354 1HH2 ARG 45 1HH1 ARG 45 4.675 6.876 -7.509 355 2HH2 ARG 45 2HH1 ARG 45 6.194 7.731 -7.357 356 H GLU 46 H GLU 46 10.792 1.212 -5.457 357 HA GLU 46 HA GLU 46 10.568 -1.582 -6.283 358 1HB GLU 46 1HB GLU 46 12.694 0.418 -6.106 359 2HB GLU 46 2HB GLU 46 13.188 -1.187 -5.610 360 1HG GLU 46 1HG GLU 46 11.750 -1.724 -7.875 361 2HG GLU 46 2HG GLU 46 12.488 -0.187 -8.279 362 H GLN 47 H GLN 47 11.107 0.327 -3.390 363 HA GLN 47 HA GLN 47 11.998 -1.856 -1.768 364 1HB GLN 47 1HB GLN 47 11.601 0.941 -1.456 365 2HB GLN 47 2HB GLN 47 10.715 0.118 -0.188 366 1HG GLN 47 1HG GLN 47 12.780 -1.190 0.333 367 2HG GLN 47 2HG GLN 47 13.643 -0.225 -0.848 368 1HE2 GLN 47 2HE2 GLN 47 11.228 0.525 1.688 369 2HE2 GLN 47 1HE2 GLN 47 12.174 1.781 2.455 370 H CYS 48 H CYS 48 8.821 -0.288 -2.324 371 HA CYS 48 HA CYS 48 7.377 -1.898 -0.509 372 1HB CYS 48 1HB CYS 48 6.065 -0.166 -1.167 373 2HB CYS 48 2HB CYS 48 6.724 -0.147 -2.789 374 H CYS 49 H CYS 49 8.260 -2.353 -3.946 375 HA CYS 49 HA CYS 49 6.846 -4.786 -4.255 376 1HB CYS 49 1HB CYS 49 8.640 -3.184 -5.764 377 2HB CYS 49 2HB CYS 49 9.142 -4.860 -5.852 378 H ASN 50 H ASN 50 9.543 -4.034 -2.363 379 HA ASN 50 HA ASN 50 10.299 -6.863 -2.104 380 1HB ASN 50 1HB ASN 50 11.809 -4.431 -2.283 381 2HB ASN 50 2HB ASN 50 12.126 -5.219 -0.750 382 1HD2 ASN 50 2HD2 ASN 50 11.276 -6.654 -3.883 383 2HD2 ASN 50 1HD2 ASN 50 12.741 -7.593 -4.055 384 H GLU 51 H GLU 51 8.585 -4.381 -0.635 385 HA GLU 51 HA GLU 51 8.997 -5.449 2.059 386 1HB GLU 51 1HB GLU 51 8.954 -3.381 2.829 387 2HB GLU 51 2HB GLU 51 8.979 -2.824 1.167 388 1HG GLU 51 1HG GLU 51 6.563 -2.774 1.102 389 2HG GLU 51 2HG GLU 51 6.472 -3.473 2.706 390 H LEU 52 H LEU 52 6.848 -5.328 -0.570 391 HA LEU 52 HA LEU 52 4.567 -6.038 1.114 392 1HB LEU 52 1HB LEU 52 3.260 -5.012 -0.350 393 2HB LEU 52 2HB LEU 52 4.744 -4.271 -0.914 394 HG LEU 52 HG LEU 52 3.616 -4.926 -2.821 395 1HD1 LEU 52 1HD1 LEU 52 5.956 -5.541 -2.969 396 2HD1 LEU 52 2HD1 LEU 52 5.574 -7.155 -2.273 397 3HD1 LEU 52 3HD1 LEU 52 4.923 -6.695 -3.884 398 1HD2 LEU 52 1HD2 LEU 52 3.119 -7.590 -1.505 399 2HD2 LEU 52 2HD2 LEU 52 1.917 -6.283 -1.789 400 3HD2 LEU 52 3HD2 LEU 52 2.650 -7.150 -3.183 401 H TYR 53 H TYR 53 7.012 -7.325 -0.872 402 HA TYR 53 HA TYR 53 5.486 -9.730 -1.604 403 1HB TYR 53 1HB TYR 53 7.357 -8.197 -2.910 404 2HB TYR 53 2HB TYR 53 8.324 -9.515 -2.277 405 HD1 TYR 53 1HD TYR 53 8.752 -11.225 -3.758 406 HD2 TYR 53 2HD TYR 53 4.996 -9.114 -3.975 407 HE1 TYR 53 1HE TYR 53 8.055 -12.665 -5.677 408 HE2 TYR 53 2HE TYR 53 4.281 -10.566 -5.871 409 HH TYR 53 HH TYR 53 4.869 -12.236 -7.233 410 H GLN 54 H GLN 54 8.073 -8.486 0.419 411 HA GLN 54 HA GLN 54 9.328 -10.836 1.188 412 1HB GLN 54 1HB GLN 54 9.751 -9.653 3.354 413 2HB GLN 54 2HB GLN 54 10.218 -8.771 1.914 414 1HG GLN 54 1HG GLN 54 8.321 -7.348 2.059 415 2HG GLN 54 2HG GLN 54 7.570 -8.362 3.274 416 1HE2 GLN 54 2HE2 GLN 54 10.897 -7.112 2.950 417 2HE2 GLN 54 1HE2 GLN 54 10.921 -6.274 4.486 418 H GLU 55 H GLU 55 6.178 -9.623 2.074 419 HA GLU 55 HA GLU 55 5.828 -11.564 4.184 420 1HB GLU 55 1HB GLU 55 3.857 -9.709 2.898 421 2HB GLU 55 2HB GLU 55 3.592 -10.644 4.356 422 1HG GLU 55 1HG GLU 55 6.003 -9.144 4.626 423 2HG GLU 55 2HG GLU 55 4.705 -8.074 4.138 424 H ASP 56 H ASP 56 6.239 -12.198 1.162 425 HA ASP 56 HA ASP 56 5.731 -13.969 -0.142 426 1HB ASP 56 1HB ASP 56 4.999 -14.935 2.197 427 2HB ASP 56 2HB ASP 56 3.392 -14.725 1.536 428 H GLN 57 H GLN 57 3.409 -14.992 -1.084 429 HA GLN 57 HA GLN 57 2.150 -12.661 -2.291 430 1HB GLN 57 1HB GLN 57 2.369 -15.544 -2.879 431 2HB GLN 57 2HB GLN 57 0.886 -14.761 -3.389 432 1HG GLN 57 1HG GLN 57 2.350 -14.509 -5.217 433 2HG GLN 57 2HG GLN 57 2.381 -12.957 -4.403 434 1HE2 GLN 57 2HE2 GLN 57 4.151 -15.729 -5.373 435 2HE2 GLN 57 1HE2 GLN 57 5.718 -15.218 -4.786 436 H VAL 58 H VAL 58 1.512 -15.018 0.167 437 HA VAL 58 HA VAL 58 -1.334 -14.691 0.192 438 HB VAL 58 HB VAL 58 0.041 -15.587 2.631 439 1HG1 VAL 58 1HG1 VAL 58 -2.398 -15.792 2.347 440 2HG1 VAL 58 2HG1 VAL 58 -2.130 -16.782 0.870 441 3HG1 VAL 58 3HG1 VAL 58 -1.621 -17.408 2.478 442 1HG2 VAL 58 1HG2 VAL 58 0.203 -17.183 0.045 443 2HG2 VAL 58 2HG2 VAL 58 1.596 -16.454 0.917 444 3HG2 VAL 58 3HG2 VAL 58 0.654 -17.782 1.680 445 H CYS 59 H CYS 59 1.129 -12.637 0.949 446 HA CYS 59 HA CYS 59 -0.572 -11.105 2.796 447 1HB CYS 59 1HB CYS 59 2.392 -11.198 2.617 448 2HB CYS 59 2HB CYS 59 1.466 -10.129 3.651 449 H VAL 60 H VAL 60 0.012 -11.341 -0.288 450 HA VAL 60 HA VAL 60 0.764 -8.604 -0.871 451 HB VAL 60 HB VAL 60 0.371 -11.080 -2.309 452 1HG1 VAL 60 1HG1 VAL 60 -1.480 -9.907 -3.335 453 2HG1 VAL 60 2HG1 VAL 60 -0.406 -8.505 -3.680 454 3HG1 VAL 60 3HG1 VAL 60 -0.118 -10.081 -4.497 455 1HG2 VAL 60 1HG2 VAL 60 2.084 -8.661 -2.816 456 2HG2 VAL 60 2HG2 VAL 60 2.562 -10.162 -1.950 457 3HG2 VAL 60 3HG2 VAL 60 2.179 -10.221 -3.706 458 H CYS 61 H CYS 61 -2.134 -10.465 -0.370 459 HA CYS 61 HA CYS 61 -3.784 -8.341 0.045 460 1HB CYS 61 1HB CYS 61 -3.463 -8.886 -2.804 461 2HB CYS 61 2HB CYS 61 -5.122 -8.815 -2.244 462 HA PRO 62 HA PRO 62 -5.943 -7.990 -0.404 463 1HB PRO 62 1HB PRO 62 -7.948 -7.862 1.447 464 2HB PRO 62 2HB PRO 62 -8.180 -8.247 -0.246 465 1HG PRO 62 1HG PRO 62 -8.255 -10.044 2.085 466 2HG PRO 62 2HG PRO 62 -8.891 -10.308 0.474 467 1HD PRO 62 1HD PRO 62 -6.475 -11.369 1.572 468 2HD PRO 62 2HD PRO 62 -7.073 -11.567 -0.064 469 H THR 63 H THR 63 -4.438 -9.668 1.932 470 HA THR 63 HA THR 63 -4.314 -8.351 4.265 471 HB THR 63 HB THR 63 -1.732 -8.979 2.925 472 HG1 THR 63 1HG THR 63 -2.377 -11.203 3.162 473 1HG2 THR 63 1HG2 THR 63 -1.859 -8.484 5.379 474 2HG2 THR 63 2HG2 THR 63 -3.021 -9.848 5.537 475 3HG2 THR 63 3HG2 THR 63 -1.326 -10.165 5.028 476 H LEU 64 H LEU 64 -2.541 -7.265 1.337 477 HA LEU 64 HA LEU 64 -1.337 -5.003 2.331 478 1HB LEU 64 1HB LEU 64 -1.830 -6.079 -0.155 479 2HB LEU 64 2HB LEU 64 -2.596 -4.504 -0.224 480 HG LEU 64 HG LEU 64 0.138 -4.594 0.877 481 1HD1 LEU 64 1HD1 LEU 64 0.346 -6.158 -0.990 482 2HD1 LEU 64 2HD1 LEU 64 -0.430 -4.954 -2.076 483 3HD1 LEU 64 3HD1 LEU 64 1.180 -4.608 -1.353 484 1HD2 LEU 64 1HD2 LEU 64 -1.280 -2.760 -1.080 485 2HD2 LEU 64 2HD2 LEU 64 -1.089 -2.481 0.685 486 3HD2 LEU 64 3HD2 LEU 64 0.355 -2.486 -0.385 487 H LYS 65 H LYS 65 -4.730 -5.321 1.285 488 HA LYS 65 HA LYS 65 -5.726 -2.832 1.538 489 1HB LYS 65 1HB LYS 65 -7.055 -4.862 1.049 490 2HB LYS 65 2HB LYS 65 -7.038 -5.243 2.759 491 1HG LYS 65 1HG LYS 65 -7.874 -2.507 2.211 492 2HG LYS 65 2HG LYS 65 -8.927 -3.703 1.482 493 1HD LYS 65 1HD LYS 65 -8.080 -3.955 4.354 494 2HD LYS 65 2HD LYS 65 -9.436 -2.938 3.908 495 1HE LYS 65 1HE LYS 65 -9.228 -5.835 3.098 496 2HE LYS 65 2HE LYS 65 -10.034 -5.313 4.563 497 1HZ LYS 65 1HZ LYS 65 -11.488 -3.976 3.231 498 2HZ LYS 65 2HZ LYS 65 -10.726 -4.471 1.846 499 3HZ LYS 65 3HZ LYS 65 -11.569 -5.563 2.761 500 H GLN 66 H GLN 66 -4.880 -4.929 4.277 501 HA GLN 66 HA GLN 66 -5.610 -3.229 6.332 502 1HB GLN 66 1HB GLN 66 -4.544 -5.669 6.268 503 2HB GLN 66 2HB GLN 66 -3.112 -4.747 6.676 504 1HG GLN 66 1HG GLN 66 -4.346 -5.539 8.676 505 2HG GLN 66 2HG GLN 66 -4.218 -3.792 8.604 506 1HE2 GLN 66 2HE2 GLN 66 -6.043 -2.525 8.394 507 2HE2 GLN 66 1HE2 GLN 66 -7.667 -3.175 8.357 508 H ALA 67 H ALA 67 -2.267 -3.560 5.057 509 HA ALA 67 HA ALA 67 -1.242 -1.303 6.320 510 1HB ALA 67 1HB ALA 67 0.137 -2.989 5.215 511 2HB ALA 67 2HB ALA 67 -0.530 -2.486 3.623 512 3HB ALA 67 3HB ALA 67 0.493 -1.350 4.567 513 H ALA 68 H ALA 68 -3.391 -1.508 3.574 514 HA ALA 68 HA ALA 68 -2.982 1.187 2.694 515 1HB ALA 68 1HB ALA 68 -3.719 -0.566 1.163 516 2HB ALA 68 2HB ALA 68 -5.192 -0.820 2.164 517 3HB ALA 68 3HB ALA 68 -4.960 0.730 1.284 518 H LYS 69 H LYS 69 -4.690 -0.261 5.285 519 HA LYS 69 HA LYS 69 -6.750 1.673 5.591 520 1HB LYS 69 1HB LYS 69 -6.242 -0.780 6.664 521 2HB LYS 69 2HB LYS 69 -5.870 0.287 8.004 522 1HG LYS 69 1HG LYS 69 -8.133 0.060 8.333 523 2HG LYS 69 2HG LYS 69 -8.144 1.431 7.241 524 1HD LYS 69 1HD LYS 69 -8.721 0.079 5.380 525 2HD LYS 69 2HD LYS 69 -8.314 -1.398 6.229 526 1HE LYS 69 1HE LYS 69 -10.203 -1.079 7.743 527 2HE LYS 69 2HE LYS 69 -10.589 0.446 6.969 528 1HZ LYS 69 1HZ LYS 69 -10.994 -0.740 4.945 529 2HZ LYS 69 2HZ LYS 69 -10.629 -2.180 5.676 530 3HZ LYS 69 3HZ LYS 69 -11.960 -1.321 6.158 531 H SER 70 H SER 70 -3.657 1.144 7.310 532 HA SER 70 HA SER 70 -3.816 3.843 8.413 533 1HB SER 70 1HB SER 70 -3.018 1.960 9.792 534 2HB SER 70 2HB SER 70 -1.645 1.790 8.718 535 HG SER 70 HG SER 70 -1.159 3.075 10.566 536 H VAL 71 H VAL 71 -3.384 3.124 5.437 537 HA VAL 71 HA VAL 71 -0.799 3.876 4.690 538 HB VAL 71 HB VAL 71 -2.970 3.075 3.403 539 1HG1 VAL 71 1HG1 VAL 71 -4.120 5.183 3.541 540 2HG1 VAL 71 2HG1 VAL 71 -2.736 5.997 2.735 541 3HG1 VAL 71 3HG1 VAL 71 -3.715 4.788 1.835 542 1HG2 VAL 71 1HG2 VAL 71 -0.712 4.581 2.103 543 2HG2 VAL 71 2HG2 VAL 71 -0.728 2.835 2.533 544 3HG2 VAL 71 3HG2 VAL 71 -1.852 3.462 1.278 545 H ARG 72 H ARG 72 -3.286 5.741 6.099 546 HA ARG 72 HA ARG 72 -1.670 8.167 5.734 547 1HB ARG 72 1HB ARG 72 -4.383 7.690 4.921 548 2HB ARG 72 2HB ARG 72 -4.309 8.979 6.106 549 1HG ARG 72 1HG ARG 72 -2.192 9.555 4.441 550 2HG ARG 72 2HG ARG 72 -3.408 8.952 3.332 551 1HD ARG 72 1HD ARG 72 -4.139 11.100 3.391 552 2HD ARG 72 2HD ARG 72 -4.930 10.568 4.861 553 HE ARG 72 HE ARG 72 -2.409 11.386 5.671 554 1HH1 ARG 72 1HH2 ARG 72 -5.126 12.896 4.089 555 2HH1 ARG 72 2HH2 ARG 72 -4.738 14.487 4.703 556 1HH2 ARG 72 1HH1 ARG 72 -1.918 13.440 6.432 557 2HH2 ARG 72 2HH1 ARG 72 -2.948 14.790 6.011 558 H VAL 73 H VAL 73 -4.572 7.222 7.535 559 HA VAL 73 HA VAL 73 -3.180 7.405 10.070 560 HB VAL 73 HB VAL 73 -5.038 9.529 9.110 561 1HG1 VAL 73 1HG1 VAL 73 -6.103 8.704 11.152 562 2HG1 VAL 73 2HG1 VAL 73 -4.538 8.864 12.021 563 3HG1 VAL 73 3HG1 VAL 73 -5.377 10.329 11.405 564 1HG2 VAL 73 1HG2 VAL 73 -2.469 9.590 10.731 565 2HG2 VAL 73 2HG2 VAL 73 -2.625 9.960 8.979 566 3HG2 VAL 73 3HG2 VAL 73 -3.401 11.032 10.195 567 H GLN 74 H GLN 74 -4.485 6.684 11.848 568 HA GLN 74 HA GLN 74 -6.784 5.073 10.957 569 1HB GLN 74 1HB GLN 74 -6.332 3.647 12.825 570 2HB GLN 74 2HB GLN 74 -4.845 3.900 11.932 571 1HG GLN 74 1HG GLN 74 -3.847 4.961 13.659 572 2HG GLN 74 2HG GLN 74 -5.297 5.855 14.070 573 1HE2 GLN 74 2HE2 GLN 74 -5.724 5.526 16.149 574 2HE2 GLN 74 1HE2 GLN 74 -5.772 3.963 16.933 575 H GLY 75 H GLY 75 -8.366 4.613 12.854 576 1HA GLY 75 1HA GLY 75 -9.425 5.553 14.828 577 2HA GLY 75 2HA GLY 75 -8.955 7.149 14.281 578 H GLN 76 H GLN 76 -10.045 8.123 12.511 579 HA GLN 76 HA GLN 76 -12.188 6.800 11.164 580 1HB GLN 76 1HB GLN 76 -13.093 7.258 13.541 581 2HB GLN 76 2HB GLN 76 -13.145 8.935 13.032 582 1HG GLN 76 1HG GLN 76 -14.274 7.367 10.950 583 2HG GLN 76 2HG GLN 76 -15.009 6.856 12.455 584 1HE2 GLN 76 2HE2 GLN 76 -16.531 8.093 13.397 585 2HE2 GLN 76 1HE2 GLN 76 -17.004 9.679 12.829 586 H HIS 77 H HIS 77 -11.041 7.595 9.388 587 HA HIS 77 HA HIS 77 -11.007 10.518 9.116 588 1HB HIS 77 1HB HIS 77 -9.007 9.196 8.610 589 2HB HIS 77 2HB HIS 77 -9.877 8.450 7.283 590 HD1 HIS 77 1HD HIS 77 -7.871 11.439 8.134 591 HD2 HIS 77 2HD HIS 77 -10.550 10.180 5.134 592 HE1 HIS 77 1HE HIS 77 -7.605 13.084 6.182 593 HE2 HIS 77 2HE HIS 77 -9.226 12.302 4.351 594 H GLY 78 H GLY 78 -13.382 8.472 8.899 595 1HA GLY 78 1HA GLY 78 -15.296 8.299 7.687 596 2HA GLY 78 2HA GLY 78 -14.999 9.950 7.181 597 HA PRO 79 HA PRO 79 -14.556 7.020 3.626 598 1HB PRO 79 1HB PRO 79 -16.876 7.610 2.268 599 2HB PRO 79 2HB PRO 79 -16.649 6.228 3.321 600 1HG PRO 79 1HG PRO 79 -18.172 8.699 3.822 601 2HG PRO 79 2HG PRO 79 -18.272 7.161 4.654 602 1HD PRO 79 1HD PRO 79 -16.962 9.521 5.562 603 2HD PRO 79 2HD PRO 79 -16.966 7.951 6.338 604 H PHE 80 H PHE 80 -13.015 7.954 2.446 605 HA PHE 80 HA PHE 80 -13.598 9.944 0.517 606 1HB PHE 80 1HB PHE 80 -13.803 11.464 2.361 607 2HB PHE 80 2HB PHE 80 -12.325 10.861 3.083 608 HD1 PHE 80 1HD PHE 80 -10.173 11.676 2.438 609 HD2 PHE 80 2HD PHE 80 -13.737 12.872 0.326 610 HE1 PHE 80 1HE PHE 80 -8.871 13.431 1.252 611 HE2 PHE 80 2HE PHE 80 -12.443 14.665 -0.826 612 HZ PHE 80 HZ PHE 80 -10.012 14.947 -0.364 613 H GLN 81 H GLN 81 -10.842 9.597 2.752 614 HA GLN 81 HA GLN 81 -8.799 9.806 0.958 615 1HB GLN 81 1HB GLN 81 -7.487 8.416 2.536 616 2HB GLN 81 2HB GLN 81 -8.375 9.713 3.310 617 1HG GLN 81 1HG GLN 81 -10.207 7.975 3.735 618 2HG GLN 81 2HG GLN 81 -9.007 6.774 3.304 619 1HE2 GLN 81 2HE2 GLN 81 -9.552 6.053 5.519 620 2HE2 GLN 81 1HE2 GLN 81 -8.619 6.743 6.829 621 H SER 82 H SER 82 -10.437 6.764 1.929 622 HA SER 82 HA SER 82 -9.108 4.885 0.520 623 1HB SER 82 1HB SER 82 -12.074 5.236 0.794 624 2HB SER 82 2HB SER 82 -11.336 3.800 0.114 625 HG SER 82 HG SER 82 -11.747 3.588 2.375 626 H THR 83 H THR 83 -11.716 6.916 -0.862 627 HA THR 83 HA THR 83 -11.777 6.156 -3.430 628 HB THR 83 HB THR 83 -12.770 8.255 -2.154 629 HG1 THR 83 1HG THR 83 -13.448 8.854 -4.268 630 1HG2 THR 83 1HG2 THR 83 -10.670 9.636 -2.294 631 2HG2 THR 83 2HG2 THR 83 -10.744 9.472 -4.084 632 3HG2 THR 83 3HG2 THR 83 -12.044 10.353 -3.208 633 H ARG 84 H ARG 84 -9.266 8.350 -2.158 634 HA ARG 84 HA ARG 84 -7.755 8.187 -4.623 635 1HB ARG 84 1HB ARG 84 -8.036 10.131 -2.692 636 2HB ARG 84 2HB ARG 84 -6.450 9.460 -2.370 637 1HG ARG 84 1HG ARG 84 -5.938 11.065 -3.969 638 2HG ARG 84 2HG ARG 84 -6.164 9.646 -4.973 639 1HD ARG 84 1HD ARG 84 -8.698 10.909 -4.553 640 2HD ARG 84 2HD ARG 84 -7.549 12.106 -5.117 641 HE ARG 84 HE ARG 84 -7.157 9.968 -6.804 642 1HH1 ARG 84 1HH2 ARG 84 -9.947 11.888 -5.933 643 2HH1 ARG 84 2HH2 ARG 84 -10.721 11.652 -7.484 644 1HH2 ARG 84 1HH1 ARG 84 -8.167 9.685 -8.774 645 2HH2 ARG 84 2HH1 ARG 84 -9.726 10.420 -9.073 646 H ILE 85 H ILE 85 -7.212 7.448 -1.178 647 HA ILE 85 HA ILE 85 -4.779 6.298 -1.180 648 HB ILE 85 HB ILE 85 -7.265 5.754 0.307 649 1HG1 ILE 85 1HG1 ILE 85 -4.482 6.475 1.189 650 2HG1 ILE 85 2HG1 ILE 85 -5.769 7.621 0.868 651 1HG2 ILE 85 1HG2 ILE 85 -6.435 3.486 -0.047 652 2HG2 ILE 85 2HG2 ILE 85 -4.811 3.989 0.537 653 3HG2 ILE 85 3HG2 ILE 85 -6.210 3.984 1.665 654 1HD1 ILE 85 1HD1 ILE 85 -7.155 6.602 2.649 655 2HD1 ILE 85 2HD1 ILE 85 -5.837 5.425 2.977 656 3HD1 ILE 85 3HD1 ILE 85 -5.578 7.175 3.293 657 H TYR 86 H TYR 86 -7.698 4.922 -2.529 658 HA TYR 86 HA TYR 86 -6.446 2.424 -3.280 659 1HB TYR 86 1HB TYR 86 -9.130 3.705 -3.528 660 2HB TYR 86 2HB TYR 86 -8.736 2.265 -4.446 661 HD1 TYR 86 1HD TYR 86 -9.556 0.308 -3.583 662 HD2 TYR 86 2HD TYR 86 -8.305 3.424 -0.889 663 HE1 TYR 86 1HE TYR 86 -10.138 -1.138 -1.631 664 HE2 TYR 86 2HE TYR 86 -8.905 2.007 1.065 665 HH TYR 86 HH TYR 86 -9.694 0.024 1.725 666 H GLN 87 H GLN 87 -7.878 5.284 -4.939 667 HA GLN 87 HA GLN 87 -7.403 4.555 -7.548 668 1HB GLN 87 1HB GLN 87 -8.091 6.896 -6.197 669 2HB GLN 87 2HB GLN 87 -6.682 7.307 -7.151 670 1HG GLN 87 1HG GLN 87 -8.839 5.737 -8.456 671 2HG GLN 87 2HG GLN 87 -9.124 7.441 -8.165 672 1HE2 GLN 87 2HE2 GLN 87 -8.753 5.912 -10.710 673 2HE2 GLN 87 1HE2 GLN 87 -7.418 6.701 -11.521 674 H ILE 88 H ILE 88 -5.018 5.398 -5.140 675 HA ILE 88 HA ILE 88 -2.919 5.459 -7.182 676 HB ILE 88 HB ILE 88 -3.143 6.246 -4.318 677 1HG1 ILE 88 1HG1 ILE 88 -1.822 7.894 -6.395 678 2HG1 ILE 88 2HG1 ILE 88 -3.553 7.672 -6.547 679 1HG2 ILE 88 1HG2 ILE 88 -1.082 4.955 -4.479 680 2HG2 ILE 88 2HG2 ILE 88 -0.587 5.943 -5.898 681 3HG2 ILE 88 3HG2 ILE 88 -0.738 6.709 -4.278 682 1HD1 ILE 88 1HD1 ILE 88 -3.881 8.463 -4.227 683 2HD1 ILE 88 2HD1 ILE 88 -2.104 8.691 -4.072 684 3HD1 ILE 88 3HD1 ILE 88 -3.042 9.699 -5.230 685 H ALA 89 H ALA 89 -4.162 3.509 -4.527 686 HA ALA 89 HA ALA 89 -2.035 1.579 -4.708 687 1HB ALA 89 1HB ALA 89 -3.139 2.016 -2.589 688 2HB ALA 89 2HB ALA 89 -4.716 1.533 -3.303 689 3HB ALA 89 3HB ALA 89 -3.412 0.313 -3.094 690 H LYS 90 H LYS 90 -4.380 2.299 -6.853 691 HA LYS 90 HA LYS 90 -5.234 -0.405 -7.475 692 1HB LYS 90 1HB LYS 90 -6.613 0.627 -9.162 693 2HB LYS 90 2HB LYS 90 -6.824 1.465 -7.638 694 1HG LYS 90 1HG LYS 90 -6.529 3.298 -8.908 695 2HG LYS 90 2HG LYS 90 -4.831 2.918 -8.699 696 1HD LYS 90 1HD LYS 90 -4.587 2.190 -10.848 697 2HD LYS 90 2HD LYS 90 -6.244 1.632 -10.960 698 1HE LYS 90 1HE LYS 90 -5.726 3.617 -12.394 699 2HE LYS 90 2HE LYS 90 -7.053 3.862 -11.274 700 1HZ LYS 90 1HZ LYS 90 -5.556 4.989 -9.824 701 2HZ LYS 90 2HZ LYS 90 -4.302 4.758 -10.881 702 3HZ LYS 90 3HZ LYS 90 -5.582 5.716 -11.311 703 H ASN 91 H ASN 91 -2.996 2.082 -8.582 704 HA ASN 91 HA ASN 91 -2.130 0.469 -10.836 705 1HB ASN 91 1HB ASN 91 -1.768 3.196 -9.900 706 2HB ASN 91 2HB ASN 91 -0.296 2.480 -10.525 707 1HD2 ASN 91 2HD2 ASN 91 -3.364 3.794 -11.226 708 2HD2 ASN 91 1HD2 ASN 91 -3.307 3.626 -12.966 709 H LEU 92 H LEU 92 -1.816 -0.220 -7.789 710 HA LEU 92 HA LEU 92 1.042 -0.410 -7.487 711 1HB LEU 92 1HB LEU 92 -1.336 -0.923 -5.897 712 2HB LEU 92 2HB LEU 92 -0.080 -2.123 -5.667 713 HG LEU 92 HG LEU 92 0.346 0.823 -5.409 714 1HD1 LEU 92 1HD1 LEU 92 -1.249 0.078 -3.709 715 2HD1 LEU 92 2HD1 LEU 92 -0.129 -1.251 -3.246 716 3HD1 LEU 92 3HD1 LEU 92 0.343 0.461 -2.966 717 1HD2 LEU 92 1HD2 LEU 92 2.052 -1.554 -4.612 718 2HD2 LEU 92 2HD2 LEU 92 2.368 -0.430 -5.979 719 3HD2 LEU 92 3HD2 LEU 92 2.442 0.170 -4.286 720 HA PRO 93 HA PRO 93 0.302 -4.955 -8.502 721 1HB PRO 93 1HB PRO 93 -2.179 -5.802 -9.294 722 2HB PRO 93 2HB PRO 93 -1.555 -5.908 -7.661 723 1HG PRO 93 1HG PRO 93 -3.581 -4.071 -8.749 724 2HG PRO 93 2HG PRO 93 -3.263 -4.494 -7.079 725 1HD PRO 93 1HD PRO 93 -2.465 -2.138 -8.442 726 2HD PRO 93 2HD PRO 93 -2.073 -2.603 -6.799 727 H ASN 94 H ASN 94 -0.546 -2.327 -10.274 728 HA ASN 94 HA ASN 94 -0.547 -3.708 -12.857 729 1HB ASN 94 1HB ASN 94 -0.829 -0.809 -12.098 730 2HB ASN 94 2HB ASN 94 -0.923 -1.426 -13.734 731 1HD2 ASN 94 2HD2 ASN 94 -2.397 -3.728 -13.437 732 2HD2 ASN 94 1HD2 ASN 94 -4.001 -3.310 -12.878 733 H VAL 95 H VAL 95 1.508 -1.951 -10.707 734 HA VAL 95 HA VAL 95 3.630 -1.915 -12.770 735 HB VAL 95 HB VAL 95 3.479 0.016 -10.492 736 1HG1 VAL 95 1HG1 VAL 95 5.679 -0.252 -11.548 737 2HG1 VAL 95 2HG1 VAL 95 4.939 0.075 -13.154 738 3HG1 VAL 95 3HG1 VAL 95 4.987 1.367 -11.905 739 1HG2 VAL 95 1HG2 VAL 95 2.405 0.431 -13.308 740 2HG2 VAL 95 2HG2 VAL 95 1.420 0.329 -11.808 741 3HG2 VAL 95 3HG2 VAL 95 2.553 1.703 -12.047 742 H CYS 96 H CYS 96 2.545 -3.218 -9.933 743 HA CYS 96 HA CYS 96 5.214 -4.206 -9.245 744 1HB CYS 96 1HB CYS 96 3.522 -2.602 -7.568 745 2HB CYS 96 2HB CYS 96 3.797 -4.181 -6.858 746 H ASN 97 H ASN 97 3.399 -5.394 -11.006 747 HA ASN 97 HA ASN 97 1.510 -7.113 -10.384 748 1HB ASN 97 1HB ASN 97 4.037 -7.594 -11.875 749 2HB ASN 97 2HB ASN 97 2.964 -8.947 -11.581 750 1HD2 ASN 97 2HD2 ASN 97 3.125 -5.670 -12.877 751 2HD2 ASN 97 1HD2 ASN 97 1.858 -5.876 -14.066 752 H MET 98 H MET 98 1.049 -8.135 -8.565 753 HA MET 98 HA MET 98 3.226 -9.624 -7.227 754 1HB MET 98 1HB MET 98 1.907 -9.184 -5.127 755 2HB MET 98 2HB MET 98 2.749 -7.812 -5.818 756 1HG MET 98 1HG MET 98 0.039 -8.163 -6.835 757 2HG MET 98 2HG MET 98 0.111 -7.854 -5.112 758 1HE MET 98 1HE MET 98 0.133 -5.629 -4.127 759 2HE MET 98 2HE MET 98 1.910 -5.888 -4.222 760 3HE MET 98 3HE MET 98 1.203 -4.313 -4.726 761 H LYS 99 H LYS 99 1.587 -10.924 -5.348 762 HA LYS 99 HA LYS 99 0.876 -13.207 -5.762 763 1HB LYS 99 1HB LYS 99 -0.268 -11.925 -4.040 764 2HB LYS 99 2HB LYS 99 -1.461 -11.432 -5.224 765 1HG LYS 99 1HG LYS 99 -2.345 -13.543 -5.405 766 2HG LYS 99 2HG LYS 99 -0.900 -14.310 -4.779 767 1HD LYS 99 1HD LYS 99 -1.694 -14.278 -2.719 768 2HD LYS 99 2HD LYS 99 -2.041 -12.565 -2.819 769 1HE LYS 99 1HE LYS 99 -4.221 -12.906 -3.256 770 2HE LYS 99 2HE LYS 99 -3.904 -14.295 -4.274 771 1HZ LYS 99 1HZ LYS 99 -3.525 -15.587 -2.313 772 2HZ LYS 99 2HZ LYS 99 -3.824 -14.274 -1.350 773 3HZ LYS 99 3HZ LYS 99 -5.038 -14.913 -2.278 774 H GLN 100 H GLN 100 1.307 -13.747 -7.900 775 HA GLN 100 HA GLN 100 -0.007 -12.691 -10.116 776 1HB GLN 100 1HB GLN 100 2.008 -14.208 -10.098 777 2HB GLN 100 2HB GLN 100 0.907 -15.550 -9.846 778 1HG GLN 100 1HG GLN 100 0.640 -13.636 -12.153 779 2HG GLN 100 2HG GLN 100 1.589 -15.106 -12.252 780 1HE2 GLN 100 2HE2 GLN 100 -0.945 -14.112 -13.598 781 2HE2 GLN 100 1HE2 GLN 100 -2.088 -15.420 -13.387 782 H ILE 101 H ILE 101 -0.755 -15.599 -8.227 783 HA ILE 101 HA ILE 101 -2.972 -16.581 -9.389 784 HB ILE 101 HB ILE 101 -2.403 -17.760 -7.560 785 1HG1 ILE 101 1HG1 ILE 101 -4.524 -16.182 -6.171 786 2HG1 ILE 101 2HG1 ILE 101 -4.897 -17.148 -7.584 787 1HG2 ILE 101 1HG2 ILE 101 -0.866 -16.147 -6.567 788 2HG2 ILE 101 2HG2 ILE 101 -2.260 -15.223 -5.907 789 3HG2 ILE 101 3HG2 ILE 101 -1.918 -16.883 -5.308 790 1HD1 ILE 101 1HD1 ILE 101 -4.005 -19.157 -6.473 791 2HD1 ILE 101 2HD1 ILE 101 -3.623 -18.165 -5.024 792 3HD1 ILE 101 3HD1 ILE 101 -5.334 -18.410 -5.519 793 H GLY 102 H GLY 102 -3.500 -14.323 -6.680 794 1HA GLY 102 1HA GLY 102 -5.673 -13.080 -8.265 795 2HA GLY 102 2HA GLY 102 -5.869 -13.513 -6.578 796 H THR 103 H THR 103 -4.439 -11.338 -8.850 797 HA THR 103 HA THR 103 -2.874 -9.878 -6.876 798 HB THR 103 HB THR 103 -3.441 -8.821 -9.612 799 HG1 THR 103 1HG THR 103 -1.895 -10.354 -10.370 800 1HG2 THR 103 1HG2 THR 103 -1.804 -7.711 -8.078 801 2HG2 THR 103 2HG2 THR 103 -0.887 -9.257 -8.027 802 3HG2 THR 103 3HG2 THR 103 -1.040 -8.355 -9.575 803 H CYS 104 H CYS 104 -3.937 -8.647 -5.453 804 HA CYS 104 HA CYS 104 -6.182 -7.879 -4.796 805 1HB CYS 104 1HB CYS 104 -4.722 -5.459 -5.631 806 2HB CYS 104 2HB CYS 104 -5.593 -5.789 -4.148 807 HA PRO 105 HA PRO 105 -7.801 -7.134 -8.947 808 1HB PRO 105 1HB PRO 105 -9.957 -8.879 -8.821 809 2HB PRO 105 2HB PRO 105 -8.384 -9.258 -9.493 810 1HG PRO 105 1HG PRO 105 -9.546 -10.102 -6.924 811 2HG PRO 105 2HG PRO 105 -8.190 -10.790 -7.794 812 1HD PRO 105 1HD PRO 105 -8.054 -9.153 -5.505 813 2HD PRO 105 2HD PRO 105 -6.710 -9.642 -6.517 814 H PHE 106 H PHE 106 -8.114 -5.102 -7.746 815 HA PHE 106 HA PHE 106 -10.979 -4.645 -7.272 816 1HB PHE 106 1HB PHE 106 -10.591 -3.546 -5.239 817 2HB PHE 106 2HB PHE 106 -9.656 -5.026 -5.144 818 HD1 PHE 106 1HD PHE 106 -7.206 -4.984 -5.201 819 HD2 PHE 106 2HD PHE 106 -9.507 -1.365 -5.376 820 HE1 PHE 106 1HE PHE 106 -5.151 -3.658 -4.739 821 HE2 PHE 106 2HE PHE 106 -7.452 -0.027 -4.970 822 HZ PHE 106 HZ PHE 106 -5.283 -1.181 -4.598 823 H ILE 107 H ILE 107 -8.408 -3.945 -9.102 824 HA ILE 107 HA ILE 107 -8.060 -1.223 -9.149 825 HB ILE 107 HB ILE 107 -7.800 -1.610 -11.684 826 1HG1 ILE 107 1HG1 ILE 107 -7.336 -4.440 -11.245 827 2HG1 ILE 107 2HG1 ILE 107 -9.029 -4.014 -11.097 828 1HG2 ILE 107 1HG2 ILE 107 -5.949 -1.324 -10.134 829 2HG2 ILE 107 2HG2 ILE 107 -6.086 -3.048 -9.643 830 3HG2 ILE 107 3HG2 ILE 107 -5.582 -2.627 -11.317 831 1HD1 ILE 107 1HD1 ILE 107 -8.965 -2.899 -13.299 832 2HD1 ILE 107 2HD1 ILE 107 -7.228 -3.336 -13.450 833 3HD1 ILE 107 3HD1 ILE 107 -8.481 -4.626 -13.422 834 H ALA 108 H ALA 108 -10.629 -3.075 -10.802 835 HA ALA 108 HA ALA 108 -11.958 -0.769 -11.814 836 1HB ALA 108 1HB ALA 108 -12.195 -2.971 -12.842 837 2HB ALA 108 2HB ALA 108 -12.932 -3.602 -11.328 838 3HB ALA 108 3HB ALA 108 -13.795 -2.358 -12.299 839 H ILE 109 H ILE 109 -11.540 0.226 -9.485 840 HA ILE 109 HA ILE 109 -13.320 -0.375 -7.398 841 HB ILE 109 HB ILE 109 -11.614 1.949 -8.110 842 1HG1 ILE 109 1HG1 ILE 109 -11.173 1.047 -5.486 843 2HG1 ILE 109 2HG1 ILE 109 -11.387 -0.390 -6.465 844 1HG2 ILE 109 1HG2 ILE 109 -13.630 2.972 -7.185 845 2HG2 ILE 109 2HG2 ILE 109 -13.542 1.861 -5.773 846 3HG2 ILE 109 3HG2 ILE 109 -12.261 3.096 -6.026 847 1HD1 ILE 109 1HD1 ILE 109 -9.667 0.413 -8.061 848 2HD1 ILE 109 2HD1 ILE 109 -9.448 1.888 -7.057 849 3HD1 ILE 109 3HD1 ILE 109 -9.001 0.276 -6.396 Start of MODEL 10 1 1H GLN 1 1H GLN 1 -5.818 -10.639 3.535 2 2H GLN 1 2H GLN 1 -7.430 -10.402 3.246 3 3H GLN 1 3H GLN 1 -6.423 -9.101 3.429 4 HA GLN 1 HA GLN 1 -5.994 -9.702 5.661 5 1HB GLN 1 1HB GLN 1 -8.107 -8.861 6.432 6 2HB GLN 1 2HB GLN 1 -7.726 -8.108 4.897 7 1HG GLN 1 1HG GLN 1 -9.695 -8.746 4.099 8 2HG GLN 1 2HG GLN 1 -9.246 -10.424 4.339 9 1HE2 GLN 1 2HE2 GLN 1 -11.629 -10.631 4.628 10 2HE2 GLN 1 1HE2 GLN 1 -12.296 -10.338 6.218 11 HA PRO 2 HA PRO 2 -7.555 -14.149 5.426 12 1HB PRO 2 1HB PRO 2 -5.127 -15.469 5.489 13 2HB PRO 2 2HB PRO 2 -6.083 -15.165 4.052 14 1HG PRO 2 1HG PRO 2 -3.600 -13.879 4.929 15 2HG PRO 2 2HG PRO 2 -4.319 -13.926 3.331 16 1HD PRO 2 1HD PRO 2 -4.351 -11.784 5.157 17 2HD PRO 2 2HD PRO 2 -5.186 -11.883 3.621 18 H GLN 3 H GLN 3 -5.979 -16.036 7.037 19 HA GLN 3 HA GLN 3 -5.853 -14.552 9.623 20 1HB GLN 3 1HB GLN 3 -7.605 -16.517 8.993 21 2HB GLN 3 2HB GLN 3 -6.299 -17.450 9.697 22 1HG GLN 3 1HG GLN 3 -6.620 -16.580 11.780 23 2HG GLN 3 2HG GLN 3 -7.084 -15.007 11.163 24 1HE2 GLN 3 2HE2 GLN 3 -9.148 -14.475 11.547 25 2HE2 GLN 3 1HE2 GLN 3 -10.480 -15.608 11.642 26 H LYS 4 H LYS 4 -4.432 -16.964 7.535 27 HA LYS 4 HA LYS 4 -2.226 -17.558 9.284 28 1HB LYS 4 1HB LYS 4 -2.522 -19.314 7.908 29 2HB LYS 4 2HB LYS 4 -3.070 -18.319 6.574 30 1HG LYS 4 1HG LYS 4 -0.941 -17.944 5.797 31 2HG LYS 4 2HG LYS 4 -0.215 -18.126 7.380 32 1HD LYS 4 1HD LYS 4 -1.445 -20.558 6.294 33 2HD LYS 4 2HD LYS 4 -0.045 -19.974 5.417 34 1HE LYS 4 1HE LYS 4 1.093 -21.155 7.004 35 2HE LYS 4 2HE LYS 4 0.852 -19.698 7.947 36 1HZ LYS 4 1HZ LYS 4 -1.096 -20.693 8.897 37 2HZ LYS 4 2HZ LYS 4 -0.868 -22.070 8.007 38 3HZ LYS 4 3HZ LYS 4 0.232 -21.645 9.170 39 H CYS 5 H CYS 5 -2.436 -15.797 6.174 40 HA CYS 5 HA CYS 5 0.203 -14.721 6.458 41 1HB CYS 5 1HB CYS 5 -1.613 -14.774 4.406 42 2HB CYS 5 2HB CYS 5 -1.625 -13.088 4.883 43 H GLN 6 H GLN 6 -3.068 -13.425 7.267 44 HA GLN 6 HA GLN 6 -2.208 -10.890 8.164 45 1HB GLN 6 1HB GLN 6 -4.371 -12.748 9.002 46 2HB GLN 6 2HB GLN 6 -4.056 -11.318 9.963 47 1HG GLN 6 1HG GLN 6 -4.050 -10.110 7.677 48 2HG GLN 6 2HG GLN 6 -4.916 -11.531 7.127 49 1HE2 GLN 6 2HE2 GLN 6 -5.766 -8.859 7.168 50 2HE2 GLN 6 1HE2 GLN 6 -7.163 -8.738 8.214 51 H ARG 7 H ARG 7 -2.160 -13.975 9.965 52 HA ARG 7 HA ARG 7 -0.964 -12.857 12.324 53 1HB ARG 7 1HB ARG 7 -1.668 -15.513 11.319 54 2HB ARG 7 2HB ARG 7 -0.262 -15.490 12.365 55 1HG ARG 7 1HG ARG 7 -1.508 -14.356 14.099 56 2HG ARG 7 2HG ARG 7 -2.895 -14.187 13.043 57 1HD ARG 7 1HD ARG 7 -3.245 -16.553 12.996 58 2HD ARG 7 2HD ARG 7 -1.720 -16.849 13.808 59 HE ARG 7 HE ARG 7 -3.348 -15.193 15.437 60 1HH1 ARG 7 1HH2 ARG 7 -3.203 -18.531 14.387 61 2HH1 ARG 7 2HH2 ARG 7 -4.008 -19.106 15.830 62 1HH2 ARG 7 1HH1 ARG 7 -4.351 -16.001 17.252 63 2HH2 ARG 7 2HH1 ARG 7 -4.635 -17.722 17.397 64 H GLU 8 H GLU 8 0.421 -12.820 9.434 65 HA GLU 8 HA GLU 8 3.174 -13.248 10.432 66 1HB GLU 8 1HB GLU 8 1.860 -14.361 8.071 67 2HB GLU 8 2HB GLU 8 3.421 -13.631 7.756 68 1HG GLU 8 1HG GLU 8 3.888 -15.027 10.070 69 2HG GLU 8 2HG GLU 8 2.764 -16.074 9.227 70 H PHE 9 H PHE 9 1.083 -11.540 8.197 71 HA PHE 9 HA PHE 9 2.920 -9.498 7.433 72 1HB PHE 9 1HB PHE 9 1.226 -9.723 5.915 73 2HB PHE 9 2HB PHE 9 0.024 -10.046 7.149 74 HD1 PHE 9 1HD PHE 9 -0.923 -8.131 8.494 75 HD2 PHE 9 2HD PHE 9 1.389 -7.605 4.887 76 HE1 PHE 9 1HE PHE 9 -1.573 -5.733 8.456 77 HE2 PHE 9 2HE PHE 9 0.484 -5.285 4.697 78 HZ PHE 9 HZ PHE 9 -0.905 -4.328 6.518 79 H GLN 10 H GLN 10 0.423 -9.848 9.915 80 HA GLN 10 HA GLN 10 1.049 -7.101 10.790 81 1HB GLN 10 1HB GLN 10 -1.378 -8.451 10.606 82 2HB GLN 10 2HB GLN 10 -1.022 -8.376 12.320 83 1HG GLN 10 1HG GLN 10 -0.378 -5.846 11.418 84 2HG GLN 10 2HG GLN 10 -1.807 -6.255 10.489 85 1HE2 GLN 10 2HE2 GLN 10 -1.505 -4.189 12.501 86 2HE2 GLN 10 1HE2 GLN 10 -2.688 -4.554 13.737 87 H GLN 11 H GLN 11 1.735 -10.339 11.499 88 HA GLN 11 HA GLN 11 1.923 -10.603 14.187 89 1HB GLN 11 1HB GLN 11 2.834 -12.024 12.117 90 2HB GLN 11 2HB GLN 11 4.351 -11.343 12.666 91 1HG GLN 11 1HG GLN 11 2.871 -12.207 14.946 92 2HG GLN 11 2HG GLN 11 2.900 -13.516 13.783 93 1HE2 GLN 11 2HE2 GLN 11 5.221 -13.765 12.731 94 2HE2 GLN 11 1HE2 GLN 11 6.501 -13.851 13.920 95 H GLU 12 H GLU 12 4.230 -8.918 12.088 96 HA GLU 12 HA GLU 12 5.051 -6.911 13.762 97 1HB GLU 12 1HB GLU 12 7.314 -7.957 14.520 98 2HB GLU 12 2HB GLU 12 5.867 -8.063 15.503 99 1HG GLU 12 1HG GLU 12 5.674 -10.305 15.230 100 2HG GLU 12 2HG GLU 12 6.349 -10.276 13.613 101 H GLN 13 H GLN 13 4.764 -7.619 10.970 102 HA GLN 13 HA GLN 13 7.188 -6.354 10.001 103 1HB GLN 13 1HB GLN 13 7.330 -9.064 10.138 104 2HB GLN 13 2HB GLN 13 6.702 -8.847 8.517 105 1HG GLN 13 1HG GLN 13 8.507 -7.259 8.029 106 2HG GLN 13 2HG GLN 13 9.136 -7.477 9.650 107 1HE2 GLN 13 2HE2 GLN 13 11.173 -8.101 8.685 108 2HE2 GLN 13 1HE2 GLN 13 11.370 -9.730 8.083 109 H HIS 14 H HIS 14 4.915 -5.105 10.049 110 HA HIS 14 HA HIS 14 3.180 -5.764 7.831 111 1HB HIS 14 1HB HIS 14 3.168 -3.047 8.974 112 2HB HIS 14 2HB HIS 14 1.829 -4.094 8.548 113 HD1 HIS 14 1HD HIS 14 1.860 -2.472 11.248 114 HD2 HIS 14 2HD HIS 14 3.197 -6.428 10.741 115 HE1 HIS 14 1HE HIS 14 1.743 -3.599 13.566 116 HE2 HIS 14 2HE HIS 14 2.570 -6.012 13.238 117 H LEU 15 H LEU 15 2.845 -3.128 6.735 118 HA LEU 15 HA LEU 15 5.412 -2.918 5.258 119 1HB LEU 15 1HB LEU 15 2.737 -2.116 4.223 120 2HB LEU 15 2HB LEU 15 4.207 -2.431 3.324 121 HG LEU 15 HG LEU 15 2.352 -4.391 4.600 122 1HD1 LEU 15 1HD1 LEU 15 1.696 -3.635 2.424 123 2HD1 LEU 15 2HD1 LEU 15 3.324 -4.042 1.774 124 3HD1 LEU 15 3HD1 LEU 15 2.231 -5.350 2.347 125 1HD2 LEU 15 1HD2 LEU 15 5.058 -5.079 3.463 126 2HD2 LEU 15 2HD2 LEU 15 4.554 -5.212 5.183 127 3HD2 LEU 15 3HD2 LEU 15 3.781 -6.253 3.937 128 H ARG 16 H ARG 16 5.805 -0.818 4.384 129 HA ARG 16 HA ARG 16 4.803 1.501 5.859 130 1HB ARG 16 1HB ARG 16 7.596 0.491 5.932 131 2HB ARG 16 2HB ARG 16 7.273 2.211 6.014 132 1HG ARG 16 1HG ARG 16 5.513 0.820 7.790 133 2HG ARG 16 2HG ARG 16 7.170 0.347 8.114 134 1HD ARG 16 1HD ARG 16 7.399 3.055 7.776 135 2HD ARG 16 2HD ARG 16 5.841 2.912 8.565 136 HE ARG 16 HE ARG 16 7.409 1.263 10.045 137 1HH1 ARG 16 1HH2 ARG 16 7.688 4.618 9.124 138 2HH1 ARG 16 2HH2 ARG 16 8.659 5.016 10.524 139 1HH2 ARG 16 1HH1 ARG 16 8.675 1.802 11.772 140 2HH2 ARG 16 2HH1 ARG 16 9.206 3.454 11.992 141 H ALA 17 H ALA 17 7.831 1.593 4.066 142 HA ALA 17 HA ALA 17 7.385 3.550 2.360 143 1HB ALA 17 1HB ALA 17 9.451 2.271 2.450 144 2HB ALA 17 2HB ALA 17 8.640 0.888 1.634 145 3HB ALA 17 3HB ALA 17 8.895 2.431 0.748 146 H CYS 18 H CYS 18 6.510 0.251 1.194 147 HA CYS 18 HA CYS 18 4.952 0.927 -0.952 148 1HB CYS 18 1HB CYS 18 5.590 -1.388 0.232 149 2HB CYS 18 2HB CYS 18 3.873 -1.297 0.565 150 H GLN 19 H GLN 19 3.629 0.290 2.271 151 HA GLN 19 HA GLN 19 1.157 1.641 1.674 152 1HB GLN 19 1HB GLN 19 2.332 0.313 4.082 153 2HB GLN 19 2HB GLN 19 0.777 1.117 4.133 154 1HG GLN 19 1HG GLN 19 1.417 -0.744 1.863 155 2HG GLN 19 2HG GLN 19 0.892 -1.413 3.397 156 1HE2 GLN 19 2HE2 GLN 19 -0.408 1.724 2.262 157 2HE2 GLN 19 1HE2 GLN 19 -2.015 1.094 1.981 158 H GLN 20 H GLN 20 3.436 3.414 1.370 159 HA GLN 20 HA GLN 20 2.762 5.487 3.340 160 1HB GLN 20 1HB GLN 20 5.469 4.314 3.047 161 2HB GLN 20 2HB GLN 20 5.312 6.034 3.338 162 1HG GLN 20 1HG GLN 20 3.593 4.876 5.175 163 2HG GLN 20 2HG GLN 20 4.984 3.811 5.166 164 1HE2 GLN 20 2HE2 GLN 20 4.470 4.926 7.471 165 2HE2 GLN 20 1HE2 GLN 20 5.601 6.213 7.826 166 H TRP 21 H TRP 21 4.926 4.762 0.588 167 HA TRP 21 HA TRP 21 4.983 7.288 -0.556 168 1HB TRP 21 1HB TRP 21 5.571 6.270 -2.553 169 2HB TRP 21 2HB TRP 21 6.202 5.250 -1.277 170 HD1 TRP 21 HD TRP 21 5.664 2.761 -1.420 171 HE1 TRP 21 1HE TRP 21 4.172 1.289 -2.904 172 HE3 TRP 21 3HE TRP 21 3.238 6.401 -3.966 173 HZ2 TRP 21 2HZ TRP 21 2.009 1.688 -4.755 174 HZ3 TRP 21 3HZ TRP 21 1.441 5.868 -5.547 175 HH2 TRP 21 HH TRP 21 0.762 3.498 -5.923 176 H ILE 22 H ILE 22 2.323 5.068 -0.360 177 HA ILE 22 HA ILE 22 0.637 6.120 -2.370 178 HB ILE 22 HB ILE 22 -0.383 5.132 0.253 179 1HG1 ILE 22 1HG1 ILE 22 1.137 3.624 -1.798 180 2HG1 ILE 22 2HG1 ILE 22 1.186 3.491 -0.051 181 1HG2 ILE 22 1HG2 ILE 22 -2.000 5.939 -1.387 182 2HG2 ILE 22 2HG2 ILE 22 -1.299 4.837 -2.622 183 3HG2 ILE 22 3HG2 ILE 22 -2.143 4.158 -1.187 184 1HD1 ILE 22 1HD1 ILE 22 -0.965 2.317 -0.057 185 2HD1 ILE 22 2HD1 ILE 22 -1.015 2.453 -1.850 186 3HD1 ILE 22 3HD1 ILE 22 0.267 1.471 -1.059 187 H ARG 23 H ARG 23 1.261 7.188 0.934 188 HA ARG 23 HA ARG 23 -0.452 9.550 0.685 189 1HB ARG 23 1HB ARG 23 1.192 8.317 2.806 190 2HB ARG 23 2HB ARG 23 0.895 10.043 2.892 191 1HG ARG 23 1HG ARG 23 -1.064 9.535 3.856 192 2HG ARG 23 2HG ARG 23 -1.585 8.975 2.279 193 1HD ARG 23 1HD ARG 23 -1.939 7.311 4.070 194 2HD ARG 23 2HD ARG 23 -0.899 6.736 2.784 195 HE ARG 23 HE ARG 23 0.844 6.556 4.264 196 1HH1 ARG 23 1HH2 ARG 23 -1.719 8.368 5.802 197 2HH1 ARG 23 2HH2 ARG 23 -0.886 8.406 7.341 198 1HH2 ARG 23 1HH1 ARG 23 1.875 6.684 6.229 199 2HH2 ARG 23 2HH1 ARG 23 1.089 7.480 7.575 200 H GLN 24 H GLN 24 2.904 8.801 0.032 201 HA GLN 24 HA GLN 24 3.917 11.435 0.200 202 1HB GLN 24 1HB GLN 24 4.638 9.048 -1.424 203 2HB GLN 24 2HB GLN 24 5.394 10.591 -1.767 204 1HG GLN 24 1HG GLN 24 6.133 10.742 0.563 205 2HG GLN 24 2HG GLN 24 5.385 9.194 0.899 206 1HE2 GLN 24 2HE2 GLN 24 7.714 8.835 1.653 207 2HE2 GLN 24 1HE2 GLN 24 8.811 8.183 0.457 208 H GLN 25 H GLN 25 1.521 10.167 -2.043 209 HA GLN 25 HA GLN 25 2.011 12.257 -3.982 210 1HB GLN 25 1HB GLN 25 0.387 9.967 -3.677 211 2HB GLN 25 2HB GLN 25 -0.663 11.314 -4.072 212 1HG GLN 25 1HG GLN 25 1.870 11.101 -5.599 213 2HG GLN 25 2HG GLN 25 0.635 9.910 -5.952 214 1HE2 GLN 25 2HE2 GLN 25 -1.508 10.676 -6.579 215 2HE2 GLN 25 1HE2 GLN 25 -1.651 12.218 -7.393 216 H LEU 26 H LEU 26 0.769 12.462 -0.855 217 HA LEU 26 HA LEU 26 -1.231 14.516 -1.392 218 1HB LEU 26 1HB LEU 26 -0.223 13.228 1.140 219 2HB LEU 26 2HB LEU 26 -1.457 14.472 1.108 220 HG LEU 26 HG LEU 26 -2.243 12.097 1.354 221 1HD1 LEU 26 1HD1 LEU 26 -3.794 13.873 0.807 222 2HD1 LEU 26 2HD1 LEU 26 -3.373 13.718 -0.935 223 3HD1 LEU 26 3HD1 LEU 26 -4.218 12.375 -0.090 224 1HD2 LEU 26 1HD2 LEU 26 -1.689 11.889 -1.612 225 2HD2 LEU 26 2HD2 LEU 26 -0.914 10.912 -0.316 226 3HD2 LEU 26 3HD2 LEU 26 -2.676 10.747 -0.637 227 H ALA 27 H ALA 27 -0.934 16.340 0.478 228 HA ALA 27 HA ALA 27 1.709 17.572 -0.083 229 1HB ALA 27 1HB ALA 27 -0.228 18.738 -1.023 230 2HB ALA 27 2HB ALA 27 -0.984 18.785 0.608 231 3HB ALA 27 3HB ALA 27 0.523 19.711 0.288 232 H GLY 28 H GLY 28 -0.689 16.867 2.412 233 1HA GLY 28 1HA GLY 28 0.393 18.151 4.620 234 2HA GLY 28 2HA GLY 28 -0.480 16.633 4.677 235 H SER 29 H SER 29 1.300 14.997 3.268 236 HA SER 29 HA SER 29 3.012 13.819 4.954 237 1HB SER 29 1HB SER 29 2.729 13.791 2.129 238 2HB SER 29 2HB SER 29 4.441 13.895 2.485 239 HG SER 29 HG SER 29 3.676 11.719 2.492 240 HA PRO 30 HA PRO 30 5.711 17.381 5.575 241 1HB PRO 30 1HB PRO 30 6.490 16.685 8.144 242 2HB PRO 30 2HB PRO 30 5.111 17.697 7.770 243 1HG PRO 30 1HG PRO 30 5.150 14.924 8.719 244 2HG PRO 30 2HG PRO 30 3.816 16.060 8.701 245 1HD PRO 30 1HD PRO 30 4.261 13.902 6.911 246 2HD PRO 30 2HD PRO 30 2.990 15.106 6.827 247 H PHE 31 H PHE 31 8.072 17.491 6.347 248 HA PHE 31 HA PHE 31 9.777 15.268 6.350 249 1HB PHE 31 1HB PHE 31 10.597 15.630 3.891 250 2HB PHE 31 2HB PHE 31 9.280 14.528 4.239 251 HD1 PHE 31 1HD PHE 31 7.532 14.572 2.697 252 HD2 PHE 31 2HD PHE 31 9.564 18.246 3.686 253 HE1 PHE 31 1HE PHE 31 6.109 15.819 1.079 254 HE2 PHE 31 2HE PHE 31 8.136 19.494 2.082 255 HZ PHE 31 HZ PHE 31 6.392 18.272 0.784 256 H SER 32 H SER 32 12.049 15.828 5.846 257 HA SER 32 HA SER 32 12.843 18.299 6.940 258 1HB SER 32 1HB SER 32 14.151 16.035 6.259 259 2HB SER 32 2HB SER 32 14.691 17.112 4.987 260 HG SER 32 HG SER 32 16.037 17.197 6.836 261 H GLU 33 H GLU 33 12.565 17.331 3.518 262 HA GLU 33 HA GLU 33 12.164 20.173 2.785 263 1HB GLU 33 1HB GLU 33 14.402 18.397 1.956 264 2HB GLU 33 2HB GLU 33 13.712 19.461 0.747 265 1HG GLU 33 1HG GLU 33 14.244 21.392 2.008 266 2HG GLU 33 2HG GLU 33 14.623 20.441 3.431 267 H ASN 34 H ASN 34 11.557 20.257 0.364 268 HA ASN 34 HA ASN 34 9.173 19.081 -0.178 269 1HB ASN 34 1HB ASN 34 11.191 19.419 -2.366 270 2HB ASN 34 2HB ASN 34 9.452 19.625 -2.454 271 1HD2 ASN 34 2HD2 ASN 34 12.449 21.118 -1.993 272 2HD2 ASN 34 1HD2 ASN 34 11.865 22.701 -1.529 273 H GLN 35 H GLN 35 12.282 17.793 -1.275 274 HA GLN 35 HA GLN 35 11.797 15.472 -2.497 275 1HB GLN 35 1HB GLN 35 13.674 14.487 -1.205 276 2HB GLN 35 2HB GLN 35 13.999 16.038 -1.954 277 1HG GLN 35 1HG GLN 35 13.210 16.588 0.686 278 2HG GLN 35 2HG GLN 35 14.337 15.250 0.767 279 1HE2 GLN 35 2HE2 GLN 35 16.225 16.222 1.428 280 2HE2 GLN 35 1HE2 GLN 35 16.981 17.550 0.577 281 H TRP 36 H TRP 36 10.206 14.066 -2.261 282 HA TRP 36 HA TRP 36 8.612 13.693 -0.020 283 1HB TRP 36 1HB TRP 36 9.244 11.915 -2.348 284 2HB TRP 36 2HB TRP 36 8.024 11.503 -1.159 285 HD1 TRP 36 HD TRP 36 5.789 12.821 -1.154 286 HE1 TRP 36 1HE TRP 36 4.647 14.317 -2.901 287 HE3 TRP 36 3HE TRP 36 9.765 13.745 -4.201 288 HZ2 TRP 36 2HZ TRP 36 5.318 15.685 -5.346 289 HZ3 TRP 36 3HZ TRP 36 9.537 15.220 -6.177 290 HH2 TRP 36 HH TRP 36 7.315 16.181 -6.772 291 H GLY 37 H GLY 37 10.749 11.131 -1.218 292 1HA GLY 37 1HA GLY 37 12.255 11.064 1.249 293 2HA GLY 37 2HA GLY 37 11.204 9.674 1.066 294 HA PRO 38 HA PRO 38 14.191 9.272 -2.607 295 1HB PRO 38 1HB PRO 38 16.216 11.104 -2.932 296 2HB PRO 38 2HB PRO 38 14.694 11.182 -3.795 297 1HG PRO 38 1HG PRO 38 15.641 12.844 -1.573 298 2HG PRO 38 2HG PRO 38 14.336 13.153 -2.700 299 1HD PRO 38 1HD PRO 38 14.113 12.263 -0.006 300 2HD PRO 38 2HD PRO 38 12.815 12.488 -1.161 301 H GLN 39 H GLN 39 15.921 11.058 0.089 302 HA GLN 39 HA GLN 39 18.017 9.021 0.040 303 1HB GLN 39 1HB GLN 39 17.386 11.130 2.075 304 2HB GLN 39 2HB GLN 39 18.877 10.216 1.968 305 1HG GLN 39 1HG GLN 39 18.300 11.377 -0.585 306 2HG GLN 39 2HG GLN 39 18.211 12.626 0.641 307 1HE2 GLN 39 2HE2 GLN 39 20.074 12.625 -1.452 308 2HE2 GLN 39 1HE2 GLN 39 21.670 12.424 -0.762 309 H GLN 40 H GLN 40 14.908 9.097 1.309 310 HA GLN 40 HA GLN 40 15.492 6.996 3.297 311 1HB GLN 40 1HB GLN 40 14.308 9.303 3.810 312 2HB GLN 40 2HB GLN 40 12.893 8.406 3.300 313 1HG GLN 40 1HG GLN 40 13.283 8.242 5.735 314 2HG GLN 40 2HG GLN 40 13.339 6.684 4.939 315 1HE2 GLN 40 2HE2 GLN 40 14.830 5.420 5.944 316 2HE2 GLN 40 1HE2 GLN 40 16.430 5.951 6.414 317 H GLY 41 H GLY 41 14.521 7.224 0.219 318 1HA GLY 41 1HA GLY 41 13.496 4.634 -0.104 319 2HA GLY 41 2HA GLY 41 12.146 5.750 -0.041 320 HA PRO 42 HA PRO 42 14.544 7.293 -3.851 321 1HB PRO 42 1HB PRO 42 16.918 6.045 -4.542 322 2HB PRO 42 2HB PRO 42 16.812 7.551 -3.654 323 1HG PRO 42 1HG PRO 42 17.565 4.890 -2.669 324 2HG PRO 42 2HG PRO 42 17.797 6.448 -1.902 325 1HD PRO 42 1HD PRO 42 15.805 4.496 -1.291 326 2HD PRO 42 2HD PRO 42 15.998 6.080 -0.569 327 H SER 43 H SER 43 14.777 3.915 -3.090 328 HA SER 43 HA SER 43 13.789 3.206 -5.789 329 1HB SER 43 1HB SER 43 16.022 2.199 -4.272 330 2HB SER 43 2HB SER 43 14.857 0.915 -4.524 331 HG SER 43 HG SER 43 16.317 1.135 -6.293 332 H LEU 44 H LEU 44 12.021 4.215 -3.762 333 HA LEU 44 HA LEU 44 10.842 2.328 -2.091 334 1HB LEU 44 1HB LEU 44 10.273 4.884 -3.045 335 2HB LEU 44 2HB LEU 44 8.885 3.918 -3.499 336 HG LEU 44 HG LEU 44 10.003 3.781 -0.732 337 1HD1 LEU 44 1HD1 LEU 44 9.599 6.163 -1.236 338 2HD1 LEU 44 2HD1 LEU 44 7.946 5.745 -1.808 339 3HD1 LEU 44 3HD1 LEU 44 8.380 5.531 -0.077 340 1HD2 LEU 44 1HD2 LEU 44 7.276 3.306 -1.980 341 2HD2 LEU 44 2HD2 LEU 44 8.457 2.034 -1.509 342 3HD2 LEU 44 3HD2 LEU 44 7.689 3.058 -0.248 343 H ARG 45 H ARG 45 9.857 2.998 -5.555 344 HA ARG 45 HA ARG 45 8.161 0.745 -5.724 345 1HB ARG 45 1HB ARG 45 9.602 2.454 -7.591 346 2HB ARG 45 2HB ARG 45 9.212 0.861 -8.210 347 1HG ARG 45 1HG ARG 45 7.541 2.781 -8.568 348 2HG ARG 45 2HG ARG 45 6.940 1.214 -8.064 349 1HD ARG 45 1HD ARG 45 6.119 2.030 -6.140 350 2HD ARG 45 2HD ARG 45 7.576 2.945 -5.810 351 HE ARG 45 HE ARG 45 5.127 3.923 -6.983 352 1HH1 ARG 45 1HH2 ARG 45 8.601 4.491 -6.753 353 2HH1 ARG 45 2HH2 ARG 45 8.435 6.178 -7.188 354 1HH2 ARG 45 1HH1 ARG 45 5.014 6.062 -7.546 355 2HH2 ARG 45 2HH1 ARG 45 6.465 7.036 -7.622 356 H GLU 46 H GLU 46 11.628 0.691 -5.697 357 HA GLU 46 HA GLU 46 11.780 -2.115 -6.484 358 1HB GLU 46 1HB GLU 46 13.463 0.170 -6.299 359 2HB GLU 46 2HB GLU 46 14.174 -1.120 -5.351 360 1HG GLU 46 1HG GLU 46 13.090 -1.891 -7.980 361 2HG GLU 46 2HG GLU 46 14.517 -0.876 -8.008 362 H GLN 47 H GLN 47 11.849 -0.244 -3.506 363 HA GLN 47 HA GLN 47 12.532 -2.532 -1.853 364 1HB GLN 47 1HB GLN 47 12.371 0.358 -1.503 365 2HB GLN 47 2HB GLN 47 11.747 -0.557 -0.146 366 1HG GLN 47 1HG GLN 47 14.160 -1.802 -1.009 367 2HG GLN 47 2HG GLN 47 14.467 -0.084 -0.848 368 1HE2 GLN 47 2HE2 GLN 47 12.804 0.586 1.323 369 2HE2 GLN 47 1HE2 GLN 47 13.368 -0.268 2.741 370 H CYS 48 H CYS 48 9.723 -0.237 -1.974 371 HA CYS 48 HA CYS 48 7.894 -1.761 -0.541 372 1HB CYS 48 1HB CYS 48 6.889 0.103 -1.101 373 2HB CYS 48 2HB CYS 48 7.809 0.264 -2.582 374 H CYS 49 H CYS 49 8.720 -2.132 -4.018 375 HA CYS 49 HA CYS 49 6.921 -4.275 -4.508 376 1HB CYS 49 1HB CYS 49 9.415 -3.306 -5.706 377 2HB CYS 49 2HB CYS 49 9.000 -4.979 -6.025 378 H ASN 50 H ASN 50 9.527 -4.265 -2.350 379 HA ASN 50 HA ASN 50 9.600 -7.216 -2.201 380 1HB ASN 50 1HB ASN 50 11.693 -5.214 -2.116 381 2HB ASN 50 2HB ASN 50 11.708 -6.246 -0.700 382 1HD2 ASN 50 2HD2 ASN 50 11.263 -6.444 -4.214 383 2HD2 ASN 50 1HD2 ASN 50 12.151 -7.937 -4.418 384 H GLU 51 H GLU 51 9.661 -4.241 -0.217 385 HA GLU 51 HA GLU 51 9.361 -5.364 2.313 386 1HB GLU 51 1HB GLU 51 9.503 -3.209 2.851 387 2HB GLU 51 2HB GLU 51 9.418 -2.810 1.146 388 1HG GLU 51 1HG GLU 51 7.033 -2.646 1.249 389 2HG GLU 51 2HG GLU 51 7.029 -3.207 2.909 390 H LEU 52 H LEU 52 7.004 -4.931 -0.256 391 HA LEU 52 HA LEU 52 4.867 -5.749 1.547 392 1HB LEU 52 1HB LEU 52 3.544 -4.702 0.145 393 2HB LEU 52 2HB LEU 52 5.036 -4.012 -0.462 394 HG LEU 52 HG LEU 52 3.705 -4.572 -2.274 395 1HD1 LEU 52 1HD1 LEU 52 6.038 -5.175 -2.747 396 2HD1 LEU 52 2HD1 LEU 52 5.727 -6.823 -2.098 397 3HD1 LEU 52 3HD1 LEU 52 4.883 -6.269 -3.584 398 1HD2 LEU 52 1HD2 LEU 52 3.386 -7.271 -0.951 399 2HD2 LEU 52 2HD2 LEU 52 2.147 -5.978 -1.095 400 3HD2 LEU 52 3HD2 LEU 52 2.729 -6.832 -2.566 401 H TYR 53 H TYR 53 7.022 -7.107 -0.741 402 HA TYR 53 HA TYR 53 5.471 -9.462 -1.462 403 1HB TYR 53 1HB TYR 53 7.504 -7.992 -2.613 404 2HB TYR 53 2HB TYR 53 8.326 -9.429 -2.039 405 HD1 TYR 53 1HD TYR 53 7.060 -11.717 -2.652 406 HD2 TYR 53 2HD TYR 53 6.758 -7.995 -4.801 407 HE1 TYR 53 1HE TYR 53 6.597 -12.949 -4.770 408 HE2 TYR 53 2HE TYR 53 6.130 -9.223 -6.857 409 HH TYR 53 HH TYR 53 5.471 -11.215 -7.688 410 H GLN 54 H GLN 54 7.924 -8.504 0.772 411 HA GLN 54 HA GLN 54 9.113 -10.934 1.482 412 1HB GLN 54 1HB GLN 54 9.468 -9.835 3.705 413 2HB GLN 54 2HB GLN 54 10.077 -8.951 2.320 414 1HG GLN 54 1HG GLN 54 8.398 -7.335 2.467 415 2HG GLN 54 2HG GLN 54 7.408 -8.333 3.512 416 1HE2 GLN 54 2HE2 GLN 54 10.847 -7.745 3.920 417 2HE2 GLN 54 1HE2 GLN 54 10.713 -6.725 5.334 418 H GLU 55 H GLU 55 6.033 -9.520 2.296 419 HA GLU 55 HA GLU 55 5.402 -11.473 4.324 420 1HB GLU 55 1HB GLU 55 3.568 -9.571 2.908 421 2HB GLU 55 2HB GLU 55 3.298 -10.356 4.450 422 1HG GLU 55 1HG GLU 55 5.330 -8.221 3.858 423 2HG GLU 55 2HG GLU 55 3.887 -8.059 4.839 424 H ASP 56 H ASP 56 5.857 -11.975 1.230 425 HA ASP 56 HA ASP 56 5.310 -13.606 -0.236 426 1HB ASP 56 1HB ASP 56 4.632 -14.810 1.972 427 2HB ASP 56 2HB ASP 56 2.998 -14.491 1.425 428 H GLN 57 H GLN 57 2.962 -14.506 -1.268 429 HA GLN 57 HA GLN 57 1.761 -12.067 -2.361 430 1HB GLN 57 1HB GLN 57 1.936 -14.922 -3.078 431 2HB GLN 57 2HB GLN 57 0.502 -14.070 -3.615 432 1HG GLN 57 1HG GLN 57 2.510 -14.115 -5.191 433 2HG GLN 57 2HG GLN 57 1.734 -12.569 -4.908 434 1HE2 GLN 57 2HE2 GLN 57 4.286 -14.559 -3.305 435 2HE2 GLN 57 1HE2 GLN 57 5.371 -13.208 -3.065 436 H VAL 58 H VAL 58 1.018 -14.597 -0.159 437 HA VAL 58 HA VAL 58 -1.818 -14.220 -0.111 438 HB VAL 58 HB VAL 58 -0.445 -15.313 2.243 439 1HG1 VAL 58 1HG1 VAL 58 -2.864 -15.335 2.151 440 2HG1 VAL 58 2HG1 VAL 58 -2.810 -16.227 0.591 441 3HG1 VAL 58 3HG1 VAL 58 -2.228 -17.016 2.097 442 1HG2 VAL 58 1HG2 VAL 58 -0.396 -16.790 -0.402 443 2HG2 VAL 58 2HG2 VAL 58 1.029 -16.187 0.513 444 3HG2 VAL 58 3HG2 VAL 58 0.007 -17.497 1.200 445 H CYS 59 H CYS 59 0.708 -12.354 0.991 446 HA CYS 59 HA CYS 59 -0.970 -10.803 2.850 447 1HB CYS 59 1HB CYS 59 1.955 -11.094 2.562 448 2HB CYS 59 2HB CYS 59 1.214 -9.786 3.461 449 H VAL 60 H VAL 60 0.589 -10.788 -0.232 450 HA VAL 60 HA VAL 60 0.738 -8.029 -0.732 451 HB VAL 60 HB VAL 60 0.207 -10.406 -2.423 452 1HG1 VAL 60 1HG1 VAL 60 -1.192 -8.641 -3.422 453 2HG1 VAL 60 2HG1 VAL 60 0.220 -7.529 -3.413 454 3HG1 VAL 60 3HG1 VAL 60 0.235 -8.995 -4.455 455 1HG2 VAL 60 1HG2 VAL 60 2.399 -8.339 -2.196 456 2HG2 VAL 60 2HG2 VAL 60 2.420 -10.005 -1.520 457 3HG2 VAL 60 3HG2 VAL 60 2.420 -9.758 -3.301 458 H CYS 61 H CYS 61 -2.014 -10.036 -0.348 459 HA CYS 61 HA CYS 61 -3.752 -7.991 0.179 460 1HB CYS 61 1HB CYS 61 -3.400 -8.350 -2.621 461 2HB CYS 61 2HB CYS 61 -5.054 -8.707 -2.166 462 HA PRO 62 HA PRO 62 -6.059 -7.768 -0.252 463 1HB PRO 62 1HB PRO 62 -8.104 -7.855 1.572 464 2HB PRO 62 2HB PRO 62 -8.280 -8.183 -0.139 465 1HG PRO 62 1HG PRO 62 -8.365 -10.054 2.098 466 2HG PRO 62 2HG PRO 62 -8.856 -10.310 0.437 467 1HD PRO 62 1HD PRO 62 -6.417 -11.188 1.706 468 2HD PRO 62 2HD PRO 62 -6.924 -11.471 0.054 469 H THR 63 H THR 63 -4.535 -9.396 2.138 470 HA THR 63 HA THR 63 -4.433 -7.996 4.470 471 HB THR 63 HB THR 63 -1.765 -8.544 3.509 472 HG1 THR 63 1HG THR 63 -2.275 -10.747 3.006 473 1HG2 THR 63 1HG2 THR 63 -2.463 -8.706 5.889 474 2HG2 THR 63 2HG2 THR 63 -3.552 -10.062 5.433 475 3HG2 THR 63 3HG2 THR 63 -1.771 -10.242 5.262 476 H LEU 64 H LEU 64 -2.622 -6.991 1.484 477 HA LEU 64 HA LEU 64 -1.554 -4.600 2.511 478 1HB LEU 64 1HB LEU 64 -1.933 -5.825 0.016 479 2HB LEU 64 2HB LEU 64 -2.587 -4.205 -0.126 480 HG LEU 64 HG LEU 64 0.041 -4.450 1.181 481 1HD1 LEU 64 1HD1 LEU 64 0.293 -6.039 -0.649 482 2HD1 LEU 64 2HD1 LEU 64 -0.319 -4.799 -1.797 483 3HD1 LEU 64 3HD1 LEU 64 1.245 -4.545 -0.947 484 1HD2 LEU 64 1HD2 LEU 64 -1.040 -2.585 -0.950 485 2HD2 LEU 64 2HD2 LEU 64 -0.987 -2.247 0.815 486 3HD2 LEU 64 3HD2 LEU 64 0.543 -2.425 -0.114 487 H LYS 65 H LYS 65 -4.837 -5.168 1.210 488 HA LYS 65 HA LYS 65 -5.894 -2.605 1.428 489 1HB LYS 65 1HB LYS 65 -7.409 -5.064 2.236 490 2HB LYS 65 2HB LYS 65 -8.059 -3.565 1.604 491 1HG LYS 65 1HG LYS 65 -6.060 -4.724 -0.168 492 2HG LYS 65 2HG LYS 65 -7.397 -5.821 0.116 493 1HD LYS 65 1HD LYS 65 -7.628 -4.307 -1.872 494 2HD LYS 65 2HD LYS 65 -8.962 -4.276 -0.736 495 1HE LYS 65 1HE LYS 65 -8.360 -2.183 0.107 496 2HE LYS 65 2HE LYS 65 -6.704 -2.331 -0.445 497 1HZ LYS 65 1HZ LYS 65 -7.483 -2.116 -2.687 498 2HZ LYS 65 2HZ LYS 65 -9.049 -1.977 -2.165 499 3HZ LYS 65 3HZ LYS 65 -7.943 -0.803 -1.788 500 H GLN 66 H GLN 66 -5.284 -4.871 4.095 501 HA GLN 66 HA GLN 66 -6.413 -3.349 6.188 502 1HB GLN 66 1HB GLN 66 -5.263 -5.747 6.082 503 2HB GLN 66 2HB GLN 66 -3.900 -4.829 6.690 504 1HG GLN 66 1HG GLN 66 -4.939 -4.349 8.679 505 2HG GLN 66 2HG GLN 66 -6.531 -4.290 7.949 506 1HE2 GLN 66 2HE2 GLN 66 -3.875 -6.630 8.524 507 2HE2 GLN 66 1HE2 GLN 66 -4.940 -7.979 8.849 508 H ALA 67 H ALA 67 -2.975 -3.379 5.084 509 HA ALA 67 HA ALA 67 -2.305 -1.127 6.690 510 1HB ALA 67 1HB ALA 67 -0.646 -2.715 5.996 511 2HB ALA 67 2HB ALA 67 -0.956 -2.319 4.269 512 3HB ALA 67 3HB ALA 67 -0.229 -1.086 5.359 513 H ALA 68 H ALA 68 -4.248 -1.241 3.958 514 HA ALA 68 HA ALA 68 -3.734 1.529 3.121 515 1HB ALA 68 1HB ALA 68 -3.746 -0.153 1.337 516 2HB ALA 68 2HB ALA 68 -5.387 -0.679 1.852 517 3HB ALA 68 3HB ALA 68 -5.141 0.966 1.170 518 H LYS 69 H LYS 69 -5.948 -0.435 4.920 519 HA LYS 69 HA LYS 69 -8.227 1.294 4.773 520 1HB LYS 69 1HB LYS 69 -7.410 -1.044 6.411 521 2HB LYS 69 2HB LYS 69 -8.715 -0.033 6.999 522 1HG LYS 69 1HG LYS 69 -8.632 -1.352 4.289 523 2HG LYS 69 2HG LYS 69 -9.543 -1.937 5.666 524 1HD LYS 69 1HD LYS 69 -10.667 0.382 5.650 525 2HD LYS 69 2HD LYS 69 -10.009 0.535 4.034 526 1HE LYS 69 1HE LYS 69 -11.912 -0.500 3.390 527 2HE LYS 69 2HE LYS 69 -11.109 -1.957 3.938 528 1HZ LYS 69 1HZ LYS 69 -12.132 -1.659 6.078 529 2HZ LYS 69 2HZ LYS 69 -12.890 -0.279 5.560 530 3HZ LYS 69 3HZ LYS 69 -13.287 -1.743 4.896 531 H SER 70 H SER 70 -5.413 1.101 6.906 532 HA SER 70 HA SER 70 -6.368 3.307 8.572 533 1HB SER 70 1HB SER 70 -4.918 1.523 9.454 534 2HB SER 70 2HB SER 70 -3.652 2.031 8.355 535 HG SER 70 HG SER 70 -3.447 2.993 10.432 536 H VAL 71 H VAL 71 -4.352 2.923 5.711 537 HA VAL 71 HA VAL 71 -2.987 5.350 5.682 538 HB VAL 71 HB VAL 71 -3.922 3.405 3.712 539 1HG1 VAL 71 1HG1 VAL 71 -4.596 5.422 2.548 540 2HG1 VAL 71 2HG1 VAL 71 -2.958 6.111 2.820 541 3HG1 VAL 71 3HG1 VAL 71 -3.162 4.659 1.780 542 1HG2 VAL 71 1HG2 VAL 71 -1.283 4.825 4.127 543 2HG2 VAL 71 2HG2 VAL 71 -1.727 3.200 4.754 544 3HG2 VAL 71 3HG2 VAL 71 -1.580 3.469 2.983 545 H ARG 72 H ARG 72 -6.345 4.817 5.223 546 HA ARG 72 HA ARG 72 -6.911 7.646 4.583 547 1HB ARG 72 1HB ARG 72 -9.269 6.460 4.272 548 2HB ARG 72 2HB ARG 72 -8.094 6.516 2.973 549 1HG ARG 72 1HG ARG 72 -7.337 4.291 3.531 550 2HG ARG 72 2HG ARG 72 -8.454 4.232 4.881 551 1HD ARG 72 1HD ARG 72 -9.315 4.505 2.044 552 2HD ARG 72 2HD ARG 72 -9.138 2.967 2.865 553 HE ARG 72 HE ARG 72 -10.748 4.703 4.432 554 1HH1 ARG 72 1HH2 ARG 72 -10.927 2.618 1.637 555 2HH1 ARG 72 2HH2 ARG 72 -12.673 2.544 1.687 556 1HH2 ARG 72 1HH1 ARG 72 -12.981 4.676 4.385 557 2HH2 ARG 72 2HH1 ARG 72 -13.809 3.683 3.208 558 H VAL 73 H VAL 73 -6.628 8.436 6.597 559 HA VAL 73 HA VAL 73 -7.507 7.631 9.067 560 HB VAL 73 HB VAL 73 -7.967 10.405 8.010 561 1HG1 VAL 73 1HG1 VAL 73 -8.923 10.037 10.243 562 2HG1 VAL 73 2HG1 VAL 73 -7.331 9.426 10.813 563 3HG1 VAL 73 3HG1 VAL 73 -7.509 11.145 10.318 564 1HG2 VAL 73 1HG2 VAL 73 -5.405 9.209 9.116 565 2HG2 VAL 73 2HG2 VAL 73 -5.696 9.712 7.415 566 3HG2 VAL 73 3HG2 VAL 73 -5.663 10.945 8.723 567 H GLN 74 H GLN 74 -9.446 7.877 10.291 568 HA GLN 74 HA GLN 74 -11.737 6.809 9.307 569 1HB GLN 74 1HB GLN 74 -11.106 8.530 11.585 570 2HB GLN 74 2HB GLN 74 -12.778 8.640 11.076 571 1HG GLN 74 1HG GLN 74 -12.937 6.173 11.154 572 2HG GLN 74 2HG GLN 74 -11.287 6.103 11.737 573 1HE2 GLN 74 2HE2 GLN 74 -10.874 6.413 13.892 574 2HE2 GLN 74 1HE2 GLN 74 -12.107 6.818 15.066 575 H GLY 75 H GLY 75 -13.823 7.569 8.665 576 1HA GLY 75 1HA GLY 75 -13.952 9.105 6.431 577 2HA GLY 75 2HA GLY 75 -15.297 8.940 7.541 578 H GLN 76 H GLN 76 -14.162 10.494 9.708 579 HA GLN 76 HA GLN 76 -14.233 13.218 9.046 580 1HB GLN 76 1HB GLN 76 -12.984 11.758 11.342 581 2HB GLN 76 2HB GLN 76 -13.104 13.503 11.252 582 1HG GLN 76 1HG GLN 76 -15.615 13.055 10.773 583 2HG GLN 76 2HG GLN 76 -15.292 11.478 11.463 584 1HE2 GLN 76 2HE2 GLN 76 -16.475 11.672 13.348 585 2HE2 GLN 76 1HE2 GLN 76 -16.106 12.849 14.588 586 H HIS 77 H HIS 77 -12.733 12.583 7.008 587 HA HIS 77 HA HIS 77 -10.337 14.177 7.458 588 1HB HIS 77 1HB HIS 77 -9.826 11.693 7.781 589 2HB HIS 77 2HB HIS 77 -10.018 11.566 6.044 590 HD1 HIS 77 1HD HIS 77 -7.612 12.908 8.658 591 HD2 HIS 77 2HD HIS 77 -8.200 12.870 4.490 592 HE1 HIS 77 1HE HIS 77 -5.385 13.667 7.597 593 HE2 HIS 77 2HE HIS 77 -5.754 13.629 5.045 594 H GLY 78 H GLY 78 -13.029 14.202 6.017 595 1HA GLY 78 1HA GLY 78 -13.889 14.988 4.069 596 2HA GLY 78 2HA GLY 78 -12.290 15.588 3.674 597 HA PRO 79 HA PRO 79 -13.433 11.820 1.089 598 1HB PRO 79 1HB PRO 79 -14.589 13.009 -1.120 599 2HB PRO 79 2HB PRO 79 -15.479 12.225 0.168 600 1HG PRO 79 1HG PRO 79 -15.218 15.091 -0.408 601 2HG PRO 79 2HG PRO 79 -16.388 14.277 0.610 602 1HD PRO 79 1HD PRO 79 -14.112 15.750 1.456 603 2HD PRO 79 2HD PRO 79 -15.209 14.828 2.466 604 H PHE 80 H PHE 80 -11.419 11.401 0.378 605 HA PHE 80 HA PHE 80 -10.296 12.528 -1.949 606 1HB PHE 80 1HB PHE 80 -9.987 14.298 0.136 607 2HB PHE 80 2HB PHE 80 -8.476 13.412 0.138 608 HD1 PHE 80 1HD PHE 80 -6.762 14.421 -0.979 609 HD2 PHE 80 2HD PHE 80 -10.793 14.797 -2.501 610 HE1 PHE 80 1HE PHE 80 -5.941 15.883 -2.826 611 HE2 PHE 80 2HE PHE 80 -9.972 16.265 -4.340 612 HZ PHE 80 HZ PHE 80 -7.547 16.808 -4.487 613 H GLN 81 H GLN 81 -9.488 11.239 1.246 614 HA GLN 81 HA GLN 81 -6.958 10.149 0.649 615 1HB GLN 81 1HB GLN 81 -8.863 9.997 2.866 616 2HB GLN 81 2HB GLN 81 -7.846 8.582 2.679 617 1HG GLN 81 1HG GLN 81 -6.918 10.292 4.196 618 2HG GLN 81 2HG GLN 81 -5.875 9.888 2.846 619 1HE2 GLN 81 2HE2 GLN 81 -4.762 11.928 3.244 620 2HE2 GLN 81 1HE2 GLN 81 -5.479 13.418 2.672 621 H SER 82 H SER 82 -9.574 7.987 1.675 622 HA SER 82 HA SER 82 -8.881 5.749 0.274 623 1HB SER 82 1HB SER 82 -11.749 6.363 0.190 624 2HB SER 82 2HB SER 82 -10.918 4.962 0.839 625 HG SER 82 HG SER 82 -11.839 6.279 2.492 626 H THR 83 H THR 83 -10.775 8.459 -1.001 627 HA THR 83 HA THR 83 -11.319 7.586 -3.551 628 HB THR 83 HB THR 83 -10.949 10.158 -2.281 629 HG1 THR 83 1HG THR 83 -12.849 10.504 -3.495 630 1HG2 THR 83 1HG2 THR 83 -9.447 10.637 -4.184 631 2HG2 THR 83 2HG2 THR 83 -10.732 10.073 -5.306 632 3HG2 THR 83 3HG2 THR 83 -10.998 11.537 -4.300 633 H ARG 84 H ARG 84 -8.280 9.363 -2.791 634 HA ARG 84 HA ARG 84 -7.103 8.571 -5.330 635 1HB ARG 84 1HB ARG 84 -6.779 10.770 -3.669 636 2HB ARG 84 2HB ARG 84 -5.290 9.867 -3.475 637 1HG ARG 84 1HG ARG 84 -4.877 11.202 -5.365 638 2HG ARG 84 2HG ARG 84 -5.322 9.648 -6.041 639 1HD ARG 84 1HD ARG 84 -7.732 10.714 -5.987 640 2HD ARG 84 2HD ARG 84 -6.816 12.206 -6.040 641 HE ARG 84 HE ARG 84 -5.835 10.417 -8.026 642 1HH1 ARG 84 1HH2 ARG 84 -8.623 12.431 -7.402 643 2HH1 ARG 84 2HH2 ARG 84 -8.947 12.671 -9.104 644 1HH2 ARG 84 1HH1 ARG 84 -6.292 10.782 -10.193 645 2HH2 ARG 84 2HH1 ARG 84 -7.668 11.766 -10.636 646 H ILE 85 H ILE 85 -6.453 8.069 -1.920 647 HA ILE 85 HA ILE 85 -4.280 6.496 -1.781 648 HB ILE 85 HB ILE 85 -6.865 6.253 -0.324 649 1HG1 ILE 85 1HG1 ILE 85 -5.603 8.166 0.257 650 2HG1 ILE 85 2HG1 ILE 85 -5.450 7.025 1.577 651 1HG2 ILE 85 1HG2 ILE 85 -6.065 3.950 -0.435 652 2HG2 ILE 85 2HG2 ILE 85 -4.450 4.476 0.154 653 3HG2 ILE 85 3HG2 ILE 85 -5.884 4.598 1.233 654 1HD1 ILE 85 1HD1 ILE 85 -3.215 6.349 0.767 655 2HD1 ILE 85 2HD1 ILE 85 -3.370 7.519 -0.589 656 3HD1 ILE 85 3HD1 ILE 85 -3.290 8.113 1.107 657 H TYR 86 H TYR 86 -7.556 5.203 -2.504 658 HA TYR 86 HA TYR 86 -6.514 2.686 -3.419 659 1HB TYR 86 1HB TYR 86 -9.104 4.131 -3.595 660 2HB TYR 86 2HB TYR 86 -8.842 2.673 -4.530 661 HD1 TYR 86 1HD TYR 86 -9.813 0.821 -3.650 662 HD2 TYR 86 2HD TYR 86 -8.124 3.761 -0.987 663 HE1 TYR 86 1HE TYR 86 -10.535 -0.529 -1.687 664 HE2 TYR 86 2HE TYR 86 -8.647 2.312 0.965 665 HH TYR 86 HH TYR 86 -9.571 0.371 1.636 666 H GLN 87 H GLN 87 -7.830 5.563 -5.239 667 HA GLN 87 HA GLN 87 -7.355 4.599 -7.798 668 1HB GLN 87 1HB GLN 87 -7.844 7.114 -6.626 669 2HB GLN 87 2HB GLN 87 -6.562 7.300 -7.805 670 1HG GLN 87 1HG GLN 87 -7.905 6.529 -9.561 671 2HG GLN 87 2HG GLN 87 -9.056 5.782 -8.471 672 1HE2 GLN 87 2HE2 GLN 87 -10.699 7.053 -7.507 673 2HE2 GLN 87 1HE2 GLN 87 -10.971 8.719 -7.965 674 H ILE 88 H ILE 88 -4.880 5.295 -5.538 675 HA ILE 88 HA ILE 88 -2.771 5.183 -7.600 676 HB ILE 88 HB ILE 88 -2.861 6.396 -4.855 677 1HG1 ILE 88 1HG1 ILE 88 -1.969 7.867 -7.284 678 2HG1 ILE 88 2HG1 ILE 88 -3.682 7.528 -7.147 679 1HG2 ILE 88 1HG2 ILE 88 -0.719 5.238 -5.173 680 2HG2 ILE 88 2HG2 ILE 88 -0.509 6.081 -6.747 681 3HG2 ILE 88 3HG2 ILE 88 -0.501 7.023 -5.215 682 1HD1 ILE 88 1HD1 ILE 88 -3.727 8.559 -4.901 683 2HD1 ILE 88 2HD1 ILE 88 -1.969 8.905 -5.043 684 3HD1 ILE 88 3HD1 ILE 88 -3.136 9.719 -6.140 685 H ALA 89 H ALA 89 -3.913 3.849 -4.499 686 HA ALA 89 HA ALA 89 -1.877 1.805 -4.404 687 1HB ALA 89 1HB ALA 89 -2.860 2.647 -2.342 688 2HB ALA 89 2HB ALA 89 -4.482 2.093 -2.883 689 3HB ALA 89 3HB ALA 89 -3.194 0.889 -2.526 690 H LYS 90 H LYS 90 -4.230 2.132 -6.575 691 HA LYS 90 HA LYS 90 -5.124 -0.658 -6.709 692 1HB LYS 90 1HB LYS 90 -6.656 0.078 -8.384 693 2HB LYS 90 2HB LYS 90 -6.751 1.156 -7.005 694 1HG LYS 90 1HG LYS 90 -6.417 2.889 -8.352 695 2HG LYS 90 2HG LYS 90 -4.845 2.245 -8.782 696 1HD LYS 90 1HD LYS 90 -5.649 1.223 -10.708 697 2HD LYS 90 2HD LYS 90 -7.305 1.226 -10.135 698 1HE LYS 90 1HE LYS 90 -6.887 2.872 -11.949 699 2HE LYS 90 2HE LYS 90 -7.480 3.600 -10.469 700 1HZ LYS 90 1HZ LYS 90 -5.245 4.250 -9.949 701 2HZ LYS 90 2HZ LYS 90 -4.684 3.562 -11.347 702 3HZ LYS 90 3HZ LYS 90 -5.702 4.865 -11.416 703 H ASN 91 H ASN 91 -3.049 1.625 -8.327 704 HA ASN 91 HA ASN 91 -2.190 -0.332 -10.297 705 1HB ASN 91 1HB ASN 91 -1.752 2.530 -9.774 706 2HB ASN 91 2HB ASN 91 -0.439 1.675 -10.556 707 1HD2 ASN 91 2HD2 ASN 91 -3.896 2.364 -10.753 708 2HD2 ASN 91 1HD2 ASN 91 -4.021 2.136 -12.483 709 H LEU 92 H LEU 92 -1.704 -0.323 -7.106 710 HA LEU 92 HA LEU 92 1.098 -0.606 -6.845 711 1HB LEU 92 1HB LEU 92 -1.298 -1.226 -5.338 712 2HB LEU 92 2HB LEU 92 -0.010 -2.384 -5.070 713 HG LEU 92 HG LEU 92 0.346 0.573 -4.855 714 1HD1 LEU 92 1HD1 LEU 92 -1.317 -0.184 -3.229 715 2HD1 LEU 92 2HD1 LEU 92 -0.195 -1.484 -2.693 716 3HD1 LEU 92 3HD1 LEU 92 0.226 0.242 -2.410 717 1HD2 LEU 92 1HD2 LEU 92 2.046 -1.764 -3.911 718 2HD2 LEU 92 2HD2 LEU 92 2.416 -0.685 -5.301 719 3HD2 LEU 92 3HD2 LEU 92 2.407 -0.025 -3.630 720 HA PRO 93 HA PRO 93 0.824 -5.209 -7.855 721 1HB PRO 93 1HB PRO 93 -1.522 -6.258 -8.815 722 2HB PRO 93 2HB PRO 93 -1.012 -6.329 -7.140 723 1HG PRO 93 1HG PRO 93 -3.130 -4.688 -8.355 724 2HG PRO 93 2HG PRO 93 -2.885 -5.094 -6.668 725 1HD PRO 93 1HD PRO 93 -2.222 -2.671 -7.989 726 2HD PRO 93 2HD PRO 93 -1.933 -3.095 -6.312 727 H ASN 94 H ASN 94 -0.310 -2.691 -9.767 728 HA ASN 94 HA ASN 94 -0.008 -4.064 -12.346 729 1HB ASN 94 1HB ASN 94 -0.602 -1.218 -11.574 730 2HB ASN 94 2HB ASN 94 -0.505 -1.789 -13.228 731 1HD2 ASN 94 2HD2 ASN 94 -2.768 -0.535 -12.206 732 2HD2 ASN 94 1HD2 ASN 94 -4.065 -1.704 -12.099 733 H VAL 95 H VAL 95 1.583 -1.567 -10.400 734 HA VAL 95 HA VAL 95 3.858 -1.484 -12.280 735 HB VAL 95 HB VAL 95 3.419 0.383 -9.982 736 1HG1 VAL 95 1HG1 VAL 95 5.651 0.397 -11.034 737 2HG1 VAL 95 2HG1 VAL 95 4.882 0.649 -12.640 738 3HG1 VAL 95 3HG1 VAL 95 4.770 1.926 -11.378 739 1HG2 VAL 95 1HG2 VAL 95 2.371 0.743 -12.822 740 2HG2 VAL 95 2HG2 VAL 95 1.357 0.491 -11.359 741 3HG2 VAL 95 3HG2 VAL 95 2.339 1.988 -11.524 742 H CYS 96 H CYS 96 2.928 -2.803 -9.361 743 HA CYS 96 HA CYS 96 5.671 -3.603 -8.689 744 1HB CYS 96 1HB CYS 96 3.861 -2.054 -7.078 745 2HB CYS 96 2HB CYS 96 4.182 -3.594 -6.303 746 H ASN 97 H ASN 97 3.947 -4.991 -10.464 747 HA ASN 97 HA ASN 97 2.229 -6.904 -9.786 748 1HB ASN 97 1HB ASN 97 4.744 -7.134 -11.345 749 2HB ASN 97 2HB ASN 97 3.815 -8.584 -11.024 750 1HD2 ASN 97 2HD2 ASN 97 3.653 -5.340 -12.371 751 2HD2 ASN 97 1HD2 ASN 97 2.364 -5.679 -13.504 752 H MET 98 H MET 98 1.905 -7.911 -7.968 753 HA MET 98 HA MET 98 4.023 -9.533 -6.763 754 1HB MET 98 1HB MET 98 3.629 -8.529 -4.526 755 2HB MET 98 2HB MET 98 4.415 -7.455 -5.665 756 1HG MET 98 1HG MET 98 1.827 -6.812 -6.086 757 2HG MET 98 2HG MET 98 1.770 -7.258 -4.392 758 1HE MET 98 1HE MET 98 0.697 -4.544 -4.659 759 2HE MET 98 2HE MET 98 1.261 -5.177 -3.072 760 3HE MET 98 3HE MET 98 1.756 -3.533 -3.614 761 H LYS 99 H LYS 99 1.196 -9.574 -8.092 762 HA LYS 99 HA LYS 99 0.302 -11.777 -6.398 763 1HB LYS 99 1HB LYS 99 -0.900 -10.173 -5.254 764 2HB LYS 99 2HB LYS 99 -1.191 -9.225 -6.700 765 1HG LYS 99 1HG LYS 99 -2.546 -11.464 -7.324 766 2HG LYS 99 2HG LYS 99 -2.719 -11.470 -5.580 767 1HD LYS 99 1HD LYS 99 -4.555 -10.258 -6.594 768 2HD LYS 99 2HD LYS 99 -3.549 -9.166 -5.665 769 1HE LYS 99 1HE LYS 99 -2.463 -9.110 -8.229 770 2HE LYS 99 2HE LYS 99 -4.197 -9.095 -8.476 771 1HZ LYS 99 1HZ LYS 99 -4.357 -7.317 -6.896 772 2HZ LYS 99 2HZ LYS 99 -2.718 -7.331 -6.663 773 3HZ LYS 99 3HZ LYS 99 -3.341 -6.893 -8.133 774 H GLN 100 H GLN 100 0.810 -13.088 -8.042 775 HA GLN 100 HA GLN 100 -0.526 -12.627 -10.609 776 1HB GLN 100 1HB GLN 100 1.880 -13.549 -10.124 777 2HB GLN 100 2HB GLN 100 1.031 -15.081 -10.077 778 1HG GLN 100 1HG GLN 100 0.586 -13.146 -12.321 779 2HG GLN 100 2HG GLN 100 1.956 -14.239 -12.347 780 1HE2 GLN 100 2HE2 GLN 100 -0.991 -13.863 -13.658 781 2HE2 GLN 100 1HE2 GLN 100 -1.465 -15.539 -13.830 782 H ILE 101 H ILE 101 -2.091 -13.203 -8.124 783 HA ILE 101 HA ILE 101 -3.405 -15.708 -9.005 784 HB ILE 101 HB ILE 101 -2.696 -16.432 -7.017 785 1HG1 ILE 101 1HG1 ILE 101 -4.867 -14.887 -5.700 786 2HG1 ILE 101 2HG1 ILE 101 -5.280 -15.985 -7.001 787 1HG2 ILE 101 1HG2 ILE 101 -1.317 -14.489 -6.411 788 2HG2 ILE 101 2HG2 ILE 101 -2.788 -13.627 -5.840 789 3HG2 ILE 101 3HG2 ILE 101 -2.221 -15.104 -4.984 790 1HD1 ILE 101 1HD1 ILE 101 -4.205 -17.848 -5.802 791 2HD1 ILE 101 2HD1 ILE 101 -3.781 -16.720 -4.466 792 3HD1 ILE 101 3HD1 ILE 101 -5.505 -17.090 -4.819 793 H GLY 102 H GLY 102 -4.023 -12.699 -7.207 794 1HA GLY 102 1HA GLY 102 -5.761 -11.171 -8.051 795 2HA GLY 102 2HA GLY 102 -6.658 -12.573 -8.601 796 H THR 103 H THR 103 -4.982 -11.915 -5.517 797 HA THR 103 HA THR 103 -7.186 -12.778 -3.915 798 HB THR 103 HB THR 103 -5.113 -12.959 -2.905 799 HG1 THR 103 1HG THR 103 -5.361 -11.454 -1.217 800 1HG2 THR 103 1HG2 THR 103 -3.784 -11.399 -4.357 801 2HG2 THR 103 2HG2 THR 103 -4.538 -10.020 -3.482 802 3HG2 THR 103 3HG2 THR 103 -3.464 -11.164 -2.603 803 H CYS 104 H CYS 104 -5.900 -9.450 -4.452 804 HA CYS 104 HA CYS 104 -8.643 -8.431 -3.989 805 1HB CYS 104 1HB CYS 104 -7.819 -6.553 -2.923 806 2HB CYS 104 2HB CYS 104 -6.887 -7.888 -2.272 807 HA PRO 105 HA PRO 105 -7.315 -7.422 -8.311 808 1HB PRO 105 1HB PRO 105 -9.360 -8.682 -9.659 809 2HB PRO 105 2HB PRO 105 -7.792 -9.396 -9.340 810 1HG PRO 105 1HG PRO 105 -10.385 -10.001 -8.093 811 2HG PRO 105 2HG PRO 105 -8.922 -10.966 -8.118 812 1HD PRO 105 1HD PRO 105 -9.889 -9.350 -5.986 813 2HD PRO 105 2HD PRO 105 -8.385 -10.246 -6.043 814 H PHE 106 H PHE 106 -8.427 -5.731 -6.525 815 HA PHE 106 HA PHE 106 -10.971 -4.645 -7.484 816 1HB PHE 106 1HB PHE 106 -10.905 -3.405 -5.568 817 2HB PHE 106 2HB PHE 106 -9.850 -4.714 -5.074 818 HD1 PHE 106 1HD PHE 106 -7.293 -4.358 -5.212 819 HD2 PHE 106 2HD PHE 106 -10.148 -1.148 -5.706 820 HE1 PHE 106 1HE PHE 106 -5.485 -2.698 -4.763 821 HE2 PHE 106 2HE PHE 106 -8.339 0.495 -5.231 822 HZ PHE 106 HZ PHE 106 -6.068 -0.277 -4.635 823 H ILE 107 H ILE 107 -11.153 -2.481 -8.226 824 HA ILE 107 HA ILE 107 -9.231 -0.673 -8.998 825 HB ILE 107 HB ILE 107 -9.338 -1.318 -11.567 826 1HG1 ILE 107 1HG1 ILE 107 -8.720 -4.048 -10.586 827 2HG1 ILE 107 2HG1 ILE 107 -10.403 -3.601 -10.786 828 1HG2 ILE 107 1HG2 ILE 107 -7.321 -0.639 -10.416 829 2HG2 ILE 107 2HG2 ILE 107 -7.198 -2.256 -9.639 830 3HG2 ILE 107 3HG2 ILE 107 -6.992 -2.095 -11.417 831 1HD1 ILE 107 1HD1 ILE 107 -10.004 -3.067 -13.146 832 2HD1 ILE 107 2HD1 ILE 107 -8.279 -3.526 -12.940 833 3HD1 ILE 107 3HD1 ILE 107 -9.565 -4.768 -12.762 834 H ALA 108 H ALA 108 -12.081 -2.400 -10.273 835 HA ALA 108 HA ALA 108 -13.281 -0.052 -11.433 836 1HB ALA 108 1HB ALA 108 -13.703 -2.286 -12.348 837 2HB ALA 108 2HB ALA 108 -14.413 -2.801 -10.778 838 3HB ALA 108 3HB ALA 108 -15.240 -1.551 -11.771 839 H ILE 109 H ILE 109 -12.622 0.878 -9.061 840 HA ILE 109 HA ILE 109 -14.491 0.566 -6.939 841 HB ILE 109 HB ILE 109 -12.633 2.818 -7.629 842 1HG1 ILE 109 1HG1 ILE 109 -11.905 1.179 -5.349 843 2HG1 ILE 109 2HG1 ILE 109 -12.029 0.223 -6.812 844 1HG2 ILE 109 1HG2 ILE 109 -14.385 3.616 -6.102 845 2HG2 ILE 109 2HG2 ILE 109 -14.054 2.231 -5.006 846 3HG2 ILE 109 3HG2 ILE 109 -12.803 3.499 -5.257 847 1HD1 ILE 109 1HD1 ILE 109 -10.480 1.759 -7.975 848 2HD1 ILE 109 2HD1 ILE 109 -10.353 2.740 -6.473 849 3HD1 ILE 109 3HD1 ILE 109 -9.728 1.055 -6.501 Start of MODEL 11 1 1H GLN 1 1H GLN 1 -5.915 -15.462 -1.117 2 2H GLN 1 2H GLN 1 -6.987 -16.684 -1.429 3 3H GLN 1 3H GLN 1 -7.185 -15.205 -2.146 4 HA GLN 1 HA GLN 1 -7.566 -14.192 -0.027 5 1HB GLN 1 1HB GLN 1 -9.291 -16.345 -1.112 6 2HB GLN 1 2HB GLN 1 -9.756 -15.590 0.399 7 1HG GLN 1 1HG GLN 1 -9.048 -13.450 -1.225 8 2HG GLN 1 2HG GLN 1 -9.899 -14.534 -2.307 9 1HE2 GLN 1 2HE2 GLN 1 -10.239 -12.124 0.026 10 2HE2 GLN 1 1HE2 GLN 1 -11.934 -12.346 0.400 11 HA PRO 2 HA PRO 2 -5.758 -17.418 2.754 12 1HB PRO 2 1HB PRO 2 -3.651 -15.928 3.715 13 2HB PRO 2 2HB PRO 2 -3.540 -17.068 2.390 14 1HG PRO 2 1HG PRO 2 -3.513 -14.129 2.303 15 2HG PRO 2 2HG PRO 2 -2.980 -15.271 1.086 16 1HD PRO 2 1HD PRO 2 -5.401 -13.815 1.143 17 2HD PRO 2 2HD PRO 2 -4.910 -15.026 -0.024 18 H GLN 3 H GLN 3 -5.044 -16.941 5.224 19 HA GLN 3 HA GLN 3 -6.673 -14.704 6.287 20 1HB GLN 3 1HB GLN 3 -7.659 -17.198 6.291 21 2HB GLN 3 2HB GLN 3 -6.717 -17.265 7.766 22 1HG GLN 3 1HG GLN 3 -7.861 -15.273 8.607 23 2HG GLN 3 2HG GLN 3 -8.774 -15.153 7.117 24 1HE2 GLN 3 2HE2 GLN 3 -8.235 -17.116 10.015 25 2HE2 GLN 3 1HE2 GLN 3 -9.759 -17.971 9.938 26 H LYS 4 H LYS 4 -4.189 -17.178 6.805 27 HA LYS 4 HA LYS 4 -3.262 -16.149 9.288 28 1HB LYS 4 1HB LYS 4 -2.690 -18.375 7.828 29 2HB LYS 4 2HB LYS 4 -1.223 -17.431 7.672 30 1HG LYS 4 1HG LYS 4 -2.057 -17.244 10.377 31 2HG LYS 4 2HG LYS 4 -2.136 -18.936 9.928 32 1HD LYS 4 1HD LYS 4 0.200 -18.630 8.960 33 2HD LYS 4 2HD LYS 4 0.239 -17.100 9.813 34 1HE LYS 4 1HE LYS 4 0.259 -18.109 11.895 35 2HE LYS 4 2HE LYS 4 -0.526 -19.564 11.312 36 1HZ LYS 4 1HZ LYS 4 1.486 -20.126 10.151 37 2HZ LYS 4 2HZ LYS 4 2.227 -18.752 10.703 38 3HZ LYS 4 3HZ LYS 4 1.788 -19.940 11.770 39 H CYS 5 H CYS 5 -1.784 -15.845 6.019 40 HA CYS 5 HA CYS 5 0.158 -13.969 6.607 41 1HB CYS 5 1HB CYS 5 -1.373 -14.729 4.266 42 2HB CYS 5 2HB CYS 5 -0.851 -13.056 4.232 43 H GLN 6 H GLN 6 -3.320 -13.337 6.026 44 HA GLN 6 HA GLN 6 -3.242 -10.551 6.294 45 1HB GLN 6 1HB GLN 6 -5.423 -12.343 7.275 46 2HB GLN 6 2HB GLN 6 -5.558 -10.647 6.861 47 1HG GLN 6 1HG GLN 6 -4.656 -11.403 4.548 48 2HG GLN 6 2HG GLN 6 -5.170 -12.997 5.061 49 1HE2 GLN 6 2HE2 GLN 6 -6.711 -12.958 3.271 50 2HE2 GLN 6 1HE2 GLN 6 -8.189 -12.034 3.414 51 H ARG 7 H ARG 7 -3.968 -12.859 8.898 52 HA ARG 7 HA ARG 7 -3.492 -10.944 10.986 53 1HB ARG 7 1HB ARG 7 -4.293 -13.749 10.765 54 2HB ARG 7 2HB ARG 7 -3.362 -13.372 12.201 55 1HG ARG 7 1HG ARG 7 -5.142 -11.255 11.969 56 2HG ARG 7 2HG ARG 7 -6.094 -12.663 11.544 57 1HD ARG 7 1HD ARG 7 -6.366 -12.869 13.785 58 2HD ARG 7 2HD ARG 7 -4.768 -13.584 13.732 59 HE ARG 7 HE ARG 7 -3.951 -11.777 14.899 60 1HH1 ARG 7 1HH2 ARG 7 -6.986 -10.832 13.422 61 2HH1 ARG 7 2HH2 ARG 7 -6.970 -9.253 14.176 62 1HH2 ARG 7 1HH1 ARG 7 -3.989 -9.715 15.822 63 2HH2 ARG 7 2HH1 ARG 7 -5.330 -8.643 15.488 64 H GLU 8 H GLU 8 -1.215 -12.057 8.997 65 HA GLU 8 HA GLU 8 0.833 -12.410 11.099 66 1HB GLU 8 1HB GLU 8 0.294 -13.987 8.781 67 2HB GLU 8 2HB GLU 8 1.891 -13.276 8.653 68 1HG GLU 8 1HG GLU 8 1.977 -14.046 11.212 69 2HG GLU 8 2HG GLU 8 0.844 -15.238 10.607 70 H PHE 9 H PHE 9 -0.189 -10.671 8.318 71 HA PHE 9 HA PHE 9 2.295 -9.251 7.840 72 1HB PHE 9 1HB PHE 9 1.071 -9.317 5.925 73 2HB PHE 9 2HB PHE 9 -0.451 -9.404 6.789 74 HD1 PHE 9 1HD PHE 9 -1.460 -7.226 7.723 75 HD2 PHE 9 2HD PHE 9 1.701 -7.372 4.814 76 HE1 PHE 9 1HE PHE 9 -1.664 -4.763 7.434 77 HE2 PHE 9 2HE PHE 9 1.057 -5.056 4.126 78 HZ PHE 9 HZ PHE 9 -0.354 -3.676 5.619 79 H GLN 10 H GLN 10 -0.855 -8.700 9.460 80 HA GLN 10 HA GLN 10 0.086 -6.030 10.285 81 1HB GLN 10 1HB GLN 10 -2.098 -5.883 9.479 82 2HB GLN 10 2HB GLN 10 -2.588 -7.362 10.280 83 1HG GLN 10 1HG GLN 10 -2.626 -6.324 12.398 84 2HG GLN 10 2HG GLN 10 -1.747 -4.926 11.813 85 1HE2 GLN 10 2HE2 GLN 10 -4.808 -6.359 12.325 86 2HE2 GLN 10 1HE2 GLN 10 -5.770 -5.065 11.650 87 H GLN 11 H GLN 11 0.157 -9.220 11.365 88 HA GLN 11 HA GLN 11 -0.385 -9.006 14.084 89 1HB GLN 11 1HB GLN 11 0.553 -10.953 12.437 90 2HB GLN 11 2HB GLN 11 1.957 -10.625 13.435 91 1HG GLN 11 1HG GLN 11 -0.366 -10.650 15.095 92 2HG GLN 11 2HG GLN 11 -0.362 -12.105 14.119 93 1HE2 GLN 11 2HE2 GLN 11 0.176 -13.616 15.618 94 2HE2 GLN 11 1HE2 GLN 11 1.679 -13.594 16.513 95 H GLU 12 H GLU 12 2.849 -8.840 12.627 96 HA GLU 12 HA GLU 12 3.667 -6.590 14.229 97 1HB GLU 12 1HB GLU 12 4.748 -9.309 14.899 98 2HB GLU 12 2HB GLU 12 5.473 -7.801 15.420 99 1HG GLU 12 1HG GLU 12 3.172 -7.264 16.411 100 2HG GLU 12 2HG GLU 12 2.831 -8.970 16.200 101 H GLN 13 H GLN 13 3.517 -7.272 11.430 102 HA GLN 13 HA GLN 13 6.211 -6.560 10.669 103 1HB GLN 13 1HB GLN 13 5.775 -9.257 10.813 104 2HB GLN 13 2HB GLN 13 5.440 -8.917 9.126 105 1HG GLN 13 1HG GLN 13 7.583 -7.803 8.888 106 2HG GLN 13 2HG GLN 13 7.911 -8.010 10.597 107 1HE2 GLN 13 2HE2 GLN 13 8.683 -9.943 11.365 108 2HE2 GLN 13 1HE2 GLN 13 9.128 -11.269 10.316 109 H HIS 14 H HIS 14 4.190 -4.940 10.476 110 HA HIS 14 HA HIS 14 2.589 -5.222 8.116 111 1HB HIS 14 1HB HIS 14 3.262 -2.568 9.260 112 2HB HIS 14 2HB HIS 14 1.750 -3.134 8.578 113 HD1 HIS 14 1HD HIS 14 1.547 -1.599 11.193 114 HD2 HIS 14 2HD HIS 14 2.163 -5.760 10.927 115 HE1 HIS 14 1HE HIS 14 0.782 -2.598 13.436 116 HE2 HIS 14 2HE HIS 14 1.241 -5.123 13.291 117 H LEU 15 H LEU 15 2.995 -2.646 6.925 118 HA LEU 15 HA LEU 15 5.503 -3.297 5.482 119 1HB LEU 15 1HB LEU 15 2.837 -2.348 4.565 120 2HB LEU 15 2HB LEU 15 4.267 -2.078 3.592 121 HG LEU 15 HG LEU 15 2.736 -4.130 3.166 122 1HD1 LEU 15 1HD1 LEU 15 4.763 -3.735 1.898 123 2HD1 LEU 15 2HD1 LEU 15 5.737 -4.437 3.238 124 3HD1 LEU 15 3HD1 LEU 15 4.594 -5.475 2.317 125 1HD2 LEU 15 1HD2 LEU 15 4.535 -5.267 5.303 126 2HD2 LEU 15 2HD2 LEU 15 2.746 -5.104 5.388 127 3HD2 LEU 15 3HD2 LEU 15 3.492 -6.212 4.185 128 H ARG 16 H ARG 16 6.423 -1.359 4.335 129 HA ARG 16 HA ARG 16 6.170 1.062 6.026 130 1HB ARG 16 1HB ARG 16 8.679 -0.316 5.162 131 2HB ARG 16 2HB ARG 16 8.637 1.339 5.737 132 1HG ARG 16 1HG ARG 16 7.211 -0.347 7.559 133 2HG ARG 16 2HG ARG 16 8.811 -1.004 7.275 134 1HD ARG 16 1HD ARG 16 9.306 1.685 7.543 135 2HD ARG 16 2HD ARG 16 8.022 1.417 8.703 136 HE ARG 16 HE ARG 16 9.722 -0.640 9.217 137 1HH1 ARG 16 1HH2 ARG 16 10.193 2.824 9.040 138 2HH1 ARG 16 2HH2 ARG 16 11.531 2.791 10.166 139 1HH2 ARG 16 1HH1 ARG 16 11.436 -0.630 10.628 140 2HH2 ARG 16 2HH1 ARG 16 12.219 0.877 11.046 141 H ALA 17 H ALA 17 8.523 0.574 3.447 142 HA ALA 17 HA ALA 17 7.985 2.722 1.941 143 1HB ALA 17 1HB ALA 17 9.789 1.200 1.439 144 2HB ALA 17 2HB ALA 17 8.608 -0.043 0.899 145 3HB ALA 17 3HB ALA 17 8.791 1.487 -0.029 146 H CYS 18 H CYS 18 5.826 -0.085 2.058 147 HA CYS 18 HA CYS 18 4.113 0.828 -0.051 148 1HB CYS 18 1HB CYS 18 3.488 -1.031 2.194 149 2HB CYS 18 2HB CYS 18 2.625 -0.874 0.678 150 H GLN 19 H GLN 19 3.615 0.749 3.510 151 HA GLN 19 HA GLN 19 1.585 2.817 3.346 152 1HB GLN 19 1HB GLN 19 2.828 1.114 5.438 153 2HB GLN 19 2HB GLN 19 2.029 2.586 5.953 154 1HG GLN 19 1HG GLN 19 0.513 1.203 3.931 155 2HG GLN 19 2HG GLN 19 0.814 0.179 5.321 156 1HE2 GLN 19 2HE2 GLN 19 0.423 3.713 5.354 157 2HE2 GLN 19 1HE2 GLN 19 -1.030 3.709 6.331 158 H GLN 20 H GLN 20 4.192 3.716 2.302 159 HA GLN 20 HA GLN 20 4.553 6.026 4.093 160 1HB GLN 20 1HB GLN 20 6.812 4.305 3.139 161 2HB GLN 20 2HB GLN 20 6.993 5.880 3.884 162 1HG GLN 20 1HG GLN 20 5.424 4.052 5.479 163 2HG GLN 20 2HG GLN 20 7.039 3.454 5.153 164 1HE2 GLN 20 2HE2 GLN 20 6.800 3.528 7.546 165 2HE2 GLN 20 1HE2 GLN 20 7.448 4.963 8.307 166 H TRP 21 H TRP 21 5.187 4.397 0.990 167 HA TRP 21 HA TRP 21 6.066 6.696 -0.417 168 1HB TRP 21 1HB TRP 21 5.770 5.483 -2.336 169 2HB TRP 21 2HB TRP 21 6.072 4.262 -1.117 170 HD1 TRP 21 HD TRP 21 4.197 2.479 -0.701 171 HE1 TRP 21 1HE TRP 21 2.025 1.857 -1.900 172 HE3 TRP 21 3HE TRP 21 3.815 6.610 -3.583 173 HZ2 TRP 21 2HZ TRP 21 0.274 3.095 -3.831 174 HZ3 TRP 21 3HZ TRP 21 1.784 6.967 -4.972 175 HH2 TRP 21 HH TRP 21 0.114 5.154 -5.191 176 H ILE 22 H ILE 22 2.903 5.525 0.458 177 HA ILE 22 HA ILE 22 1.433 7.516 -1.072 178 HB ILE 22 HB ILE 22 0.384 5.850 1.203 179 1HG1 ILE 22 1HG1 ILE 22 0.271 5.004 -1.649 180 2HG1 ILE 22 2HG1 ILE 22 1.603 4.526 -0.618 181 1HG2 ILE 22 1HG2 ILE 22 -1.085 7.647 0.352 182 2HG2 ILE 22 2HG2 ILE 22 -0.906 6.987 -1.310 183 3HG2 ILE 22 3HG2 ILE 22 -1.749 6.026 -0.047 184 1HD1 ILE 22 1HD1 ILE 22 0.052 3.371 0.888 185 2HD1 ILE 22 2HD1 ILE 22 -1.314 3.862 -0.172 186 3HD1 ILE 22 3HD1 ILE 22 -0.052 2.743 -0.794 187 H ARG 23 H ARG 23 2.838 7.201 2.158 188 HA ARG 23 HA ARG 23 1.518 9.565 3.188 189 1HB ARG 23 1HB ARG 23 3.764 7.833 4.047 190 2HB ARG 23 2HB ARG 23 3.592 9.418 4.771 191 1HG ARG 23 1HG ARG 23 2.370 8.047 6.188 192 2HG ARG 23 2HG ARG 23 1.149 8.754 5.151 193 1HD ARG 23 1HD ARG 23 0.640 6.769 4.179 194 2HD ARG 23 2HD ARG 23 2.296 6.203 4.224 195 HE ARG 23 HE ARG 23 1.804 5.090 6.161 196 1HH1 ARG 23 1HH2 ARG 23 -0.461 7.714 5.901 197 2HH1 ARG 23 2HH2 ARG 23 -1.302 7.258 7.365 198 1HH2 ARG 23 1HH1 ARG 23 0.685 4.563 8.046 199 2HH2 ARG 23 2HH1 ARG 23 -0.679 5.544 8.534 200 H GLN 24 H GLN 24 4.181 9.100 1.046 201 HA GLN 24 HA GLN 24 5.390 11.679 1.560 202 1HB GLN 24 1HB GLN 24 5.853 9.398 -0.254 203 2HB GLN 24 2HB GLN 24 6.415 10.965 -0.801 204 1HG GLN 24 1HG GLN 24 7.051 9.790 1.898 205 2HG GLN 24 2HG GLN 24 8.112 9.677 0.508 206 1HE2 GLN 24 2HE2 GLN 24 9.277 10.789 2.622 207 2HE2 GLN 24 1HE2 GLN 24 9.384 12.527 2.459 208 H GLN 25 H GLN 25 2.463 10.945 0.272 209 HA GLN 25 HA GLN 25 2.567 12.997 -1.826 210 1HB GLN 25 1HB GLN 25 0.507 12.182 -2.567 211 2HB GLN 25 2HB GLN 25 1.441 10.772 -2.111 212 1HG GLN 25 1HG GLN 25 -0.367 10.164 -0.996 213 2HG GLN 25 2HG GLN 25 0.170 11.329 0.197 214 1HE2 GLN 25 2HE2 GLN 25 -2.334 10.720 0.466 215 2HE2 GLN 25 1HE2 GLN 25 -3.405 11.925 -0.213 216 H LEU 26 H LEU 26 2.522 13.282 1.340 217 HA LEU 26 HA LEU 26 0.463 15.404 1.385 218 1HB LEU 26 1HB LEU 26 0.966 14.475 4.010 219 2HB LEU 26 2HB LEU 26 -0.545 14.488 3.123 220 HG LEU 26 HG LEU 26 1.301 12.252 2.641 221 1HD1 LEU 26 1HD1 LEU 26 1.416 12.376 5.058 222 2HD1 LEU 26 2HD1 LEU 26 -0.379 12.422 5.142 223 3HD1 LEU 26 3HD1 LEU 26 0.455 10.952 4.530 224 1HD2 LEU 26 1HD2 LEU 26 -1.694 12.464 2.909 225 2HD2 LEU 26 2HD2 LEU 26 -0.750 12.400 1.380 226 3HD2 LEU 26 3HD2 LEU 26 -0.783 10.975 2.476 227 H ALA 27 H ALA 27 1.126 17.322 2.076 228 HA ALA 27 HA ALA 27 3.762 18.135 2.030 229 1HB ALA 27 1HB ALA 27 1.841 19.672 1.990 230 2HB ALA 27 2HB ALA 27 1.499 19.273 3.709 231 3HB ALA 27 3HB ALA 27 3.013 20.139 3.271 232 H GLY 28 H GLY 28 2.036 16.703 4.747 233 1HA GLY 28 1HA GLY 28 3.949 17.011 6.792 234 2HA GLY 28 2HA GLY 28 2.763 15.729 6.655 235 H SER 29 H SER 29 5.785 16.713 5.032 236 HA SER 29 HA SER 29 7.031 14.176 5.690 237 1HB SER 29 1HB SER 29 7.267 13.305 3.596 238 2HB SER 29 2HB SER 29 5.686 14.049 3.445 239 HG SER 29 HG SER 29 7.071 14.574 1.700 240 HA PRO 30 HA PRO 30 10.487 16.894 5.724 241 1HB PRO 30 1HB PRO 30 12.537 15.044 5.639 242 2HB PRO 30 2HB PRO 30 11.662 15.483 7.092 243 1HG PRO 30 1HG PRO 30 11.487 13.018 5.506 244 2HG PRO 30 2HG PRO 30 10.961 13.307 7.151 245 1HD PRO 30 1HD PRO 30 9.334 13.196 4.818 246 2HD PRO 30 2HD PRO 30 8.826 13.583 6.450 247 H PHE 31 H PHE 31 12.666 17.217 4.552 248 HA PHE 31 HA PHE 31 12.638 16.350 1.745 249 1HB PHE 31 1HB PHE 31 12.636 19.279 2.369 250 2HB PHE 31 2HB PHE 31 12.391 18.493 0.821 251 HD1 PHE 31 1HD PHE 31 10.224 17.273 0.370 252 HD2 PHE 31 2HD PHE 31 10.827 19.805 3.821 253 HE1 PHE 31 1HE PHE 31 7.762 17.340 0.751 254 HE2 PHE 31 2HE PHE 31 8.357 19.951 4.140 255 HZ PHE 31 HZ PHE 31 6.837 18.724 2.600 256 H SER 32 H SER 32 14.562 17.215 0.594 257 HA SER 32 HA SER 32 16.657 18.672 1.695 258 1HB SER 32 1HB SER 32 16.515 16.128 2.955 259 2HB SER 32 2HB SER 32 17.894 16.095 1.873 260 HG SER 32 HG SER 32 18.421 16.964 3.939 261 H GLU 33 H GLU 33 18.157 19.035 0.119 262 HA GLU 33 HA GLU 33 17.726 17.887 -2.482 263 1HB GLU 33 1HB GLU 33 19.764 19.784 -1.377 264 2HB GLU 33 2HB GLU 33 19.798 19.240 -3.042 265 1HG GLU 33 1HG GLU 33 17.318 20.004 -3.089 266 2HG GLU 33 2HG GLU 33 17.743 20.922 -1.659 267 H ASN 34 H ASN 34 17.994 15.634 -1.606 268 HA ASN 34 HA ASN 34 20.541 14.590 -2.481 269 1HB ASN 34 1HB ASN 34 20.831 15.326 -0.022 270 2HB ASN 34 2HB ASN 34 19.787 13.971 0.357 271 1HD2 ASN 34 2HD2 ASN 34 21.876 13.470 1.575 272 2HD2 ASN 34 1HD2 ASN 34 23.044 12.490 0.718 273 H GLN 35 H GLN 35 17.538 14.007 -0.683 274 HA GLN 35 HA GLN 35 16.933 11.744 -2.447 275 1HB GLN 35 1HB GLN 35 16.344 10.321 -0.492 276 2HB GLN 35 2HB GLN 35 18.059 10.630 -0.666 277 1HG GLN 35 1HG GLN 35 16.607 12.538 1.038 278 2HG GLN 35 2HG GLN 35 16.691 10.900 1.656 279 1HE2 GLN 35 2HE2 GLN 35 17.864 12.904 3.109 280 2HE2 GLN 35 1HE2 GLN 35 19.605 12.758 3.008 281 H TRP 36 H TRP 36 14.661 10.797 -1.578 282 HA TRP 36 HA TRP 36 12.852 13.086 -1.512 283 1HB TRP 36 1HB TRP 36 12.661 10.952 -2.908 284 2HB TRP 36 2HB TRP 36 12.017 10.236 -1.444 285 HD1 TRP 36 HD TRP 36 9.518 10.763 -0.845 286 HE1 TRP 36 1HE TRP 36 7.651 12.140 -1.963 287 HE3 TRP 36 3HE TRP 36 12.306 13.173 -4.389 288 HZ2 TRP 36 2HZ TRP 36 7.405 14.055 -4.112 289 HZ3 TRP 36 3HZ TRP 36 11.238 14.749 -5.980 290 HH2 TRP 36 HH TRP 36 8.796 15.196 -5.846 291 H GLY 37 H GLY 37 14.584 12.306 0.873 292 1HA GLY 37 1HA GLY 37 13.976 12.943 3.133 293 2HA GLY 37 2HA GLY 37 12.430 12.147 2.912 294 HA PRO 38 HA PRO 38 14.170 8.464 4.534 295 1HB PRO 38 1HB PRO 38 12.975 6.477 3.013 296 2HB PRO 38 2HB PRO 38 12.217 7.284 4.371 297 1HG PRO 38 1HG PRO 38 11.656 7.581 1.511 298 2HG PRO 38 2HG PRO 38 10.685 8.090 2.879 299 1HD PRO 38 1HD PRO 38 12.367 9.700 1.239 300 2HD PRO 38 2HD PRO 38 11.427 10.202 2.631 301 H GLN 39 H GLN 39 16.361 9.105 3.725 302 HA GLN 39 HA GLN 39 17.390 8.434 1.215 303 1HB GLN 39 1HB GLN 39 19.524 8.609 2.205 304 2HB GLN 39 2HB GLN 39 18.487 9.696 3.105 305 1HG GLN 39 1HG GLN 39 19.621 8.635 4.813 306 2HG GLN 39 2HG GLN 39 18.176 7.651 4.694 307 1HE2 GLN 39 2HE2 GLN 39 19.353 5.930 5.748 308 2HE2 GLN 39 1HE2 GLN 39 20.453 4.937 4.817 309 H GLN 40 H GLN 40 16.727 6.347 3.954 310 HA GLN 40 HA GLN 40 18.113 4.044 2.930 311 1HB GLN 40 1HB GLN 40 17.704 4.276 5.310 312 2HB GLN 40 2HB GLN 40 15.975 4.298 5.030 313 1HG GLN 40 1HG GLN 40 15.985 2.066 5.268 314 2HG GLN 40 2HG GLN 40 16.885 1.968 3.767 315 1HE2 GLN 40 2HE2 GLN 40 17.086 2.036 7.255 316 2HE2 GLN 40 1HE2 GLN 40 18.717 1.416 7.374 317 H GLY 41 H GLY 41 14.696 5.160 2.928 318 1HA GLY 41 1HA GLY 41 14.251 3.249 0.688 319 2HA GLY 41 2HA GLY 41 13.022 3.613 1.881 320 HA PRO 42 HA PRO 42 13.250 7.619 -0.598 321 1HB PRO 42 1HB PRO 42 15.011 7.818 -2.740 322 2HB PRO 42 2HB PRO 42 15.328 8.433 -1.131 323 1HG PRO 42 1HG PRO 42 16.478 6.092 -2.460 324 2HG PRO 42 2HG PRO 42 17.039 6.926 -1.024 325 1HD PRO 42 1HD PRO 42 15.623 4.463 -1.137 326 2HD PRO 42 2HD PRO 42 16.084 5.355 0.299 327 H SER 43 H SER 43 14.019 4.777 -2.532 328 HA SER 43 HA SER 43 11.916 5.493 -4.474 329 1HB SER 43 1HB SER 43 13.942 3.259 -4.505 330 2HB SER 43 2HB SER 43 12.824 3.643 -5.798 331 HG SER 43 HG SER 43 14.897 4.578 -6.128 332 H LEU 44 H LEU 44 10.618 5.115 -2.219 333 HA LEU 44 HA LEU 44 10.124 2.560 -1.256 334 1HB LEU 44 1HB LEU 44 8.111 4.715 -1.735 335 2HB LEU 44 2HB LEU 44 7.962 3.374 -0.616 336 HG LEU 44 HG LEU 44 10.185 4.488 0.340 337 1HD1 LEU 44 1HD1 LEU 44 10.222 6.278 -1.349 338 2HD1 LEU 44 2HD1 LEU 44 8.574 6.785 -0.838 339 3HD1 LEU 44 3HD1 LEU 44 9.959 6.957 0.295 340 1HD2 LEU 44 1HD2 LEU 44 7.386 5.476 0.961 341 2HD2 LEU 44 2HD2 LEU 44 8.166 4.016 1.664 342 3HD2 LEU 44 3HD2 LEU 44 8.826 5.649 2.024 343 H ARG 45 H ARG 45 8.322 4.205 -3.991 344 HA ARG 45 HA ARG 45 6.791 1.993 -4.691 345 1HB ARG 45 1HB ARG 45 7.392 4.404 -5.792 346 2HB ARG 45 2HB ARG 45 8.055 3.289 -6.970 347 1HG ARG 45 1HG ARG 45 5.727 3.883 -7.467 348 2HG ARG 45 2HG ARG 45 5.917 2.169 -7.154 349 1HD ARG 45 1HD ARG 45 4.774 2.266 -5.154 350 2HD ARG 45 2HD ARG 45 5.249 3.924 -4.844 351 HE ARG 45 HE ARG 45 2.832 3.073 -6.043 352 1HH1 ARG 45 1HH2 ARG 45 5.238 5.621 -6.305 353 2HH1 ARG 45 2HH2 ARG 45 4.132 6.697 -7.129 354 1HH2 ARG 45 1HH1 ARG 45 1.508 4.482 -7.169 355 2HH2 ARG 45 2HH1 ARG 45 2.093 6.073 -7.600 356 H GLU 46 H GLU 46 10.234 2.290 -5.216 357 HA GLU 46 HA GLU 46 10.373 -0.243 -6.680 358 1HB GLU 46 1HB GLU 46 11.788 2.080 -6.758 359 2HB GLU 46 2HB GLU 46 12.834 1.064 -5.785 360 1HG GLU 46 1HG GLU 46 11.642 -0.084 -8.253 361 2HG GLU 46 2HG GLU 46 12.978 1.037 -8.418 362 H GLN 47 H GLN 47 10.899 0.944 -3.417 363 HA GLN 47 HA GLN 47 12.311 -1.434 -2.539 364 1HB GLN 47 1HB GLN 47 11.828 1.221 -1.527 365 2HB GLN 47 2HB GLN 47 11.474 0.007 -0.312 366 1HG GLN 47 1HG GLN 47 13.750 -1.028 -1.235 367 2HG GLN 47 2HG GLN 47 14.053 0.647 -1.649 368 1HE2 GLN 47 2HE2 GLN 47 12.440 -0.941 1.173 369 2HE2 GLN 47 1HE2 GLN 47 13.413 -0.096 2.357 370 H CYS 48 H CYS 48 9.140 0.079 -1.825 371 HA CYS 48 HA CYS 48 7.957 -1.983 -0.399 372 1HB CYS 48 1HB CYS 48 6.750 0.009 -0.515 373 2HB CYS 48 2HB CYS 48 6.807 0.033 -2.266 374 H CYS 49 H CYS 49 8.063 -1.536 -3.984 375 HA CYS 49 HA CYS 49 6.711 -3.957 -4.526 376 1HB CYS 49 1HB CYS 49 8.780 -2.450 -6.061 377 2HB CYS 49 2HB CYS 49 8.008 -3.894 -6.683 378 H ASN 50 H ASN 50 9.840 -3.537 -3.189 379 HA ASN 50 HA ASN 50 10.537 -6.373 -3.544 380 1HB ASN 50 1HB ASN 50 11.985 -3.930 -3.490 381 2HB ASN 50 2HB ASN 50 12.514 -4.906 -2.135 382 1HD2 ASN 50 2HD2 ASN 50 11.369 -5.722 -5.414 383 2HD2 ASN 50 1HD2 ASN 50 12.769 -6.679 -5.842 384 H GLU 51 H GLU 51 9.240 -4.217 -1.226 385 HA GLU 51 HA GLU 51 10.033 -5.876 1.063 386 1HB GLU 51 1HB GLU 51 9.907 -4.024 2.313 387 2HB GLU 51 2HB GLU 51 9.917 -3.170 0.783 388 1HG GLU 51 1HG GLU 51 7.441 -3.243 0.791 389 2HG GLU 51 2HG GLU 51 7.508 -3.953 2.392 390 H LEU 52 H LEU 52 7.471 -5.415 -1.114 391 HA LEU 52 HA LEU 52 5.447 -6.500 0.707 392 1HB LEU 52 1HB LEU 52 3.929 -5.446 -0.546 393 2HB LEU 52 2HB LEU 52 5.312 -4.511 -1.078 394 HG LEU 52 HG LEU 52 4.097 -4.974 -2.998 395 1HD1 LEU 52 1HD1 LEU 52 6.461 -5.467 -3.448 396 2HD1 LEU 52 2HD1 LEU 52 6.177 -7.175 -2.971 397 3HD1 LEU 52 3HD1 LEU 52 5.361 -6.499 -4.425 398 1HD2 LEU 52 1HD2 LEU 52 3.882 -7.809 -1.981 399 2HD2 LEU 52 2HD2 LEU 52 2.585 -6.563 -1.993 400 3HD2 LEU 52 3HD2 LEU 52 3.223 -7.215 -3.544 401 H TYR 53 H TYR 53 7.727 -7.431 -1.625 402 HA TYR 53 HA TYR 53 6.330 -9.904 -2.399 403 1HB TYR 53 1HB TYR 53 7.867 -8.050 -3.792 404 2HB TYR 53 2HB TYR 53 8.910 -9.446 -3.608 405 HD1 TYR 53 1HD TYR 53 7.461 -11.782 -3.995 406 HD2 TYR 53 2HD TYR 53 6.774 -7.928 -5.813 407 HE1 TYR 53 1HE TYR 53 6.497 -12.895 -6.005 408 HE2 TYR 53 2HE TYR 53 5.746 -9.046 -7.786 409 HH TYR 53 HH TYR 53 4.989 -11.004 -8.627 410 H GLN 54 H GLN 54 7.883 -9.045 0.182 411 HA GLN 54 HA GLN 54 9.900 -11.174 0.253 412 1HB GLN 54 1HB GLN 54 10.636 -10.154 2.292 413 2HB GLN 54 2HB GLN 54 10.437 -8.907 1.076 414 1HG GLN 54 1HG GLN 54 8.227 -8.365 2.035 415 2HG GLN 54 2HG GLN 54 8.498 -9.564 3.284 416 1HE2 GLN 54 2HE2 GLN 54 9.041 -8.693 5.165 417 2HE2 GLN 54 1HE2 GLN 54 10.074 -7.297 5.378 418 H GLU 55 H GLU 55 6.794 -10.260 1.639 419 HA GLU 55 HA GLU 55 6.795 -12.513 3.465 420 1HB GLU 55 1HB GLU 55 4.708 -10.485 2.782 421 2HB GLU 55 2HB GLU 55 4.537 -11.713 4.021 422 1HG GLU 55 1HG GLU 55 6.896 -10.539 4.715 423 2HG GLU 55 2HG GLU 55 5.984 -9.182 4.086 424 H ASP 56 H ASP 56 6.804 -12.710 0.385 425 HA ASP 56 HA ASP 56 6.198 -14.367 -1.074 426 1HB ASP 56 1HB ASP 56 5.669 -15.645 1.159 427 2HB ASP 56 2HB ASP 56 4.007 -15.331 0.704 428 H GLN 57 H GLN 57 3.806 -15.208 -2.009 429 HA GLN 57 HA GLN 57 2.441 -12.756 -2.790 430 1HB GLN 57 1HB GLN 57 2.544 -15.571 -3.645 431 2HB GLN 57 2HB GLN 57 1.057 -14.705 -3.980 432 1HG GLN 57 1HG GLN 57 2.972 -14.662 -5.730 433 2HG GLN 57 2HG GLN 57 2.101 -13.183 -5.374 434 1HE2 GLN 57 2HE2 GLN 57 3.253 -11.409 -4.617 435 2HE2 GLN 57 1HE2 GLN 57 4.946 -11.478 -4.181 436 H VAL 58 H VAL 58 1.974 -15.308 -0.567 437 HA VAL 58 HA VAL 58 -0.853 -14.994 -0.248 438 HB VAL 58 HB VAL 58 0.710 -16.111 1.975 439 1HG1 VAL 58 1HG1 VAL 58 -1.724 -16.260 1.920 440 2HG1 VAL 58 2HG1 VAL 58 -1.627 -17.111 0.339 441 3HG1 VAL 58 3HG1 VAL 58 -0.970 -17.889 1.820 442 1HG2 VAL 58 1HG2 VAL 58 0.592 -17.494 -0.716 443 2HG2 VAL 58 2HG2 VAL 58 2.076 -16.871 0.085 444 3HG2 VAL 58 3HG2 VAL 58 1.158 -18.227 0.826 445 H CYS 59 H CYS 59 1.798 -13.122 0.674 446 HA CYS 59 HA CYS 59 0.173 -11.629 2.645 447 1HB CYS 59 1HB CYS 59 3.085 -12.074 2.385 448 2HB CYS 59 2HB CYS 59 2.397 -10.812 3.388 449 H VAL 60 H VAL 60 0.350 -11.527 -0.372 450 HA VAL 60 HA VAL 60 1.236 -8.737 -0.736 451 HB VAL 60 HB VAL 60 0.570 -11.015 -2.484 452 1HG1 VAL 60 1HG1 VAL 60 -0.915 -9.309 -3.382 453 2HG1 VAL 60 2HG1 VAL 60 0.459 -8.152 -3.451 454 3HG1 VAL 60 3HG1 VAL 60 0.463 -9.613 -4.497 455 1HG2 VAL 60 1HG2 VAL 60 2.768 -8.952 -2.397 456 2HG2 VAL 60 2HG2 VAL 60 2.840 -10.638 -1.777 457 3HG2 VAL 60 3HG2 VAL 60 2.688 -10.336 -3.542 458 H CYS 61 H CYS 61 -1.608 -10.576 -0.162 459 HA CYS 61 HA CYS 61 -3.085 -8.229 0.292 460 1HB CYS 61 1HB CYS 61 -3.098 -9.107 -2.420 461 2HB CYS 61 2HB CYS 61 -4.705 -9.273 -1.741 462 HA PRO 62 HA PRO 62 -5.435 -7.905 0.044 463 1HB PRO 62 1HB PRO 62 -7.326 -7.500 1.940 464 2HB PRO 62 2HB PRO 62 -7.651 -8.257 0.394 465 1HG PRO 62 1HG PRO 62 -7.446 -9.486 3.055 466 2HG PRO 62 2HG PRO 62 -8.226 -10.101 1.613 467 1HD PRO 62 1HD PRO 62 -5.652 -10.822 2.637 468 2HD PRO 62 2HD PRO 62 -6.410 -11.395 1.164 469 H THR 63 H THR 63 -3.706 -9.129 2.569 470 HA THR 63 HA THR 63 -3.234 -7.315 4.476 471 HB THR 63 HB THR 63 -0.747 -7.750 3.914 472 HG1 THR 63 1HG THR 63 -0.544 -9.498 2.443 473 1HG2 THR 63 1HG2 THR 63 -2.070 -9.007 5.580 474 2HG2 THR 63 2HG2 THR 63 -2.705 -10.044 4.255 475 3HG2 THR 63 3HG2 THR 63 -0.955 -10.080 4.668 476 H LEU 64 H LEU 64 -1.856 -6.793 1.159 477 HA LEU 64 HA LEU 64 -0.851 -4.204 1.690 478 1HB LEU 64 1HB LEU 64 -1.285 -5.905 -0.538 479 2HB LEU 64 2HB LEU 64 -1.807 -4.283 -0.946 480 HG LEU 64 HG LEU 64 0.744 -4.352 0.449 481 1HD1 LEU 64 1HD1 LEU 64 0.934 -6.467 -0.745 482 2HD1 LEU 64 2HD1 LEU 64 0.476 -5.635 -2.271 483 3HD1 LEU 64 3HD1 LEU 64 2.022 -5.221 -1.451 484 1HD2 LEU 64 1HD2 LEU 64 -0.136 -3.199 -2.225 485 2HD2 LEU 64 2HD2 LEU 64 -0.157 -2.331 -0.652 486 3HD2 LEU 64 3HD2 LEU 64 1.410 -2.831 -1.382 487 H LYS 65 H LYS 65 -4.088 -5.160 0.496 488 HA LYS 65 HA LYS 65 -5.222 -2.580 0.430 489 1HB LYS 65 1HB LYS 65 -6.524 -4.122 -0.622 490 2HB LYS 65 2HB LYS 65 -6.260 -5.346 0.603 491 1HG LYS 65 1HG LYS 65 -7.890 -2.915 1.189 492 2HG LYS 65 2HG LYS 65 -8.598 -4.302 0.387 493 1HD LYS 65 1HD LYS 65 -7.310 -5.443 2.521 494 2HD LYS 65 2HD LYS 65 -7.882 -3.928 3.189 495 1HE LYS 65 1HE LYS 65 -9.858 -5.392 1.600 496 2HE LYS 65 2HE LYS 65 -9.353 -6.194 3.074 497 1HZ LYS 65 1HZ LYS 65 -9.863 -4.201 4.279 498 2HZ LYS 65 2HZ LYS 65 -10.341 -3.443 2.886 499 3HZ LYS 65 3HZ LYS 65 -11.199 -4.739 3.460 500 H GLN 66 H GLN 66 -4.457 -4.610 3.200 501 HA GLN 66 HA GLN 66 -6.029 -3.130 5.102 502 1HB GLN 66 1HB GLN 66 -4.493 -5.471 5.143 503 2HB GLN 66 2HB GLN 66 -3.716 -4.382 6.275 504 1HG GLN 66 1HG GLN 66 -5.301 -5.274 7.673 505 2HG GLN 66 2HG GLN 66 -6.236 -3.951 7.007 506 1HE2 GLN 66 2HE2 GLN 66 -6.578 -5.151 4.357 507 2HE2 GLN 66 1HE2 GLN 66 -7.714 -6.464 4.565 508 H ALA 67 H ALA 67 -2.758 -2.868 3.872 509 HA ALA 67 HA ALA 67 -2.072 -0.689 5.650 510 1HB ALA 67 1HB ALA 67 -0.411 -2.343 5.001 511 2HB ALA 67 2HB ALA 67 -0.683 -1.945 3.269 512 3HB ALA 67 3HB ALA 67 0.047 -0.723 4.368 513 H ALA 68 H ALA 68 -4.397 -0.543 3.627 514 HA ALA 68 HA ALA 68 -3.541 2.007 2.375 515 1HB ALA 68 1HB ALA 68 -3.809 0.258 0.683 516 2HB ALA 68 2HB ALA 68 -5.463 -0.080 1.304 517 3HB ALA 68 3HB ALA 68 -5.100 1.499 0.528 518 H LYS 69 H LYS 69 -6.025 0.149 4.041 519 HA LYS 69 HA LYS 69 -8.191 1.814 4.032 520 1HB LYS 69 1HB LYS 69 -7.788 -0.444 5.221 521 2HB LYS 69 2HB LYS 69 -7.350 0.547 6.597 522 1HG LYS 69 1HG LYS 69 -9.724 -0.030 6.693 523 2HG LYS 69 2HG LYS 69 -9.525 1.695 6.456 524 1HD LYS 69 1HD LYS 69 -10.511 1.649 4.424 525 2HD LYS 69 2HD LYS 69 -9.704 0.164 3.964 526 1HE LYS 69 1HE LYS 69 -11.314 -1.099 5.349 527 2HE LYS 69 2HE LYS 69 -12.150 0.400 5.701 528 1HZ LYS 69 1HZ LYS 69 -12.570 0.658 3.360 529 2HZ LYS 69 2HZ LYS 69 -11.779 -0.758 3.029 530 3HZ LYS 69 3HZ LYS 69 -13.186 -0.780 3.902 531 H SER 70 H SER 70 -5.806 1.926 6.649 532 HA SER 70 HA SER 70 -6.323 4.807 6.967 533 1HB SER 70 1HB SER 70 -6.697 3.611 8.968 534 2HB SER 70 2HB SER 70 -5.173 2.761 8.820 535 HG SER 70 HG SER 70 -5.078 4.476 10.322 536 H VAL 71 H VAL 71 -5.133 5.141 4.952 537 HA VAL 71 HA VAL 71 -2.212 5.229 5.514 538 HB VAL 71 HB VAL 71 -3.400 3.975 3.447 539 1HG1 VAL 71 1HG1 VAL 71 -4.188 6.050 2.440 540 2HG1 VAL 71 2HG1 VAL 71 -2.500 6.672 2.428 541 3HG1 VAL 71 3HG1 VAL 71 -2.943 5.257 1.414 542 1HG2 VAL 71 1HG2 VAL 71 -0.678 5.292 3.381 543 2HG2 VAL 71 2HG2 VAL 71 -1.060 3.692 4.105 544 3HG2 VAL 71 3HG2 VAL 71 -1.222 3.937 2.332 545 H ARG 72 H ARG 72 -4.980 7.059 5.199 546 HA ARG 72 HA ARG 72 -3.420 9.549 5.115 547 1HB ARG 72 1HB ARG 72 -5.101 8.613 3.032 548 2HB ARG 72 2HB ARG 72 -5.835 10.036 3.743 549 1HG ARG 72 1HG ARG 72 -2.981 10.364 3.370 550 2HG ARG 72 2HG ARG 72 -3.801 10.006 1.865 551 1HD ARG 72 1HD ARG 72 -5.271 11.934 3.450 552 2HD ARG 72 2HD ARG 72 -3.644 12.486 3.109 553 HE ARG 72 HE ARG 72 -4.960 11.440 0.764 554 1HH1 ARG 72 1HH2 ARG 72 -4.766 14.304 2.777 555 2HH1 ARG 72 2HH2 ARG 72 -5.170 15.373 1.452 556 1HH2 ARG 72 1HH1 ARG 72 -5.421 12.841 -0.887 557 2HH2 ARG 72 2HH1 ARG 72 -5.534 14.560 -0.581 558 H VAL 73 H VAL 73 -4.846 7.865 7.148 559 HA VAL 73 HA VAL 73 -6.429 10.058 8.303 560 HB VAL 73 HB VAL 73 -7.929 8.425 7.272 561 1HG1 VAL 73 1HG1 VAL 73 -6.664 6.359 7.541 562 2HG1 VAL 73 2HG1 VAL 73 -6.861 6.479 9.325 563 3HG1 VAL 73 3HG1 VAL 73 -8.300 6.224 8.278 564 1HG2 VAL 73 1HG2 VAL 73 -8.048 8.568 10.292 565 2HG2 VAL 73 2HG2 VAL 73 -8.699 9.779 9.133 566 3HG2 VAL 73 3HG2 VAL 73 -9.421 8.136 9.214 567 H GLN 74 H GLN 74 -5.930 10.543 10.303 568 HA GLN 74 HA GLN 74 -4.386 8.565 11.857 569 1HB GLN 74 1HB GLN 74 -3.514 11.138 10.922 570 2HB GLN 74 2HB GLN 74 -3.435 11.044 12.671 571 1HG GLN 74 1HG GLN 74 -2.413 8.617 11.919 572 2HG GLN 74 2HG GLN 74 -1.826 9.670 10.648 573 1HE2 GLN 74 2HE2 GLN 74 -0.317 8.263 12.740 574 2HE2 GLN 74 1HE2 GLN 74 0.536 9.505 13.629 575 H GLY 75 H GLY 75 -7.235 9.122 11.851 576 1HA GLY 75 1HA GLY 75 -8.796 9.138 13.599 577 2HA GLY 75 2HA GLY 75 -7.544 9.652 14.712 578 H GLN 76 H GLN 76 -8.344 11.195 11.640 579 HA GLN 76 HA GLN 76 -9.976 13.269 12.795 580 1HB GLN 76 1HB GLN 76 -7.428 13.714 13.374 581 2HB GLN 76 2HB GLN 76 -7.419 14.358 11.744 582 1HG GLN 76 1HG GLN 76 -9.693 15.469 12.680 583 2HG GLN 76 2HG GLN 76 -8.773 15.364 14.168 584 1HE2 GLN 76 2HE2 GLN 76 -9.557 17.814 13.156 585 2HE2 GLN 76 1HE2 GLN 76 -8.153 18.679 12.573 586 H HIS 77 H HIS 77 -9.913 11.318 10.533 587 HA HIS 77 HA HIS 77 -10.347 13.256 8.337 588 1HB HIS 77 1HB HIS 77 -8.342 11.639 8.212 589 2HB HIS 77 2HB HIS 77 -9.553 10.439 7.807 590 HD1 HIS 77 1HD HIS 77 -8.301 13.826 6.545 591 HD2 HIS 77 2HD HIS 77 -10.311 10.335 5.290 592 HE1 HIS 77 1HE HIS 77 -8.586 14.022 3.994 593 HE2 HIS 77 2HE HIS 77 -9.825 11.898 3.243 594 H GLY 78 H GLY 78 -11.267 10.628 6.951 595 1HA GLY 78 1HA GLY 78 -13.568 9.630 8.138 596 2HA GLY 78 2HA GLY 78 -14.051 11.052 7.235 597 HA PRO 79 HA PRO 79 -13.915 7.402 4.404 598 1HB PRO 79 1HB PRO 79 -16.558 7.547 3.620 599 2HB PRO 79 2HB PRO 79 -15.946 6.492 4.877 600 1HG PRO 79 1HG PRO 79 -17.541 8.942 5.139 601 2HG PRO 79 2HG PRO 79 -17.274 7.671 6.316 602 1HD PRO 79 1HD PRO 79 -16.036 10.233 6.244 603 2HD PRO 79 2HD PRO 79 -15.684 8.920 7.349 604 H PHE 80 H PHE 80 -12.712 8.327 2.820 605 HA PHE 80 HA PHE 80 -13.927 9.539 0.557 606 1HB PHE 80 1HB PHE 80 -13.769 11.352 2.589 607 2HB PHE 80 2HB PHE 80 -12.226 11.600 1.798 608 HD1 PHE 80 1HD PHE 80 -12.038 12.655 -0.322 609 HD2 PHE 80 2HD PHE 80 -15.903 11.685 1.349 610 HE1 PHE 80 1HE PHE 80 -13.142 14.107 -2.025 611 HE2 PHE 80 2HE PHE 80 -17.004 13.131 -0.360 612 HZ PHE 80 HZ PHE 80 -15.618 14.334 -2.040 613 H GLN 81 H GLN 81 -10.990 9.875 2.535 614 HA GLN 81 HA GLN 81 -9.128 10.016 0.462 615 1HB GLN 81 1HB GLN 81 -7.467 9.191 2.075 616 2HB GLN 81 2HB GLN 81 -8.430 10.528 2.667 617 1HG GLN 81 1HG GLN 81 -8.582 9.233 4.510 618 2HG GLN 81 2HG GLN 81 -9.894 8.497 3.611 619 1HE2 GLN 81 2HE2 GLN 81 -9.902 6.444 4.238 620 2HE2 GLN 81 1HE2 GLN 81 -8.519 5.375 4.162 621 H SER 82 H SER 82 -10.249 7.128 2.218 622 HA SER 82 HA SER 82 -8.674 5.157 1.152 623 1HB SER 82 1HB SER 82 -11.417 5.186 2.212 624 2HB SER 82 2HB SER 82 -11.008 3.825 1.185 625 HG SER 82 HG SER 82 -10.551 3.426 3.391 626 H THR 83 H THR 83 -11.830 6.255 -0.161 627 HA THR 83 HA THR 83 -11.998 4.854 -2.465 628 HB THR 83 HB THR 83 -12.796 7.500 -1.632 629 HG1 THR 83 1HG THR 83 -14.693 6.654 -2.589 630 1HG2 THR 83 1HG2 THR 83 -11.793 8.267 -3.764 631 2HG2 THR 83 2HG2 THR 83 -12.732 6.998 -4.626 632 3HG2 THR 83 3HG2 THR 83 -13.590 8.339 -3.789 633 H ARG 84 H ARG 84 -10.269 8.000 -2.552 634 HA ARG 84 HA ARG 84 -9.090 7.352 -5.084 635 1HB ARG 84 1HB ARG 84 -9.582 9.665 -4.098 636 2HB ARG 84 2HB ARG 84 -8.066 9.467 -3.244 637 1HG ARG 84 1HG ARG 84 -6.812 9.414 -5.219 638 2HG ARG 84 2HG ARG 84 -8.191 8.947 -6.195 639 1HD ARG 84 1HD ARG 84 -8.757 11.088 -6.578 640 2HD ARG 84 2HD ARG 84 -8.616 11.501 -4.882 641 HE ARG 84 HE ARG 84 -6.589 11.827 -6.960 642 1HH1 ARG 84 1HH2 ARG 84 -7.235 11.797 -3.528 643 2HH1 ARG 84 2HH2 ARG 84 -5.767 12.668 -3.145 644 1HH2 ARG 84 1HH1 ARG 84 -4.702 12.928 -6.410 645 2HH2 ARG 84 2HH1 ARG 84 -4.373 13.291 -4.730 646 H ILE 85 H ILE 85 -7.843 7.528 -1.791 647 HA ILE 85 HA ILE 85 -5.210 6.955 -2.019 648 HB ILE 85 HB ILE 85 -7.277 6.226 -0.046 649 1HG1 ILE 85 1HG1 ILE 85 -6.284 8.461 -0.197 650 2HG1 ILE 85 2HG1 ILE 85 -6.033 7.702 1.362 651 1HG2 ILE 85 1HG2 ILE 85 -5.937 4.197 -0.058 652 2HG2 ILE 85 2HG2 ILE 85 -4.442 5.182 0.122 653 3HG2 ILE 85 3HG2 ILE 85 -5.656 5.138 1.450 654 1HD1 ILE 85 1HD1 ILE 85 -3.723 7.112 0.728 655 2HD1 ILE 85 2HD1 ILE 85 -3.980 7.892 -0.871 656 3HD1 ILE 85 3HD1 ILE 85 -4.006 8.885 0.627 657 H TYR 86 H TYR 86 -7.707 4.483 -1.774 658 HA TYR 86 HA TYR 86 -6.236 2.201 -2.363 659 1HB TYR 86 1HB TYR 86 -9.069 3.014 -2.535 660 2HB TYR 86 2HB TYR 86 -8.591 1.607 -3.466 661 HD1 TYR 86 1HD TYR 86 -9.043 -0.407 -2.490 662 HD2 TYR 86 2HD TYR 86 -7.924 2.959 -0.031 663 HE1 TYR 86 1HE TYR 86 -9.246 -1.837 -0.451 664 HE2 TYR 86 2HE TYR 86 -8.133 1.542 2.000 665 HH TYR 86 HH TYR 86 -8.627 -0.395 2.801 666 H GLN 87 H GLN 87 -7.946 4.458 -4.602 667 HA GLN 87 HA GLN 87 -7.309 3.144 -6.986 668 1HB GLN 87 1HB GLN 87 -8.257 5.733 -6.191 669 2HB GLN 87 2HB GLN 87 -7.140 5.873 -7.533 670 1HG GLN 87 1HG GLN 87 -8.556 4.868 -8.983 671 2HG GLN 87 2HG GLN 87 -9.152 3.743 -7.780 672 1HE2 GLN 87 2HE2 GLN 87 -9.635 6.777 -9.354 673 2HE2 GLN 87 1HE2 GLN 87 -11.088 7.257 -8.503 674 H ILE 88 H ILE 88 -5.220 5.147 -4.969 675 HA ILE 88 HA ILE 88 -3.151 5.310 -7.006 676 HB ILE 88 HB ILE 88 -2.739 5.918 -4.117 677 1HG1 ILE 88 1HG1 ILE 88 -4.270 7.559 -6.093 678 2HG1 ILE 88 2HG1 ILE 88 -4.758 7.064 -4.485 679 1HG2 ILE 88 1HG2 ILE 88 -0.797 6.001 -5.601 680 2HG2 ILE 88 2HG2 ILE 88 -1.678 7.126 -6.691 681 3HG2 ILE 88 3HG2 ILE 88 -1.230 7.651 -5.031 682 1HD1 ILE 88 1HD1 ILE 88 -3.086 8.562 -3.492 683 2HD1 ILE 88 2HD1 ILE 88 -2.584 9.071 -5.141 684 3HD1 ILE 88 3HD1 ILE 88 -4.237 9.453 -4.547 685 H ALA 89 H ALA 89 -3.548 3.646 -3.865 686 HA ALA 89 HA ALA 89 -1.295 1.914 -4.283 687 1HB ALA 89 1HB ALA 89 -2.013 2.545 -2.058 688 2HB ALA 89 2HB ALA 89 -3.616 1.783 -2.348 689 3HB ALA 89 3HB ALA 89 -2.138 0.763 -2.267 690 H LYS 90 H LYS 90 -4.073 1.981 -5.966 691 HA LYS 90 HA LYS 90 -4.597 -0.884 -6.135 692 1HB LYS 90 1HB LYS 90 -6.582 0.230 -6.369 693 2HB LYS 90 2HB LYS 90 -5.839 1.602 -7.168 694 1HG LYS 90 1HG LYS 90 -5.986 -0.998 -8.581 695 2HG LYS 90 2HG LYS 90 -7.412 0.015 -8.481 696 1HD LYS 90 1HD LYS 90 -4.919 1.397 -9.250 697 2HD LYS 90 2HD LYS 90 -5.544 0.256 -10.425 698 1HE LYS 90 1HE LYS 90 -7.180 1.652 -11.012 699 2HE LYS 90 2HE LYS 90 -7.665 1.871 -9.342 700 1HZ LYS 90 1HZ LYS 90 -5.945 3.501 -9.106 701 2HZ LYS 90 2HZ LYS 90 -5.487 3.295 -10.684 702 3HZ LYS 90 3HZ LYS 90 -6.978 3.924 -10.330 703 H ASN 91 H ASN 91 -2.914 1.679 -7.831 704 HA ASN 91 HA ASN 91 -2.263 -0.056 -10.074 705 1HB ASN 91 1HB ASN 91 -1.868 2.773 -9.369 706 2HB ASN 91 2HB ASN 91 -0.669 2.058 -10.428 707 1HD2 ASN 91 2HD2 ASN 91 -3.652 3.557 -10.282 708 2HD2 ASN 91 1HD2 ASN 91 -4.267 3.090 -11.852 709 H LEU 92 H LEU 92 -1.318 -0.239 -7.017 710 HA LEU 92 HA LEU 92 1.542 -0.355 -7.316 711 1HB LEU 92 1HB LEU 92 -0.436 -0.758 -5.222 712 2HB LEU 92 2HB LEU 92 0.944 -1.831 -5.103 713 HG LEU 92 HG LEU 92 1.131 1.154 -5.286 714 1HD1 LEU 92 1HD1 LEU 92 0.001 0.451 -3.206 715 2HD1 LEU 92 2HD1 LEU 92 1.339 -0.707 -2.885 716 3HD1 LEU 92 3HD1 LEU 92 1.657 1.063 -2.865 717 1HD2 LEU 92 1HD2 LEU 92 3.164 -1.003 -4.615 718 2HD2 LEU 92 2HD2 LEU 92 3.095 -0.063 -6.146 719 3HD2 LEU 92 3HD2 LEU 92 3.471 0.768 -4.596 720 HA PRO 93 HA PRO 93 0.948 -5.054 -7.572 721 1HB PRO 93 1HB PRO 93 -1.600 -6.092 -7.743 722 2HB PRO 93 2HB PRO 93 -0.668 -5.991 -6.263 723 1HG PRO 93 1HG PRO 93 -2.985 -4.394 -7.095 724 2HG PRO 93 2HG PRO 93 -2.307 -4.598 -5.492 725 1HD PRO 93 1HD PRO 93 -1.958 -2.395 -7.252 726 2HD PRO 93 2HD PRO 93 -1.225 -2.631 -5.678 727 H ASN 94 H ASN 94 -0.534 -2.719 -9.449 728 HA ASN 94 HA ASN 94 -1.071 -4.409 -11.774 729 1HB ASN 94 1HB ASN 94 -1.075 -1.451 -11.255 730 2HB ASN 94 2HB ASN 94 -1.386 -2.138 -12.836 731 1HD2 ASN 94 2HD2 ASN 94 -3.252 -0.561 -11.835 732 2HD2 ASN 94 1HD2 ASN 94 -4.638 -1.481 -11.290 733 H VAL 95 H VAL 95 1.297 -1.982 -10.721 734 HA VAL 95 HA VAL 95 2.947 -2.518 -13.106 735 HB VAL 95 HB VAL 95 3.449 -0.494 -10.961 736 1HG1 VAL 95 1HG1 VAL 95 5.390 -1.006 -12.372 737 2HG1 VAL 95 2HG1 VAL 95 4.399 -0.698 -13.839 738 3HG1 VAL 95 3HG1 VAL 95 4.773 0.649 -12.709 739 1HG2 VAL 95 1HG2 VAL 95 1.880 -0.138 -13.546 740 2HG2 VAL 95 2HG2 VAL 95 1.202 -0.082 -11.883 741 3HG2 VAL 95 3HG2 VAL 95 2.356 1.184 -12.426 742 H CYS 96 H CYS 96 2.613 -3.581 -9.958 743 HA CYS 96 HA CYS 96 5.297 -4.808 -10.030 744 1HB CYS 96 1HB CYS 96 3.900 -3.564 -7.682 745 2HB CYS 96 2HB CYS 96 5.232 -4.690 -7.509 746 H ASN 97 H ASN 97 3.096 -5.990 -11.232 747 HA ASN 97 HA ASN 97 1.313 -7.559 -10.017 748 1HB ASN 97 1HB ASN 97 3.216 -8.187 -12.200 749 2HB ASN 97 2HB ASN 97 2.228 -9.482 -11.556 750 1HD2 ASN 97 2HD2 ASN 97 2.118 -6.247 -12.940 751 2HD2 ASN 97 1HD2 ASN 97 0.530 -6.412 -13.658 752 H MET 98 H MET 98 1.494 -8.251 -7.997 753 HA MET 98 HA MET 98 3.732 -10.063 -7.385 754 1HB MET 98 1HB MET 98 3.792 -9.193 -5.103 755 2HB MET 98 2HB MET 98 4.192 -7.976 -6.300 756 1HG MET 98 1HG MET 98 1.391 -7.959 -5.934 757 2HG MET 98 2HG MET 98 2.139 -7.935 -4.351 758 1HE MET 98 1HE MET 98 0.266 -5.617 -5.071 759 2HE MET 98 2HE MET 98 1.273 -5.646 -3.582 760 3HE MET 98 3HE MET 98 1.258 -4.184 -4.629 761 H LYS 99 H LYS 99 0.893 -10.415 -8.334 762 HA LYS 99 HA LYS 99 0.311 -12.601 -6.518 763 1HB LYS 99 1HB LYS 99 -0.824 -11.131 -5.171 764 2HB LYS 99 2HB LYS 99 -1.245 -10.075 -6.503 765 1HG LYS 99 1HG LYS 99 -2.604 -12.408 -7.078 766 2HG LYS 99 2HG LYS 99 -2.739 -12.272 -5.336 767 1HD LYS 99 1HD LYS 99 -4.584 -11.193 -6.640 768 2HD LYS 99 2HD LYS 99 -3.772 -10.154 -5.488 769 1HE LYS 99 1HE LYS 99 -2.498 -9.981 -8.069 770 2HE LYS 99 2HE LYS 99 -4.210 -9.637 -8.204 771 1HZ LYS 99 1HZ LYS 99 -3.977 -8.031 -6.453 772 2HZ LYS 99 2HZ LYS 99 -2.358 -8.356 -6.326 773 3HZ LYS 99 3HZ LYS 99 -2.957 -7.668 -7.707 774 H GLN 100 H GLN 100 0.594 -13.921 -8.187 775 HA GLN 100 HA GLN 100 -1.023 -13.504 -10.599 776 1HB GLN 100 1HB GLN 100 1.436 -14.434 -10.352 777 2HB GLN 100 2HB GLN 100 0.579 -15.955 -10.198 778 1HG GLN 100 1HG GLN 100 -0.122 -14.064 -12.406 779 2HG GLN 100 2HG GLN 100 1.278 -15.104 -12.566 780 1HE2 GLN 100 2HE2 GLN 100 0.850 -17.484 -12.113 781 2HE2 GLN 100 1HE2 GLN 100 -0.636 -18.135 -12.767 782 H ILE 101 H ILE 101 -2.129 -14.181 -7.816 783 HA ILE 101 HA ILE 101 -3.589 -16.639 -8.567 784 HB ILE 101 HB ILE 101 -2.717 -17.311 -6.632 785 1HG1 ILE 101 1HG1 ILE 101 -4.703 -15.699 -5.133 786 2HG1 ILE 101 2HG1 ILE 101 -5.275 -16.813 -6.358 787 1HG2 ILE 101 1HG2 ILE 101 -1.246 -15.395 -6.280 788 2HG2 ILE 101 2HG2 ILE 101 -2.620 -14.461 -5.594 789 3HG2 ILE 101 3HG2 ILE 101 -1.997 -15.911 -4.730 790 1HD1 ILE 101 1HD1 ILE 101 -4.122 -18.670 -5.241 791 2HD1 ILE 101 2HD1 ILE 101 -3.535 -17.527 -3.984 792 3HD1 ILE 101 3HD1 ILE 101 -5.295 -17.861 -4.145 793 H GLY 102 H GLY 102 -4.296 -13.858 -6.436 794 1HA GLY 102 1HA GLY 102 -6.152 -12.361 -7.453 795 2HA GLY 102 2HA GLY 102 -7.029 -13.872 -7.585 796 H THR 103 H THR 103 -5.177 -12.025 -5.178 797 HA THR 103 HA THR 103 -6.788 -13.142 -3.005 798 HB THR 103 HB THR 103 -4.617 -11.149 -2.576 799 HG1 THR 103 1HG THR 103 -3.136 -12.889 -2.729 800 1HG2 THR 103 1HG2 THR 103 -5.875 -12.137 -0.693 801 2HG2 THR 103 2HG2 THR 103 -5.401 -13.770 -1.276 802 3HG2 THR 103 3HG2 THR 103 -4.145 -12.628 -0.685 803 H CYS 104 H CYS 104 -5.743 -9.844 -3.957 804 HA CYS 104 HA CYS 104 -8.487 -8.926 -3.307 805 1HB CYS 104 1HB CYS 104 -7.604 -6.886 -2.510 806 2HB CYS 104 2HB CYS 104 -6.689 -8.174 -1.754 807 HA PRO 105 HA PRO 105 -7.592 -8.173 -7.784 808 1HB PRO 105 1HB PRO 105 -9.802 -9.448 -8.822 809 2HB PRO 105 2HB PRO 105 -8.224 -10.185 -8.630 810 1HG PRO 105 1HG PRO 105 -10.672 -10.620 -7.060 811 2HG PRO 105 2HG PRO 105 -9.251 -11.638 -7.195 812 1HD PRO 105 1HD PRO 105 -9.916 -9.892 -5.057 813 2HD PRO 105 2HD PRO 105 -8.445 -10.826 -5.246 814 H PHE 106 H PHE 106 -8.442 -6.307 -6.059 815 HA PHE 106 HA PHE 106 -11.028 -5.208 -6.904 816 1HB PHE 106 1HB PHE 106 -10.859 -3.940 -5.020 817 2HB PHE 106 2HB PHE 106 -9.793 -5.249 -4.545 818 HD1 PHE 106 1HD PHE 106 -7.221 -4.911 -4.919 819 HD2 PHE 106 2HD PHE 106 -10.111 -1.727 -5.178 820 HE1 PHE 106 1HE PHE 106 -5.397 -3.240 -4.615 821 HE2 PHE 106 2HE PHE 106 -8.302 -0.057 -4.829 822 HZ PHE 106 HZ PHE 106 -5.973 -0.825 -4.419 823 H ILE 107 H ILE 107 -11.162 -3.024 -7.644 824 HA ILE 107 HA ILE 107 -9.178 -1.342 -8.545 825 HB ILE 107 HB ILE 107 -9.509 -1.998 -11.106 826 1HG1 ILE 107 1HG1 ILE 107 -8.978 -4.741 -10.105 827 2HG1 ILE 107 2HG1 ILE 107 -10.644 -4.205 -10.167 828 1HG2 ILE 107 1HG2 ILE 107 -7.386 -1.438 -10.063 829 2HG2 ILE 107 2HG2 ILE 107 -7.328 -3.057 -9.283 830 3HG2 ILE 107 3HG2 ILE 107 -7.208 -2.916 -11.072 831 1HD1 ILE 107 1HD1 ILE 107 -10.412 -3.673 -12.547 832 2HD1 ILE 107 2HD1 ILE 107 -8.701 -4.222 -12.485 833 3HD1 ILE 107 3HD1 ILE 107 -10.034 -5.398 -12.211 834 H ALA 108 H ALA 108 -12.209 -2.869 -9.601 835 HA ALA 108 HA ALA 108 -13.357 -0.479 -10.706 836 1HB ALA 108 1HB ALA 108 -14.016 -2.705 -11.478 837 2HB ALA 108 2HB ALA 108 -14.604 -3.110 -9.827 838 3HB ALA 108 3HB ALA 108 -15.434 -1.839 -10.791 839 H ILE 109 H ILE 109 -12.408 0.477 -8.480 840 HA ILE 109 HA ILE 109 -14.527 0.625 -6.465 841 HB ILE 109 HB ILE 109 -12.899 1.818 -5.135 842 1HG1 ILE 109 1HG1 ILE 109 -10.703 1.311 -7.071 843 2HG1 ILE 109 2HG1 ILE 109 -11.720 2.712 -7.340 844 1HG2 ILE 109 1HG2 ILE 109 -12.964 -0.626 -4.988 845 2HG2 ILE 109 2HG2 ILE 109 -11.809 -0.740 -6.361 846 3HG2 ILE 109 3HG2 ILE 109 -11.281 -0.023 -4.797 847 1HD1 ILE 109 1HD1 ILE 109 -11.331 3.469 -5.018 848 2HD1 ILE 109 2HD1 ILE 109 -10.286 2.031 -4.742 849 3HD1 ILE 109 3HD1 ILE 109 -9.783 3.298 -5.916 Start of MODEL 12 1 1H GLN 1 1H GLN 1 -3.185 -18.727 0.357 2 2H GLN 1 2H GLN 1 -1.634 -19.305 0.419 3 3H GLN 1 3H GLN 1 -2.579 -19.610 -0.906 4 HA GLN 1 HA GLN 1 -4.077 -20.893 0.417 5 1HB GLN 1 1HB GLN 1 -1.387 -21.657 -0.217 6 2HB GLN 1 2HB GLN 1 -1.950 -22.500 1.211 7 1HG GLN 1 1HG GLN 1 -4.090 -22.917 -0.229 8 2HG GLN 1 2HG GLN 1 -3.010 -22.598 -1.571 9 1HE2 GLN 1 2HE2 GLN 1 -3.614 -24.693 1.210 10 2HE2 GLN 1 1HE2 GLN 1 -2.545 -25.983 0.709 11 HA PRO 2 HA PRO 2 -2.395 -21.005 4.822 12 1HB PRO 2 1HB PRO 2 -0.098 -19.621 5.461 13 2HB PRO 2 2HB PRO 2 -0.162 -21.336 5.109 14 1HG PRO 2 1HG PRO 2 0.876 -19.147 3.444 15 2HG PRO 2 2HG PRO 2 1.185 -20.867 3.319 16 1HD PRO 2 1HD PRO 2 -0.576 -19.325 1.730 17 2HD PRO 2 2HD PRO 2 -0.364 -21.063 1.694 18 H GLN 3 H GLN 3 -4.131 -19.776 5.411 19 HA GLN 3 HA GLN 3 -4.443 -17.007 4.948 20 1HB GLN 3 1HB GLN 3 -6.019 -18.926 6.024 21 2HB GLN 3 2HB GLN 3 -5.555 -18.047 7.467 22 1HG GLN 3 1HG GLN 3 -7.217 -16.611 6.957 23 2HG GLN 3 2HG GLN 3 -6.180 -16.035 5.668 24 1HE2 GLN 3 2HE2 GLN 3 -6.385 -17.094 3.523 25 2HE2 GLN 3 1HE2 GLN 3 -7.926 -17.792 3.075 26 H LYS 4 H LYS 4 -2.646 -18.717 7.431 27 HA LYS 4 HA LYS 4 -2.210 -16.854 9.361 28 1HB LYS 4 1HB LYS 4 -0.938 -19.162 8.621 29 2HB LYS 4 2HB LYS 4 0.321 -17.952 8.478 30 1HG LYS 4 1HG LYS 4 -1.435 -18.260 10.906 31 2HG LYS 4 2HG LYS 4 0.141 -19.008 10.750 32 1HD LYS 4 1HD LYS 4 1.252 -17.068 11.107 33 2HD LYS 4 2HD LYS 4 0.047 -16.102 10.279 34 1HE LYS 4 1HE LYS 4 -1.434 -16.551 12.327 35 2HE LYS 4 2HE LYS 4 0.050 -17.048 13.118 36 1HZ LYS 4 1HZ LYS 4 0.989 -14.912 12.593 37 2HZ LYS 4 2HZ LYS 4 -0.412 -14.443 11.846 38 3HZ LYS 4 3HZ LYS 4 -0.399 -14.728 13.477 39 H CYS 5 H CYS 5 -0.638 -16.752 6.131 40 HA CYS 5 HA CYS 5 0.972 -14.549 6.395 41 1HB CYS 5 1HB CYS 5 0.092 -16.074 4.386 42 2HB CYS 5 2HB CYS 5 -0.739 -14.575 4.025 43 H GLN 6 H GLN 6 -2.532 -14.420 5.679 44 HA GLN 6 HA GLN 6 -2.875 -11.663 5.746 45 1HB GLN 6 1HB GLN 6 -4.565 -13.988 5.957 46 2HB GLN 6 2HB GLN 6 -5.169 -12.642 6.903 47 1HG GLN 6 1HG GLN 6 -4.283 -11.754 4.315 48 2HG GLN 6 2HG GLN 6 -5.472 -13.032 4.164 49 1HE2 GLN 6 2HE2 GLN 6 -4.913 -10.059 6.128 50 2HE2 GLN 6 1HE2 GLN 6 -6.587 -9.551 6.106 51 H ARG 7 H ARG 7 -3.210 -13.885 8.475 52 HA ARG 7 HA ARG 7 -3.198 -11.768 10.423 53 1HB ARG 7 1HB ARG 7 -3.617 -14.638 10.401 54 2HB ARG 7 2HB ARG 7 -2.718 -14.088 11.800 55 1HG ARG 7 1HG ARG 7 -4.755 -13.616 12.655 56 2HG ARG 7 2HG ARG 7 -4.666 -12.193 11.638 57 1HD ARG 7 1HD ARG 7 -6.044 -13.121 10.000 58 2HD ARG 7 2HD ARG 7 -5.725 -14.761 10.527 59 HE ARG 7 HE ARG 7 -7.815 -13.038 11.451 60 1HH1 ARG 7 1HH2 ARG 7 -5.636 -15.537 12.611 61 2HH1 ARG 7 2HH2 ARG 7 -6.702 -15.988 13.924 62 1HH2 ARG 7 1HH1 ARG 7 -9.120 -13.662 13.161 63 2HH2 ARG 7 2HH1 ARG 7 -8.612 -14.957 14.222 64 H GLU 8 H GLU 8 -0.695 -12.454 8.585 65 HA GLU 8 HA GLU 8 1.330 -12.461 10.732 66 1HB GLU 8 1HB GLU 8 1.159 -13.925 8.289 67 2HB GLU 8 2HB GLU 8 2.591 -12.915 8.285 68 1HG GLU 8 1HG GLU 8 2.649 -13.939 10.802 69 2HG GLU 8 2HG GLU 8 1.960 -15.271 9.896 70 H PHE 9 H PHE 9 0.066 -10.800 7.963 71 HA PHE 9 HA PHE 9 2.130 -8.836 7.692 72 1HB PHE 9 1HB PHE 9 0.725 -9.062 5.858 73 2HB PHE 9 2HB PHE 9 -0.709 -9.203 6.855 74 HD1 PHE 9 1HD PHE 9 -1.768 -7.131 7.840 75 HD2 PHE 9 2HD PHE 9 1.331 -7.005 4.866 76 HE1 PHE 9 1HE PHE 9 -2.035 -4.688 7.689 77 HE2 PHE 9 2HE PHE 9 0.645 -4.687 4.329 78 HZ PHE 9 HZ PHE 9 -0.796 -3.427 5.929 79 H GLN 10 H GLN 10 -1.068 -8.900 9.358 80 HA GLN 10 HA GLN 10 -0.426 -6.255 10.450 81 1HB GLN 10 1HB GLN 10 -2.801 -7.342 9.667 82 2HB GLN 10 2HB GLN 10 -2.882 -7.481 11.412 83 1HG GLN 10 1HG GLN 10 -1.859 -4.936 10.985 84 2HG GLN 10 2HG GLN 10 -3.073 -5.117 9.736 85 1HE2 GLN 10 2HE2 GLN 10 -3.043 -3.334 12.097 86 2HE2 GLN 10 1HE2 GLN 10 -4.500 -3.726 12.982 87 H GLN 11 H GLN 11 -0.033 -9.467 11.327 88 HA GLN 11 HA GLN 11 -0.499 -9.679 14.009 89 1HB GLN 11 1HB GLN 11 0.781 -11.193 12.163 90 2HB GLN 11 2HB GLN 11 2.115 -10.713 13.191 91 1HG GLN 11 1HG GLN 11 -0.115 -11.439 14.819 92 2HG GLN 11 2HG GLN 11 0.192 -12.720 13.665 93 1HE2 GLN 11 2HE2 GLN 11 0.957 -11.564 16.698 94 2HE2 GLN 11 1HE2 GLN 11 2.413 -12.504 16.946 95 H GLU 12 H GLU 12 2.455 -8.432 12.508 96 HA GLU 12 HA GLU 12 2.974 -6.449 14.409 97 1HB GLU 12 1HB GLU 12 5.024 -7.696 15.453 98 2HB GLU 12 2HB GLU 12 3.427 -7.760 16.169 99 1HG GLU 12 1HG GLU 12 3.046 -9.952 15.361 100 2HG GLU 12 2HG GLU 12 4.428 -9.874 14.287 101 H GLN 13 H GLN 13 3.117 -6.964 11.559 102 HA GLN 13 HA GLN 13 5.627 -5.700 11.014 103 1HB GLN 13 1HB GLN 13 5.818 -8.451 11.152 104 2HB GLN 13 2HB GLN 13 5.661 -8.134 9.436 105 1HG GLN 13 1HG GLN 13 7.422 -6.281 9.849 106 2HG GLN 13 2HG GLN 13 7.750 -7.138 11.342 107 1HE2 GLN 13 2HE2 GLN 13 8.709 -9.228 11.265 108 2HE2 GLN 13 1HE2 GLN 13 9.493 -9.792 9.808 109 H HIS 14 H HIS 14 3.475 -4.511 10.598 110 HA HIS 14 HA HIS 14 2.115 -5.097 8.151 111 1HB HIS 14 1HB HIS 14 2.265 -2.322 9.153 112 2HB HIS 14 2HB HIS 14 0.912 -3.192 8.460 113 HD1 HIS 14 1HD HIS 14 0.401 -1.507 10.973 114 HD2 HIS 14 2HD HIS 14 1.592 -5.544 11.014 115 HE1 HIS 14 1HE HIS 14 -0.313 -2.465 13.266 116 HE2 HIS 14 2HE HIS 14 0.362 -4.935 13.243 117 H LEU 15 H LEU 15 2.175 -2.656 6.760 118 HA LEU 15 HA LEU 15 4.833 -2.978 5.514 119 1HB LEU 15 1HB LEU 15 2.119 -2.374 4.464 120 2HB LEU 15 2HB LEU 15 3.539 -1.910 3.548 121 HG LEU 15 HG LEU 15 2.351 -4.192 3.132 122 1HD1 LEU 15 1HD1 LEU 15 4.314 -3.506 1.901 123 2HD1 LEU 15 2HD1 LEU 15 5.356 -3.999 3.281 124 3HD1 LEU 15 3HD1 LEU 15 4.427 -5.238 2.368 125 1HD2 LEU 15 1HD2 LEU 15 4.257 -5.007 5.318 126 2HD2 LEU 15 2HD2 LEU 15 2.465 -5.140 5.361 127 3HD2 LEU 15 3HD2 LEU 15 3.410 -6.112 4.181 128 H ARG 16 H ARG 16 5.619 -0.967 4.367 129 HA ARG 16 HA ARG 16 4.853 1.510 5.740 130 1HB ARG 16 1HB ARG 16 7.568 0.294 5.850 131 2HB ARG 16 2HB ARG 16 7.339 2.027 5.958 132 1HG ARG 16 1HG ARG 16 5.527 0.702 7.736 133 2HG ARG 16 2HG ARG 16 7.161 0.141 8.031 134 1HD ARG 16 1HD ARG 16 7.571 2.815 7.813 135 2HD ARG 16 2HD ARG 16 5.966 2.784 8.514 136 HE ARG 16 HE ARG 16 6.843 1.945 10.491 137 1HH1 ARG 16 1HH2 ARG 16 9.281 1.789 7.952 138 2HH1 ARG 16 2HH2 ARG 16 10.534 1.293 9.070 139 1HH2 ARG 16 1HH1 ARG 16 8.486 1.277 11.835 140 2HH2 ARG 16 2HH1 ARG 16 10.095 1.013 11.201 141 H ALA 17 H ALA 17 7.745 0.784 3.780 142 HA ALA 17 HA ALA 17 7.467 2.859 2.050 143 1HB ALA 17 1HB ALA 17 9.451 1.497 2.114 144 2HB ALA 17 2HB ALA 17 8.541 0.109 1.419 145 3HB ALA 17 3HB ALA 17 8.821 1.587 0.433 146 H CYS 18 H CYS 18 5.483 -0.065 1.942 147 HA CYS 18 HA CYS 18 4.251 0.581 -0.566 148 1HB CYS 18 1HB CYS 18 3.335 -1.165 1.678 149 2HB CYS 18 2HB CYS 18 2.645 -1.120 0.069 150 H GLN 19 H GLN 19 3.119 0.862 2.778 151 HA GLN 19 HA GLN 19 1.045 2.728 1.986 152 1HB GLN 19 1HB GLN 19 0.497 2.645 4.424 153 2HB GLN 19 2HB GLN 19 0.320 1.164 3.505 154 1HG GLN 19 1HG GLN 19 1.957 0.101 4.646 155 2HG GLN 19 2HG GLN 19 2.905 1.560 4.858 156 1HE2 GLN 19 2HE2 GLN 19 1.562 3.291 6.213 157 2HE2 GLN 19 1HE2 GLN 19 0.887 2.665 7.701 158 H GLN 20 H GLN 20 3.795 3.621 1.655 159 HA GLN 20 HA GLN 20 3.712 6.094 3.244 160 1HB GLN 20 1HB GLN 20 6.075 4.272 3.021 161 2HB GLN 20 2HB GLN 20 6.227 5.975 3.404 162 1HG GLN 20 1HG GLN 20 4.317 5.142 5.178 163 2HG GLN 20 2HG GLN 20 5.374 3.748 5.085 164 1HE2 GLN 20 2HE2 GLN 20 4.776 5.975 7.133 165 2HE2 GLN 20 1HE2 GLN 20 6.378 6.461 7.641 166 H TRP 21 H TRP 21 4.995 4.317 0.431 167 HA TRP 21 HA TRP 21 6.104 6.552 -0.887 168 1HB TRP 21 1HB TRP 21 6.084 5.293 -2.806 169 2HB TRP 21 2HB TRP 21 6.169 4.103 -1.524 170 HD1 TRP 21 HD TRP 21 4.367 2.258 -1.496 171 HE1 TRP 21 1HE TRP 21 2.250 1.749 -2.854 172 HE3 TRP 21 3HE TRP 21 4.200 6.524 -4.232 173 HZ2 TRP 21 2HZ TRP 21 0.673 3.062 -4.910 174 HZ3 TRP 21 3HZ TRP 21 2.411 6.863 -5.909 175 HH2 TRP 21 HH TRP 21 0.656 5.146 -6.264 176 H ILE 22 H ILE 22 2.785 5.448 -0.588 177 HA ILE 22 HA ILE 22 1.584 7.211 -2.467 178 HB ILE 22 HB ILE 22 0.392 6.046 0.041 179 1HG1 ILE 22 1HG1 ILE 22 0.120 4.881 -2.697 180 2HG1 ILE 22 2HG1 ILE 22 1.439 4.420 -1.641 181 1HG2 ILE 22 1HG2 ILE 22 -1.024 7.814 -0.941 182 2HG2 ILE 22 2HG2 ILE 22 -0.948 6.975 -2.530 183 3HG2 ILE 22 3HG2 ILE 22 -1.777 6.192 -1.138 184 1HD1 ILE 22 1HD1 ILE 22 -0.160 3.624 0.048 185 2HD1 ILE 22 2HD1 ILE 22 -1.513 4.096 -1.036 186 3HD1 ILE 22 3HD1 ILE 22 -0.382 2.789 -1.529 187 H ARG 23 H ARG 23 2.501 7.553 0.931 188 HA ARG 23 HA ARG 23 1.428 10.176 1.318 189 1HB ARG 23 1HB ARG 23 3.114 8.348 2.850 190 2HB ARG 23 2HB ARG 23 3.355 10.052 3.175 191 1HG ARG 23 1HG ARG 23 1.650 8.790 4.597 192 2HG ARG 23 2HG ARG 23 1.181 10.343 3.936 193 1HD ARG 23 1HD ARG 23 0.546 8.047 2.228 194 2HD ARG 23 2HD ARG 23 -0.311 8.085 3.755 195 HE ARG 23 HE ARG 23 -0.650 10.615 2.910 196 1HH1 ARG 23 1HH2 ARG 23 -0.948 7.699 1.089 197 2HH1 ARG 23 2HH2 ARG 23 -2.290 8.304 0.144 198 1HH2 ARG 23 1HH1 ARG 23 -2.459 11.313 1.752 199 2HH2 ARG 23 2HH1 ARG 23 -3.119 10.278 0.505 200 H GLN 24 H GLN 24 4.468 9.032 0.083 201 HA GLN 24 HA GLN 24 5.642 11.665 -0.083 202 1HB GLN 24 1HB GLN 24 6.388 8.901 -0.871 203 2HB GLN 24 2HB GLN 24 7.258 10.252 -1.570 204 1HG GLN 24 1HG GLN 24 6.811 10.288 1.362 205 2HG GLN 24 2HG GLN 24 7.983 9.139 0.745 206 1HE2 GLN 24 2HE2 GLN 24 9.834 10.100 1.555 207 2HE2 GLN 24 1HE2 GLN 24 10.390 11.676 1.040 208 H GLN 25 H GLN 25 3.103 10.387 -1.729 209 HA GLN 25 HA GLN 25 3.824 11.567 -4.314 210 1HB GLN 25 1HB GLN 25 1.939 9.592 -3.391 211 2HB GLN 25 2HB GLN 25 1.174 10.778 -4.429 212 1HG GLN 25 1HG GLN 25 3.425 10.342 -5.819 213 2HG GLN 25 2HG GLN 25 3.244 8.776 -5.050 214 1HE2 GLN 25 2HE2 GLN 25 3.172 8.556 -7.634 215 2HE2 GLN 25 1HE2 GLN 25 1.541 8.383 -8.243 216 H LEU 26 H LEU 26 2.498 12.675 -1.451 217 HA LEU 26 HA LEU 26 1.226 14.955 -2.807 218 1HB LEU 26 1HB LEU 26 -0.011 14.576 -0.295 219 2HB LEU 26 2HB LEU 26 -0.736 14.589 -1.888 220 HG LEU 26 HG LEU 26 -0.069 12.121 -1.982 221 1HD1 LEU 26 1HD1 LEU 26 1.466 12.206 -0.092 222 2HD1 LEU 26 2HD1 LEU 26 0.107 12.676 0.988 223 3HD1 LEU 26 3HD1 LEU 26 0.128 11.047 0.230 224 1HD2 LEU 26 1HD2 LEU 26 -2.200 13.005 -0.018 225 2HD2 LEU 26 2HD2 LEU 26 -2.404 12.862 -1.799 226 3HD2 LEU 26 3HD2 LEU 26 -2.094 11.394 -0.809 227 H ALA 27 H ALA 27 1.016 16.840 -1.281 228 HA ALA 27 HA ALA 27 3.616 17.270 -0.036 229 1HB ALA 27 1HB ALA 27 2.746 18.923 -1.584 230 2HB ALA 27 2HB ALA 27 1.278 19.120 -0.566 231 3HB ALA 27 3HB ALA 27 2.883 19.630 0.063 232 H GLY 28 H GLY 28 1.954 15.372 1.291 233 1HA GLY 28 1HA GLY 28 1.371 16.745 3.860 234 2HA GLY 28 2HA GLY 28 0.463 15.371 3.261 235 H SER 29 H SER 29 3.947 15.733 3.095 236 HA SER 29 HA SER 29 4.387 13.695 5.184 237 1HB SER 29 1HB SER 29 4.489 12.551 3.055 238 2HB SER 29 2HB SER 29 5.616 13.744 2.442 239 HG SER 29 HG SER 29 6.661 11.839 3.162 240 HA PRO 30 HA PRO 30 7.089 17.316 5.971 241 1HB PRO 30 1HB PRO 30 6.615 17.450 8.666 242 2HB PRO 30 2HB PRO 30 5.694 18.350 7.479 243 1HG PRO 30 1HG PRO 30 4.902 15.969 9.027 244 2HG PRO 30 2HG PRO 30 3.886 17.149 8.222 245 1HD PRO 30 1HD PRO 30 4.575 14.549 7.291 246 2HD PRO 30 2HD PRO 30 3.646 15.767 6.440 247 H PHE 31 H PHE 31 8.755 17.436 7.879 248 HA PHE 31 HA PHE 31 9.852 15.116 9.035 249 1HB PHE 31 1HB PHE 31 11.835 15.029 7.339 250 2HB PHE 31 2HB PHE 31 10.373 14.116 7.019 251 HD1 PHE 31 1HD PHE 31 9.306 14.306 4.934 252 HD2 PHE 31 2HD PHE 31 11.949 17.450 6.242 253 HE1 PHE 31 1HE PHE 31 8.979 15.478 2.792 254 HE2 PHE 31 2HE PHE 31 11.616 18.624 4.098 255 HZ PHE 31 HZ PHE 31 10.113 17.657 2.353 256 H SER 32 H SER 32 12.019 15.482 9.820 257 HA SER 32 HA SER 32 13.618 17.724 9.492 258 1HB SER 32 1HB SER 32 13.091 18.993 11.612 259 2HB SER 32 2HB SER 32 11.959 19.214 10.295 260 HG SER 32 HG SER 32 10.900 18.803 12.301 261 H GLU 33 H GLU 33 12.206 15.707 12.042 262 HA GLU 33 HA GLU 33 14.932 15.108 13.058 263 1HB GLU 33 1HB GLU 33 13.521 16.293 14.676 264 2HB GLU 33 2HB GLU 33 12.313 15.030 14.545 265 1HG GLU 33 1HG GLU 33 13.980 13.387 15.348 266 2HG GLU 33 2HG GLU 33 15.141 14.685 15.540 267 H ASN 34 H ASN 34 11.716 13.737 12.427 268 HA ASN 34 HA ASN 34 12.907 11.033 12.285 269 1HB ASN 34 1HB ASN 34 11.009 11.379 13.843 270 2HB ASN 34 2HB ASN 34 10.015 11.841 12.475 271 1HD2 ASN 34 2HD2 ASN 34 8.651 10.042 13.211 272 2HD2 ASN 34 1HD2 ASN 34 9.049 8.423 12.679 273 H GLN 35 H GLN 35 13.885 11.891 10.242 274 HA GLN 35 HA GLN 35 12.550 12.616 7.959 275 1HB GLN 35 1HB GLN 35 15.076 11.661 8.599 276 2HB GLN 35 2HB GLN 35 14.488 10.553 7.376 277 1HG GLN 35 1HG GLN 35 15.498 12.255 6.148 278 2HG GLN 35 2HG GLN 35 13.789 12.635 6.081 279 1HE2 GLN 35 2HE2 GLN 35 14.753 14.752 5.393 280 2HE2 GLN 35 1HE2 GLN 35 15.128 15.892 6.666 281 H TRP 36 H TRP 36 11.614 11.527 6.142 282 HA TRP 36 HA TRP 36 9.973 9.284 6.950 283 1HB TRP 36 1HB TRP 36 9.415 11.350 5.439 284 2HB TRP 36 2HB TRP 36 9.956 10.276 4.165 285 HD1 TRP 36 HD TRP 36 8.243 8.465 3.333 286 HE1 TRP 36 1HE TRP 36 5.849 7.820 4.034 287 HE3 TRP 36 3HE TRP 36 7.954 11.044 7.743 288 HZ2 TRP 36 2HZ TRP 36 4.070 8.287 6.261 289 HZ3 TRP 36 3HZ TRP 36 5.934 10.867 9.171 290 HH2 TRP 36 HH TRP 36 3.995 9.473 8.453 291 H GLY 37 H GLY 37 12.316 8.197 7.216 292 1HA GLY 37 1HA GLY 37 14.144 7.065 6.400 293 2HA GLY 37 2HA GLY 37 12.882 6.013 5.790 294 HA PRO 38 HA PRO 38 13.849 8.608 1.989 295 1HB PRO 38 1HB PRO 38 15.714 10.632 2.068 296 2HB PRO 38 2HB PRO 38 13.988 10.880 2.238 297 1HG PRO 38 1HG PRO 38 16.079 10.954 4.294 298 2HG PRO 38 2HG PRO 38 14.460 11.624 4.341 299 1HD PRO 38 1HD PRO 38 15.366 9.254 5.602 300 2HD PRO 38 2HD PRO 38 13.720 9.847 5.528 301 H GLN 39 H GLN 39 16.819 8.640 4.026 302 HA GLN 39 HA GLN 39 18.370 7.476 1.856 303 1HB GLN 39 1HB GLN 39 19.042 8.115 4.706 304 2HB GLN 39 2HB GLN 39 20.190 7.492 3.537 305 1HG GLN 39 1HG GLN 39 18.724 9.769 2.506 306 2HG GLN 39 2HG GLN 39 19.571 10.160 3.990 307 1HE2 GLN 39 2HE2 GLN 39 20.763 11.672 2.584 308 2HE2 GLN 39 1HE2 GLN 39 22.124 11.058 1.673 309 H GLN 40 H GLN 40 16.091 6.141 3.725 310 HA GLN 40 HA GLN 40 17.489 3.543 3.957 311 1HB GLN 40 1HB GLN 40 16.722 4.745 6.076 312 2HB GLN 40 2HB GLN 40 15.093 4.357 5.561 313 1HG GLN 40 1HG GLN 40 15.653 1.993 5.474 314 2HG GLN 40 2HG GLN 40 17.314 2.351 5.900 315 1HE2 GLN 40 2HE2 GLN 40 16.283 0.523 7.445 316 2HE2 GLN 40 1HE2 GLN 40 15.776 1.161 8.993 317 H GLY 41 H GLY 41 14.515 5.146 3.050 318 1HA GLY 41 1HA GLY 41 13.811 2.960 1.223 319 2HA GLY 41 2HA GLY 41 12.611 3.566 2.347 320 HA PRO 42 HA PRO 42 13.362 7.274 -0.567 321 1HB PRO 42 1HB PRO 42 15.229 7.006 -2.596 322 2HB PRO 42 2HB PRO 42 15.531 7.813 -1.070 323 1HG PRO 42 1HG PRO 42 16.490 5.191 -1.987 324 2HG PRO 42 2HG PRO 42 17.084 6.176 -0.665 325 1HD PRO 42 1HD PRO 42 15.439 3.866 -0.482 326 2HD PRO 42 2HD PRO 42 15.937 4.918 0.828 327 H SER 43 H SER 43 14.405 4.484 -2.537 328 HA SER 43 HA SER 43 12.358 5.057 -4.519 329 1HB SER 43 1HB SER 43 14.032 2.599 -4.581 330 2HB SER 43 2HB SER 43 13.441 3.575 -5.910 331 HG SER 43 HG SER 43 15.689 3.826 -5.569 332 H LEU 44 H LEU 44 10.775 4.778 -2.491 333 HA LEU 44 HA LEU 44 10.219 2.274 -1.408 334 1HB LEU 44 1HB LEU 44 8.201 4.334 -2.188 335 2HB LEU 44 2HB LEU 44 7.999 3.061 -1.000 336 HG LEU 44 HG LEU 44 10.074 4.298 0.082 337 1HD1 LEU 44 1HD1 LEU 44 10.295 5.977 -1.675 338 2HD1 LEU 44 2HD1 LEU 44 8.597 6.498 -1.389 339 3HD1 LEU 44 3HD1 LEU 44 9.840 6.746 -0.114 340 1HD2 LEU 44 1HD2 LEU 44 7.224 5.268 0.383 341 2HD2 LEU 44 2HD2 LEU 44 7.972 3.884 1.254 342 3HD2 LEU 44 3HD2 LEU 44 8.565 5.556 1.545 343 H ARG 45 H ARG 45 8.909 3.677 -4.506 344 HA ARG 45 HA ARG 45 7.407 1.388 -5.168 345 1HB ARG 45 1HB ARG 45 8.883 3.322 -6.904 346 2HB ARG 45 2HB ARG 45 7.743 2.137 -7.507 347 1HG ARG 45 1HG ARG 45 7.168 4.417 -5.634 348 2HG ARG 45 2HG ARG 45 6.603 4.233 -7.281 349 1HD ARG 45 1HD ARG 45 5.706 1.920 -6.141 350 2HD ARG 45 2HD ARG 45 5.574 3.040 -4.800 351 HE ARG 45 HE ARG 45 3.868 4.165 -5.891 352 1HH1 ARG 45 1HH2 ARG 45 5.369 1.886 -8.109 353 2HH1 ARG 45 2HH2 ARG 45 4.130 2.123 -9.322 354 1HH2 ARG 45 1HH1 ARG 45 2.350 4.432 -7.460 355 2HH2 ARG 45 2HH1 ARG 45 2.455 3.538 -8.961 356 H GLU 46 H GLU 46 10.832 1.673 -5.142 357 HA GLU 46 HA GLU 46 11.202 -0.872 -6.572 358 1HB GLU 46 1HB GLU 46 12.733 1.557 -6.141 359 2HB GLU 46 2HB GLU 46 13.673 0.104 -5.872 360 1HG GLU 46 1HG GLU 46 12.412 -0.556 -8.169 361 2HG GLU 46 2HG GLU 46 12.548 1.178 -8.371 362 H GLN 47 H GLN 47 11.134 0.425 -3.385 363 HA GLN 47 HA GLN 47 12.609 -1.821 -2.226 364 1HB GLN 47 1HB GLN 47 12.097 0.907 -1.432 365 2HB GLN 47 2HB GLN 47 11.661 -0.228 -0.169 366 1HG GLN 47 1HG GLN 47 14.112 -1.150 -1.097 367 2HG GLN 47 2HG GLN 47 14.288 0.593 -1.080 368 1HE2 GLN 47 2HE2 GLN 47 12.559 1.166 1.135 369 2HE2 GLN 47 1HE2 GLN 47 13.315 0.524 2.577 370 H CYS 48 H CYS 48 9.447 -0.145 -1.752 371 HA CYS 48 HA CYS 48 8.124 -2.170 -0.391 372 1HB CYS 48 1HB CYS 48 6.918 -0.217 -0.539 373 2HB CYS 48 2HB CYS 48 7.151 -0.090 -2.271 374 H CYS 49 H CYS 49 8.440 -1.833 -4.003 375 HA CYS 49 HA CYS 49 6.920 -4.083 -4.660 376 1HB CYS 49 1HB CYS 49 8.534 -2.361 -5.987 377 2HB CYS 49 2HB CYS 49 9.420 -3.867 -6.121 378 H ASN 50 H ASN 50 9.944 -4.060 -2.986 379 HA ASN 50 HA ASN 50 10.234 -6.982 -3.128 380 1HB ASN 50 1HB ASN 50 12.018 -4.722 -2.807 381 2HB ASN 50 2HB ASN 50 12.273 -5.944 -1.578 382 1HD2 ASN 50 2HD2 ASN 50 11.743 -5.602 -5.077 383 2HD2 ASN 50 1HD2 ASN 50 12.803 -6.916 -5.537 384 H GLU 51 H GLU 51 10.023 -4.372 -0.718 385 HA GLU 51 HA GLU 51 9.904 -5.930 1.603 386 1HB GLU 51 1HB GLU 51 9.955 -3.944 2.599 387 2HB GLU 51 2HB GLU 51 9.932 -3.218 1.006 388 1HG GLU 51 1HG GLU 51 7.459 -3.211 1.083 389 2HG GLU 51 2HG GLU 51 7.535 -3.841 2.717 390 H LEU 52 H LEU 52 7.524 -5.444 -0.807 391 HA LEU 52 HA LEU 52 5.365 -6.355 0.942 392 1HB LEU 52 1HB LEU 52 4.005 -5.281 -0.429 393 2HB LEU 52 2HB LEU 52 5.472 -4.487 -0.967 394 HG LEU 52 HG LEU 52 4.162 -5.024 -2.817 395 1HD1 LEU 52 1HD1 LEU 52 6.510 -5.358 -3.330 396 2HD1 LEU 52 2HD1 LEU 52 6.378 -7.069 -2.791 397 3HD1 LEU 52 3HD1 LEU 52 5.463 -6.506 -4.235 398 1HD2 LEU 52 1HD2 LEU 52 4.067 -7.806 -1.685 399 2HD2 LEU 52 2HD2 LEU 52 2.730 -6.605 -1.768 400 3HD2 LEU 52 3HD2 LEU 52 3.396 -7.317 -3.280 401 H TYR 53 H TYR 53 7.539 -7.442 -1.526 402 HA TYR 53 HA TYR 53 6.163 -9.944 -2.088 403 1HB TYR 53 1HB TYR 53 7.883 -8.235 -3.470 404 2HB TYR 53 2HB TYR 53 8.814 -9.691 -3.178 405 HD1 TYR 53 1HD TYR 53 7.267 -11.941 -3.578 406 HD2 TYR 53 2HD TYR 53 6.886 -8.123 -5.557 407 HE1 TYR 53 1HE TYR 53 6.351 -13.070 -5.591 408 HE2 TYR 53 2HE TYR 53 5.856 -9.247 -7.507 409 HH TYR 53 HH TYR 53 4.907 -11.196 -8.250 410 H GLN 54 H GLN 54 7.770 -8.985 0.482 411 HA GLN 54 HA GLN 54 9.618 -11.225 0.789 412 1HB GLN 54 1HB GLN 54 10.352 -10.125 2.763 413 2HB GLN 54 2HB GLN 54 10.237 -8.939 1.478 414 1HG GLN 54 1HG GLN 54 8.115 -8.144 2.405 415 2HG GLN 54 2HG GLN 54 8.237 -9.326 3.693 416 1HE2 GLN 54 2HE2 GLN 54 10.526 -9.244 4.800 417 2HE2 GLN 54 1HE2 GLN 54 11.057 -7.641 5.255 418 H GLU 55 H GLU 55 6.534 -10.075 1.994 419 HA GLU 55 HA GLU 55 6.327 -12.189 3.962 420 1HB GLU 55 1HB GLU 55 4.242 -10.236 3.072 421 2HB GLU 55 2HB GLU 55 4.218 -11.217 4.524 422 1HG GLU 55 1HG GLU 55 6.426 -9.974 5.084 423 2HG GLU 55 2HG GLU 55 5.856 -8.804 3.912 424 H ASP 56 H ASP 56 6.442 -12.625 0.887 425 HA ASP 56 HA ASP 56 5.725 -14.274 -0.503 426 1HB ASP 56 1HB ASP 56 5.080 -15.455 1.725 427 2HB ASP 56 2HB ASP 56 3.447 -15.005 1.280 428 H GLN 57 H GLN 57 3.310 -15.016 -1.447 429 HA GLN 57 HA GLN 57 2.156 -12.519 -2.431 430 1HB GLN 57 1HB GLN 57 2.112 -15.372 -3.204 431 2HB GLN 57 2HB GLN 57 0.763 -14.372 -3.706 432 1HG GLN 57 1HG GLN 57 2.772 -14.571 -5.293 433 2HG GLN 57 2HG GLN 57 2.119 -12.974 -4.987 434 1HE2 GLN 57 2HE2 GLN 57 4.707 -15.228 -4.075 435 2HE2 GLN 57 1HE2 GLN 57 5.826 -13.994 -3.541 436 H VAL 58 H VAL 58 1.449 -14.938 -0.132 437 HA VAL 58 HA VAL 58 -1.391 -14.440 -0.055 438 HB VAL 58 HB VAL 58 0.054 -15.807 2.119 439 1HG1 VAL 58 1HG1 VAL 58 -2.332 -15.525 2.370 440 2HG1 VAL 58 2HG1 VAL 58 -2.608 -16.287 0.764 441 3HG1 VAL 58 3HG1 VAL 58 -1.942 -17.262 2.121 442 1HG2 VAL 58 1HG2 VAL 58 -0.420 -17.080 -0.590 443 2HG2 VAL 58 2HG2 VAL 58 1.175 -16.729 0.162 444 3HG2 VAL 58 3HG2 VAL 58 0.080 -17.949 0.901 445 H CYS 59 H CYS 59 1.148 -12.647 0.872 446 HA CYS 59 HA CYS 59 -0.317 -11.103 2.922 447 1HB CYS 59 1HB CYS 59 2.582 -11.603 2.452 448 2HB CYS 59 2HB CYS 59 1.998 -10.300 3.466 449 H VAL 60 H VAL 60 0.465 -11.153 -0.296 450 HA VAL 60 HA VAL 60 0.903 -8.327 -0.682 451 HB VAL 60 HB VAL 60 0.164 -10.628 -2.412 452 1HG1 VAL 60 1HG1 VAL 60 -1.163 -8.751 -3.301 453 2HG1 VAL 60 2HG1 VAL 60 0.323 -7.737 -3.332 454 3HG1 VAL 60 3HG1 VAL 60 0.195 -9.177 -4.401 455 1HG2 VAL 60 1HG2 VAL 60 2.484 -8.696 -2.212 456 2HG2 VAL 60 2HG2 VAL 60 2.437 -10.388 -1.606 457 3HG2 VAL 60 3HG2 VAL 60 2.375 -10.064 -3.374 458 H CYS 61 H CYS 61 -1.823 -10.255 0.094 459 HA CYS 61 HA CYS 61 -3.475 -8.107 0.573 460 1HB CYS 61 1HB CYS 61 -3.411 -8.709 -2.199 461 2HB CYS 61 2HB CYS 61 -5.011 -9.032 -1.564 462 HA PRO 62 HA PRO 62 -5.864 -7.877 0.238 463 1HB PRO 62 1HB PRO 62 -7.828 -7.693 2.096 464 2HB PRO 62 2HB PRO 62 -8.065 -8.372 0.499 465 1HG PRO 62 1HG PRO 62 -7.840 -9.760 3.094 466 2HG PRO 62 2HG PRO 62 -8.576 -10.318 1.606 467 1HD PRO 62 1HD PRO 62 -6.000 -11.012 2.614 468 2HD PRO 62 2HD PRO 62 -6.693 -11.481 1.075 469 H THR 63 H THR 63 -4.137 -9.169 2.793 470 HA THR 63 HA THR 63 -3.820 -7.410 4.790 471 HB THR 63 HB THR 63 -1.353 -7.784 4.464 472 HG1 THR 63 1HG THR 63 -0.910 -9.128 2.652 473 1HG2 THR 63 1HG2 THR 63 -2.778 -9.485 5.605 474 2HG2 THR 63 2HG2 THR 63 -3.120 -10.209 3.996 475 3HG2 THR 63 3HG2 THR 63 -1.445 -10.222 4.651 476 H LEU 64 H LEU 64 -2.353 -6.684 1.549 477 HA LEU 64 HA LEU 64 -1.273 -4.188 2.189 478 1HB LEU 64 1HB LEU 64 -1.697 -5.750 -0.064 479 2HB LEU 64 2HB LEU 64 -2.465 -4.217 -0.423 480 HG LEU 64 HG LEU 64 0.246 -4.085 0.715 481 1HD1 LEU 64 1HD1 LEU 64 0.497 -5.981 -0.807 482 2HD1 LEU 64 2HD1 LEU 64 -0.263 -5.019 -2.122 483 3HD1 LEU 64 3HD1 LEU 64 1.330 -4.527 -1.453 484 1HD2 LEU 64 1HD2 LEU 64 -1.117 -2.663 -1.597 485 2HD2 LEU 64 2HD2 LEU 64 -0.964 -2.042 0.086 486 3HD2 LEU 64 3HD2 LEU 64 0.505 -2.265 -0.929 487 H LYS 65 H LYS 65 -4.588 -5.015 1.268 488 HA LYS 65 HA LYS 65 -5.783 -2.514 1.088 489 1HB LYS 65 1HB LYS 65 -6.857 -4.781 0.731 490 2HB LYS 65 2HB LYS 65 -7.076 -4.842 2.468 491 1HG LYS 65 1HG LYS 65 -7.990 -2.345 1.299 492 2HG LYS 65 2HG LYS 65 -8.831 -3.745 0.664 493 1HD LYS 65 1HD LYS 65 -8.459 -3.476 3.619 494 2HD LYS 65 2HD LYS 65 -9.721 -2.556 2.825 495 1HE LYS 65 1HE LYS 65 -11.033 -4.352 2.868 496 2HE LYS 65 2HE LYS 65 -9.889 -5.193 1.842 497 1HZ LYS 65 1HZ LYS 65 -8.735 -5.915 3.804 498 2HZ LYS 65 2HZ LYS 65 -9.818 -5.121 4.774 499 3HZ LYS 65 3HZ LYS 65 -10.317 -6.401 3.851 500 H GLN 66 H GLN 66 -5.016 -4.343 4.071 501 HA GLN 66 HA GLN 66 -6.093 -2.510 5.924 502 1HB GLN 66 1HB GLN 66 -4.480 -4.803 6.033 503 2HB GLN 66 2HB GLN 66 -3.626 -3.542 6.898 504 1HG GLN 66 1HG GLN 66 -4.895 -4.058 8.662 505 2HG GLN 66 2HG GLN 66 -6.235 -3.326 7.804 506 1HE2 GLN 66 2HE2 GLN 66 -4.383 -6.399 7.504 507 2HE2 GLN 66 1HE2 GLN 66 -5.798 -7.420 7.383 508 H ALA 67 H ALA 67 -2.661 -2.749 4.880 509 HA ALA 67 HA ALA 67 -1.773 -0.360 6.014 510 1HB ALA 67 1HB ALA 67 -0.263 -2.061 5.095 511 2HB ALA 67 2HB ALA 67 -0.870 -1.700 3.441 512 3HB ALA 67 3HB ALA 67 0.055 -0.455 4.351 513 H ALA 68 H ALA 68 -3.764 -0.830 3.175 514 HA ALA 68 HA ALA 68 -3.524 1.808 2.088 515 1HB ALA 68 1HB ALA 68 -4.182 -0.121 0.723 516 2HB ALA 68 2HB ALA 68 -5.637 -0.353 1.754 517 3HB ALA 68 3HB ALA 68 -5.483 1.120 0.734 518 H LYS 69 H LYS 69 -6.025 0.180 4.101 519 HA LYS 69 HA LYS 69 -7.515 2.573 4.559 520 1HB LYS 69 1HB LYS 69 -8.024 -0.032 4.959 521 2HB LYS 69 2HB LYS 69 -7.676 0.477 6.600 522 1HG LYS 69 1HG LYS 69 -9.829 1.149 6.677 523 2HG LYS 69 2HG LYS 69 -9.313 2.494 5.678 524 1HD LYS 69 1HD LYS 69 -10.022 1.444 3.703 525 2HD LYS 69 2HD LYS 69 -10.159 -0.118 4.488 526 1HE LYS 69 1HE LYS 69 -12.018 1.002 5.877 527 2HE LYS 69 2HE LYS 69 -12.020 2.208 4.607 528 1HZ LYS 69 1HZ LYS 69 -12.391 0.462 3.015 529 2HZ LYS 69 2HZ LYS 69 -12.389 -0.678 4.216 530 3HZ LYS 69 3HZ LYS 69 -13.588 0.461 4.158 531 H SER 70 H SER 70 -4.694 1.278 6.074 532 HA SER 70 HA SER 70 -4.703 3.365 8.143 533 1HB SER 70 1HB SER 70 -4.530 1.122 8.981 534 2HB SER 70 2HB SER 70 -3.137 0.824 7.960 535 HG SER 70 HG SER 70 -2.568 1.224 10.123 536 H VAL 71 H VAL 71 -3.958 3.450 5.124 537 HA VAL 71 HA VAL 71 -1.119 3.911 5.117 538 HB VAL 71 HB VAL 71 -2.922 3.427 3.206 539 1HG1 VAL 71 1HG1 VAL 71 -3.876 5.636 3.120 540 2HG1 VAL 71 2HG1 VAL 71 -2.243 6.325 2.824 541 3HG1 VAL 71 3HG1 VAL 71 -2.994 5.239 1.605 542 1HG2 VAL 71 1HG2 VAL 71 -0.274 4.762 2.761 543 2HG2 VAL 71 2HG2 VAL 71 -0.578 3.001 2.964 544 3HG2 VAL 71 3HG2 VAL 71 -1.227 3.866 1.528 545 H ARG 72 H ARG 72 -3.871 5.738 5.844 546 HA ARG 72 HA ARG 72 -2.378 8.031 6.734 547 1HB ARG 72 1HB ARG 72 -3.310 8.029 4.119 548 2HB ARG 72 2HB ARG 72 -4.482 8.982 5.006 549 1HG ARG 72 1HG ARG 72 -1.547 9.407 5.358 550 2HG ARG 72 2HG ARG 72 -2.421 10.171 4.045 551 1HD ARG 72 1HD ARG 72 -3.912 11.220 5.715 552 2HD ARG 72 2HD ARG 72 -2.912 10.540 6.983 553 HE ARG 72 HE ARG 72 -1.059 11.818 5.509 554 1HH1 ARG 72 1HH2 ARG 72 -4.182 12.955 6.596 555 2HH1 ARG 72 2HH2 ARG 72 -3.649 14.618 6.695 556 1HH2 ARG 72 1HH1 ARG 72 -0.414 13.937 5.675 557 2HH2 ARG 72 2HH1 ARG 72 -1.552 15.163 6.182 558 H VAL 73 H VAL 73 -4.367 5.875 7.628 559 HA VAL 73 HA VAL 73 -6.780 6.829 8.471 560 HB VAL 73 HB VAL 73 -6.095 4.650 9.030 561 1HG1 VAL 73 1HG1 VAL 73 -3.718 4.910 9.348 562 2HG1 VAL 73 2HG1 VAL 73 -4.003 5.813 10.877 563 3HG1 VAL 73 3HG1 VAL 73 -4.443 4.073 10.765 564 1HG2 VAL 73 1HG2 VAL 73 -6.625 6.199 11.569 565 2HG2 VAL 73 2HG2 VAL 73 -7.846 5.513 10.443 566 3HG2 VAL 73 3HG2 VAL 73 -6.776 4.417 11.387 567 H GLN 74 H GLN 74 -6.939 8.996 8.758 568 HA GLN 74 HA GLN 74 -5.384 10.219 10.945 569 1HB GLN 74 1HB GLN 74 -5.454 11.218 8.610 570 2HB GLN 74 2HB GLN 74 -7.103 11.680 8.978 571 1HG GLN 74 1HG GLN 74 -6.063 12.693 11.146 572 2HG GLN 74 2HG GLN 74 -4.559 12.622 10.251 573 1HE2 GLN 74 2HE2 GLN 74 -4.100 14.236 8.814 574 2HE2 GLN 74 1HE2 GLN 74 -5.251 15.449 8.302 575 H GLY 75 H GLY 75 -7.649 8.332 11.248 576 1HA GLY 75 1HA GLY 75 -9.062 8.400 13.220 577 2HA GLY 75 2HA GLY 75 -9.469 10.058 12.825 578 H GLN 76 H GLN 76 -9.350 8.111 10.081 579 HA GLN 76 HA GLN 76 -11.649 6.671 9.882 580 1HB GLN 76 1HB GLN 76 -12.253 9.524 9.831 581 2HB GLN 76 2HB GLN 76 -12.848 8.661 8.428 582 1HG GLN 76 1HG GLN 76 -13.487 6.971 10.507 583 2HG GLN 76 2HG GLN 76 -13.754 8.557 11.201 584 1HE2 GLN 76 2HE2 GLN 76 -15.609 6.334 10.394 585 2HE2 GLN 76 1HE2 GLN 76 -16.753 7.078 9.299 586 H HIS 77 H HIS 77 -11.950 5.851 7.819 587 HA HIS 77 HA HIS 77 -10.715 7.082 5.519 588 1HB HIS 77 1HB HIS 77 -9.318 5.047 6.963 589 2HB HIS 77 2HB HIS 77 -9.691 4.514 5.337 590 HD1 HIS 77 1HD HIS 77 -7.005 4.555 4.956 591 HD2 HIS 77 2HD HIS 77 -8.928 8.241 5.623 592 HE1 HIS 77 1HE HIS 77 -5.322 6.381 4.305 593 HE2 HIS 77 2HE HIS 77 -6.527 8.612 4.636 594 H GLY 78 H GLY 78 -12.346 7.050 4.186 595 1HA GLY 78 1HA GLY 78 -13.506 4.615 3.198 596 2HA GLY 78 2HA GLY 78 -14.622 5.487 4.232 597 HA PRO 79 HA PRO 79 -15.447 8.254 0.840 598 1HB PRO 79 1HB PRO 79 -15.302 10.791 1.900 599 2HB PRO 79 2HB PRO 79 -16.669 9.709 2.075 600 1HG PRO 79 1HG PRO 79 -14.668 10.491 4.073 601 2HG PRO 79 2HG PRO 79 -16.244 9.768 4.318 602 1HD PRO 79 1HD PRO 79 -13.713 8.466 4.405 603 2HD PRO 79 2HD PRO 79 -15.293 7.730 4.575 604 H PHE 80 H PHE 80 -14.442 10.732 0.043 605 HA PHE 80 HA PHE 80 -12.571 11.126 -1.454 606 1HB PHE 80 1HB PHE 80 -12.702 12.505 1.148 607 2HB PHE 80 2HB PHE 80 -11.351 12.857 0.090 608 HD1 PHE 80 1HD PHE 80 -11.722 13.795 -2.173 609 HD2 PHE 80 2HD PHE 80 -14.896 13.309 0.711 610 HE1 PHE 80 1HE PHE 80 -13.091 15.436 -3.413 611 HE2 PHE 80 2HE PHE 80 -16.270 14.940 -0.532 612 HZ PHE 80 HZ PHE 80 -15.378 16.029 -2.595 613 H GLN 81 H GLN 81 -10.988 11.226 1.707 614 HA GLN 81 HA GLN 81 -8.507 10.415 1.240 615 1HB GLN 81 1HB GLN 81 -8.566 9.157 3.366 616 2HB GLN 81 2HB GLN 81 -9.181 10.796 3.433 617 1HG GLN 81 1HG GLN 81 -11.446 9.370 2.903 618 2HG GLN 81 2HG GLN 81 -10.551 8.260 3.922 619 1HE2 GLN 81 2HE2 GLN 81 -12.784 10.687 3.992 620 2HE2 GLN 81 1HE2 GLN 81 -12.496 11.285 5.610 621 H SER 82 H SER 82 -10.609 7.613 2.130 622 HA SER 82 HA SER 82 -9.232 5.648 0.747 623 1HB SER 82 1HB SER 82 -11.749 5.918 2.063 624 2HB SER 82 2HB SER 82 -11.899 4.917 0.633 625 HG SER 82 HG SER 82 -11.324 3.709 2.492 626 H THR 83 H THR 83 -11.938 7.680 -0.569 627 HA THR 83 HA THR 83 -12.270 6.426 -3.014 628 HB THR 83 HB THR 83 -13.032 8.845 -1.955 629 HG1 THR 83 1HG THR 83 -14.328 8.871 -3.836 630 1HG2 THR 83 1HG2 THR 83 -11.200 10.114 -3.086 631 2HG2 THR 83 2HG2 THR 83 -11.740 9.420 -4.653 632 3HG2 THR 83 3HG2 THR 83 -12.826 10.519 -3.735 633 H ARG 84 H ARG 84 -9.432 8.133 -1.982 634 HA ARG 84 HA ARG 84 -8.212 7.813 -4.654 635 1HB ARG 84 1HB ARG 84 -8.500 10.155 -3.307 636 2HB ARG 84 2HB ARG 84 -6.902 9.652 -2.791 637 1HG ARG 84 1HG ARG 84 -6.364 10.695 -4.787 638 2HG ARG 84 2HG ARG 84 -6.634 9.061 -5.360 639 1HD ARG 84 1HD ARG 84 -9.054 9.746 -5.746 640 2HD ARG 84 2HD ARG 84 -8.526 11.397 -5.486 641 HE ARG 84 HE ARG 84 -8.023 9.727 -7.811 642 1HH1 ARG 84 1HH2 ARG 84 -6.950 12.589 -6.094 643 2HH1 ARG 84 2HH2 ARG 84 -6.146 13.239 -7.504 644 1HH2 ARG 84 1HH1 ARG 84 -6.970 10.603 -9.562 645 2HH2 ARG 84 2HH1 ARG 84 -6.158 12.146 -9.412 646 H ILE 85 H ILE 85 -7.503 7.757 -1.204 647 HA ILE 85 HA ILE 85 -4.998 6.726 -1.044 648 HB ILE 85 HB ILE 85 -7.419 6.392 0.634 649 1HG1 ILE 85 1HG1 ILE 85 -6.317 8.489 0.844 650 2HG1 ILE 85 2HG1 ILE 85 -6.063 7.572 2.317 651 1HG2 ILE 85 1HG2 ILE 85 -6.366 4.231 0.898 652 2HG2 ILE 85 2HG2 ILE 85 -4.796 5.030 1.256 653 3HG2 ILE 85 3HG2 ILE 85 -6.178 5.212 2.392 654 1HD1 ILE 85 1HD1 ILE 85 -3.833 6.927 1.559 655 2HD1 ILE 85 2HD1 ILE 85 -4.094 7.866 0.048 656 3HD1 ILE 85 3HD1 ILE 85 -4.022 8.712 1.632 657 H TYR 86 H TYR 86 -7.926 4.984 -1.810 658 HA TYR 86 HA TYR 86 -6.536 2.462 -2.260 659 1HB TYR 86 1HB TYR 86 -9.333 3.457 -2.350 660 2HB TYR 86 2HB TYR 86 -8.924 1.964 -3.171 661 HD1 TYR 86 1HD TYR 86 -9.317 0.055 -2.075 662 HD2 TYR 86 2HD TYR 86 -8.251 3.571 0.183 663 HE1 TYR 86 1HE TYR 86 -9.501 -1.247 0.021 664 HE2 TYR 86 2HE TYR 86 -8.322 2.251 2.288 665 HH TYR 86 HH TYR 86 -8.666 0.239 3.154 666 H GLN 87 H GLN 87 -8.206 4.968 -4.239 667 HA GLN 87 HA GLN 87 -7.927 3.709 -6.719 668 1HB GLN 87 1HB GLN 87 -8.838 6.130 -5.820 669 2HB GLN 87 2HB GLN 87 -7.517 6.555 -6.890 670 1HG GLN 87 1HG GLN 87 -9.644 4.640 -7.724 671 2HG GLN 87 2HG GLN 87 -9.872 6.372 -7.860 672 1HE2 GLN 87 2HE2 GLN 87 -10.090 4.753 -10.081 673 2HE2 GLN 87 1HE2 GLN 87 -8.720 5.041 -11.130 674 H ILE 88 H ILE 88 -5.462 5.160 -4.812 675 HA ILE 88 HA ILE 88 -3.497 5.139 -6.985 676 HB ILE 88 HB ILE 88 -3.618 6.226 -4.204 677 1HG1 ILE 88 1HG1 ILE 88 -2.730 7.655 -6.678 678 2HG1 ILE 88 2HG1 ILE 88 -4.439 7.364 -6.418 679 1HG2 ILE 88 1HG2 ILE 88 -1.403 5.172 -4.423 680 2HG2 ILE 88 2HG2 ILE 88 -1.155 6.056 -5.969 681 3HG2 ILE 88 3HG2 ILE 88 -1.281 6.966 -4.422 682 1HD1 ILE 88 1HD1 ILE 88 -4.335 8.553 -4.256 683 2HD1 ILE 88 2HD1 ILE 88 -2.583 8.851 -4.523 684 3HD1 ILE 88 3HD1 ILE 88 -3.797 9.603 -5.613 685 H ALA 89 H ALA 89 -4.280 3.514 -3.937 686 HA ALA 89 HA ALA 89 -2.050 1.702 -4.132 687 1HB ALA 89 1HB ALA 89 -2.853 2.392 -1.958 688 2HB ALA 89 2HB ALA 89 -4.476 1.715 -2.327 689 3HB ALA 89 3HB ALA 89 -3.063 0.617 -2.157 690 H LYS 90 H LYS 90 -4.524 1.888 -6.129 691 HA LYS 90 HA LYS 90 -5.168 -0.972 -6.320 692 1HB LYS 90 1HB LYS 90 -6.954 -0.346 -7.680 693 2HB LYS 90 2HB LYS 90 -6.910 0.804 -6.360 694 1HG LYS 90 1HG LYS 90 -7.004 2.413 -7.835 695 2HG LYS 90 2HG LYS 90 -5.407 1.946 -8.383 696 1HD LYS 90 1HD LYS 90 -6.234 0.758 -10.180 697 2HD LYS 90 2HD LYS 90 -7.830 0.606 -9.470 698 1HE LYS 90 1HE LYS 90 -7.735 2.242 -11.328 699 2HE LYS 90 2HE LYS 90 -8.267 2.941 -9.812 700 1HZ LYS 90 1HZ LYS 90 -6.058 3.787 -9.482 701 2HZ LYS 90 2HZ LYS 90 -5.555 3.127 -10.917 702 3HZ LYS 90 3HZ LYS 90 -6.682 4.340 -10.913 703 H ASN 91 H ASN 91 -3.494 1.579 -7.984 704 HA ASN 91 HA ASN 91 -2.702 -0.158 -10.172 705 1HB ASN 91 1HB ASN 91 -2.720 2.679 -9.644 706 2HB ASN 91 2HB ASN 91 -1.198 2.148 -10.334 707 1HD2 ASN 91 2HD2 ASN 91 -4.732 1.828 -10.776 708 2HD2 ASN 91 1HD2 ASN 91 -4.665 1.722 -12.521 709 H LEU 92 H LEU 92 -1.818 -0.126 -7.045 710 HA LEU 92 HA LEU 92 1.025 -0.269 -7.239 711 1HB LEU 92 1HB LEU 92 -1.034 -0.733 -5.238 712 2HB LEU 92 2HB LEU 92 0.357 -1.785 -5.070 713 HG LEU 92 HG LEU 92 0.693 1.146 -5.457 714 1HD1 LEU 92 1HD1 LEU 92 -0.866 0.937 -3.591 715 2HD1 LEU 92 2HD1 LEU 92 0.224 -0.258 -2.806 716 3HD1 LEU 92 3HD1 LEU 92 0.752 1.450 -3.002 717 1HD2 LEU 92 1HD2 LEU 92 2.409 -0.963 -4.110 718 2HD2 LEU 92 2HD2 LEU 92 2.688 -0.240 -5.732 719 3HD2 LEU 92 3HD2 LEU 92 2.820 0.781 -4.258 720 HA PRO 93 HA PRO 93 0.600 -4.967 -7.579 721 1HB PRO 93 1HB PRO 93 -1.882 -6.093 -7.818 722 2HB PRO 93 2HB PRO 93 -1.019 -5.903 -6.305 723 1HG PRO 93 1HG PRO 93 -3.364 -4.441 -7.294 724 2HG PRO 93 2HG PRO 93 -2.781 -4.615 -5.651 725 1HD PRO 93 1HD PRO 93 -2.408 -2.402 -7.385 726 2HD PRO 93 2HD PRO 93 -1.741 -2.619 -5.780 727 H ASN 94 H ASN 94 -0.890 -2.696 -9.547 728 HA ASN 94 HA ASN 94 -1.129 -4.422 -11.908 729 1HB ASN 94 1HB ASN 94 -1.528 -1.471 -11.503 730 2HB ASN 94 2HB ASN 94 -1.836 -2.330 -12.998 731 1HD2 ASN 94 2HD2 ASN 94 -3.821 -0.848 -11.915 732 2HD2 ASN 94 1HD2 ASN 94 -5.049 -1.885 -11.224 733 H VAL 95 H VAL 95 1.025 -2.083 -10.469 734 HA VAL 95 HA VAL 95 2.791 -2.130 -12.846 735 HB VAL 95 HB VAL 95 2.860 -0.110 -10.640 736 1HG1 VAL 95 1HG1 VAL 95 4.896 -0.266 -12.001 737 2HG1 VAL 95 2HG1 VAL 95 3.908 -0.078 -13.491 738 3HG1 VAL 95 3HG1 VAL 95 4.032 1.279 -12.317 739 1HG2 VAL 95 1HG2 VAL 95 1.394 0.144 -13.292 740 2HG2 VAL 95 2HG2 VAL 95 0.622 0.044 -11.671 741 3HG2 VAL 95 3HG2 VAL 95 1.643 1.463 -12.096 742 H CYS 96 H CYS 96 2.457 -3.194 -9.687 743 HA CYS 96 HA CYS 96 5.237 -4.132 -9.545 744 1HB CYS 96 1HB CYS 96 3.713 -2.573 -7.597 745 2HB CYS 96 2HB CYS 96 4.489 -3.996 -6.933 746 H ASN 97 H ASN 97 2.921 -5.423 -10.787 747 HA ASN 97 HA ASN 97 1.432 -7.266 -9.699 748 1HB ASN 97 1HB ASN 97 3.491 -7.646 -11.788 749 2HB ASN 97 2HB ASN 97 2.645 -9.059 -11.186 750 1HD2 ASN 97 2HD2 ASN 97 2.232 -5.900 -12.697 751 2HD2 ASN 97 1HD2 ASN 97 0.644 -6.230 -13.350 752 H MET 98 H MET 98 1.422 -8.344 -7.887 753 HA MET 98 HA MET 98 3.815 -9.803 -7.055 754 1HB MET 98 1HB MET 98 3.570 -8.849 -4.756 755 2HB MET 98 2HB MET 98 4.252 -7.810 -5.992 756 1HG MET 98 1HG MET 98 1.577 -7.238 -6.119 757 2HG MET 98 2HG MET 98 1.839 -7.494 -4.406 758 1HE MET 98 1HE MET 98 0.732 -4.842 -4.600 759 2HE MET 98 2HE MET 98 1.684 -5.334 -3.157 760 3HE MET 98 3HE MET 98 1.987 -3.741 -3.936 761 H LYS 99 H LYS 99 1.276 -10.603 -8.097 762 HA LYS 99 HA LYS 99 0.495 -12.544 -6.159 763 1HB LYS 99 1HB LYS 99 -1.740 -11.900 -5.747 764 2HB LYS 99 2HB LYS 99 -0.659 -10.629 -5.215 765 1HG LYS 99 1HG LYS 99 -2.204 -10.492 -7.771 766 2HG LYS 99 2HG LYS 99 -2.814 -9.892 -6.242 767 1HD LYS 99 1HD LYS 99 -1.675 -8.005 -6.450 768 2HD LYS 99 2HD LYS 99 -0.182 -8.873 -6.746 769 1HE LYS 99 1HE LYS 99 -2.240 -8.001 -8.750 770 2HE LYS 99 2HE LYS 99 -0.567 -7.491 -8.636 771 1HZ LYS 99 1HZ LYS 99 0.095 -9.669 -9.328 772 2HZ LYS 99 2HZ LYS 99 -1.485 -10.151 -9.435 773 3HZ LYS 99 3HZ LYS 99 -0.907 -8.976 -10.449 774 H GLN 100 H GLN 100 1.561 -12.839 -8.637 775 HA GLN 100 HA GLN 100 0.021 -12.846 -10.871 776 1HB GLN 100 1HB GLN 100 2.356 -13.770 -10.487 777 2HB GLN 100 2HB GLN 100 1.568 -15.289 -10.109 778 1HG GLN 100 1HG GLN 100 0.512 -14.123 -12.545 779 2HG GLN 100 2HG GLN 100 2.243 -14.360 -12.649 780 1HE2 GLN 100 2HE2 GLN 100 3.105 -16.467 -12.615 781 2HE2 GLN 100 1HE2 GLN 100 2.090 -17.885 -12.756 782 H ILE 101 H ILE 101 -0.307 -15.199 -8.251 783 HA ILE 101 HA ILE 101 -2.335 -16.815 -9.184 784 HB ILE 101 HB ILE 101 -1.114 -17.113 -7.128 785 1HG1 ILE 101 1HG1 ILE 101 -3.176 -17.758 -5.721 786 2HG1 ILE 101 2HG1 ILE 101 -4.087 -17.201 -7.112 787 1HG2 ILE 101 1HG2 ILE 101 -1.056 -14.864 -6.174 788 2HG2 ILE 101 2HG2 ILE 101 -2.834 -14.929 -5.916 789 3HG2 ILE 101 3HG2 ILE 101 -1.752 -16.042 -5.007 790 1HD1 ILE 101 1HD1 ILE 101 -2.860 -18.773 -8.575 791 2HD1 ILE 101 2HD1 ILE 101 -1.924 -19.345 -7.151 792 3HD1 ILE 101 3HD1 ILE 101 -3.697 -19.637 -7.240 793 H GLY 102 H GLY 102 -2.945 -13.841 -7.290 794 1HA GLY 102 1HA GLY 102 -4.576 -12.248 -8.320 795 2HA GLY 102 2HA GLY 102 -5.636 -13.628 -8.517 796 H THR 103 H THR 103 -3.837 -11.776 -6.075 797 HA THR 103 HA THR 103 -5.346 -12.912 -3.889 798 HB THR 103 HB THR 103 -3.485 -10.560 -3.880 799 HG1 THR 103 1HG THR 103 -1.986 -12.185 -3.282 800 1HG2 THR 103 1HG2 THR 103 -4.848 -10.876 -1.825 801 2HG2 THR 103 2HG2 THR 103 -4.271 -12.579 -1.761 802 3HG2 THR 103 3HG2 THR 103 -3.104 -11.224 -1.563 803 H CYS 104 H CYS 104 -4.941 -9.403 -4.413 804 HA CYS 104 HA CYS 104 -7.888 -9.125 -4.363 805 1HB CYS 104 1HB CYS 104 -7.717 -7.116 -3.135 806 2HB CYS 104 2HB CYS 104 -6.758 -8.319 -2.298 807 HA PRO 105 HA PRO 105 -6.271 -7.442 -8.335 808 1HB PRO 105 1HB PRO 105 -7.929 -8.820 -10.030 809 2HB PRO 105 2HB PRO 105 -6.326 -9.349 -9.567 810 1HG PRO 105 1HG PRO 105 -8.945 -10.376 -8.684 811 2HG PRO 105 2HG PRO 105 -7.382 -11.166 -8.642 812 1HD PRO 105 1HD PRO 105 -8.733 -9.929 -6.476 813 2HD PRO 105 2HD PRO 105 -7.116 -10.602 -6.467 814 H PHE 106 H PHE 106 -7.834 -6.128 -6.546 815 HA PHE 106 HA PHE 106 -10.326 -5.222 -7.694 816 1HB PHE 106 1HB PHE 106 -10.612 -4.205 -5.696 817 2HB PHE 106 2HB PHE 106 -9.337 -5.298 -5.195 818 HD1 PHE 106 1HD PHE 106 -7.000 -4.442 -4.825 819 HD2 PHE 106 2HD PHE 106 -10.207 -1.831 -6.022 820 HE1 PHE 106 1HE PHE 106 -5.653 -2.478 -4.172 821 HE2 PHE 106 2HE PHE 106 -8.848 0.127 -5.409 822 HZ PHE 106 HZ PHE 106 -6.631 -0.184 -4.292 823 H ILE 107 H ILE 107 -10.714 -3.013 -8.213 824 HA ILE 107 HA ILE 107 -8.875 -1.014 -8.734 825 HB ILE 107 HB ILE 107 -9.009 -1.358 -11.355 826 1HG1 ILE 107 1HG1 ILE 107 -8.268 -4.141 -10.731 827 2HG1 ILE 107 2HG1 ILE 107 -9.976 -3.748 -10.770 828 1HG2 ILE 107 1HG2 ILE 107 -6.970 -0.777 -10.198 829 2HG2 ILE 107 2HG2 ILE 107 -6.800 -2.469 -9.615 830 3HG2 ILE 107 3HG2 ILE 107 -6.661 -2.104 -11.369 831 1HD1 ILE 107 1HD1 ILE 107 -9.751 -2.905 -13.065 832 2HD1 ILE 107 2HD1 ILE 107 -8.000 -3.308 -13.023 833 3HD1 ILE 107 3HD1 ILE 107 -9.226 -4.619 -12.930 834 H ALA 108 H ALA 108 -11.706 -2.660 -10.045 835 HA ALA 108 HA ALA 108 -13.055 -0.326 -11.007 836 1HB ALA 108 1HB ALA 108 -13.471 -2.529 -11.969 837 2HB ALA 108 2HB ALA 108 -14.052 -3.125 -10.375 838 3HB ALA 108 3HB ALA 108 -14.985 -1.869 -11.260 839 H ILE 109 H ILE 109 -12.239 0.590 -8.734 840 HA ILE 109 HA ILE 109 -14.207 0.333 -6.634 841 HB ILE 109 HB ILE 109 -12.888 1.899 -5.436 842 1HG1 ILE 109 1HG1 ILE 109 -10.847 2.268 -7.533 843 2HG1 ILE 109 2HG1 ILE 109 -12.321 3.200 -7.695 844 1HG2 ILE 109 1HG2 ILE 109 -12.101 -0.398 -5.446 845 2HG2 ILE 109 2HG2 ILE 109 -11.146 -0.070 -6.932 846 3HG2 ILE 109 3HG2 ILE 109 -10.712 0.743 -5.389 847 1HD1 ILE 109 1HD1 ILE 109 -12.039 4.085 -5.401 848 2HD1 ILE 109 2HD1 ILE 109 -10.526 3.129 -5.237 849 3HD1 ILE 109 3HD1 ILE 109 -10.616 4.469 -6.432 Start of MODEL 13 1 1H GLN 1 1H GLN 1 -5.084 -22.132 0.376 2 2H GLN 1 2H GLN 1 -5.805 -20.642 0.336 3 3H GLN 1 3H GLN 1 -5.080 -21.245 -1.024 4 HA GLN 1 HA GLN 1 -2.962 -21.184 0.031 5 1HB GLN 1 1HB GLN 1 -4.549 -18.891 -0.670 6 2HB GLN 1 2HB GLN 1 -3.339 -18.483 0.528 7 1HG GLN 1 1HG GLN 1 -1.576 -19.055 -0.861 8 2HG GLN 1 2HG GLN 1 -2.552 -20.156 -1.815 9 1HE2 GLN 1 2HE2 GLN 1 -1.566 -19.105 -3.655 10 2HE2 GLN 1 1HE2 GLN 1 -2.249 -17.604 -4.236 11 HA PRO 2 HA PRO 2 -2.734 -21.001 4.353 12 1HB PRO 2 1HB PRO 2 -0.296 -19.777 4.776 13 2HB PRO 2 2HB PRO 2 -0.519 -21.473 4.390 14 1HG PRO 2 1HG PRO 2 0.471 -19.300 2.668 15 2HG PRO 2 2HG PRO 2 0.643 -21.030 2.461 16 1HD PRO 2 1HD PRO 2 -1.175 -19.321 1.108 17 2HD PRO 2 2HD PRO 2 -1.100 -21.070 1.011 18 H GLN 3 H GLN 3 -4.247 -19.767 5.289 19 HA GLN 3 HA GLN 3 -4.410 -16.945 4.913 20 1HB GLN 3 1HB GLN 3 -6.082 -18.817 5.953 21 2HB GLN 3 2HB GLN 3 -5.505 -18.033 7.411 22 1HG GLN 3 1HG GLN 3 -7.056 -16.457 7.021 23 2HG GLN 3 2HG GLN 3 -6.022 -15.915 5.714 24 1HE2 GLN 3 2HE2 GLN 3 -8.588 -15.299 5.445 25 2HE2 GLN 3 1HE2 GLN 3 -9.367 -16.315 4.254 26 H LYS 4 H LYS 4 -2.718 -18.981 7.257 27 HA LYS 4 HA LYS 4 -2.159 -17.304 9.330 28 1HB LYS 4 1HB LYS 4 -1.149 -19.666 8.437 29 2HB LYS 4 2HB LYS 4 0.235 -18.603 8.284 30 1HG LYS 4 1HG LYS 4 -1.386 -18.553 10.796 31 2HG LYS 4 2HG LYS 4 -0.215 -19.834 10.554 32 1HD LYS 4 1HD LYS 4 1.366 -17.796 9.938 33 2HD LYS 4 2HD LYS 4 0.233 -16.915 10.944 34 1HE LYS 4 1HE LYS 4 0.710 -18.256 12.837 35 2HE LYS 4 2HE LYS 4 1.511 -19.476 11.868 36 1HZ LYS 4 1HZ LYS 4 3.236 -17.894 11.389 37 2HZ LYS 4 2HZ LYS 4 2.479 -16.741 12.305 38 3HZ LYS 4 3HZ LYS 4 3.086 -18.103 13.024 39 H CYS 5 H CYS 5 -0.659 -17.155 6.094 40 HA CYS 5 HA CYS 5 1.198 -15.148 6.470 41 1HB CYS 5 1HB CYS 5 0.244 -16.397 4.345 42 2HB CYS 5 2HB CYS 5 -0.592 -14.869 4.161 43 H GLN 6 H GLN 6 -2.290 -14.617 5.772 44 HA GLN 6 HA GLN 6 -2.379 -11.884 6.051 45 1HB GLN 6 1HB GLN 6 -4.261 -14.050 6.268 46 2HB GLN 6 2HB GLN 6 -4.658 -12.729 7.349 47 1HG GLN 6 1HG GLN 6 -3.886 -11.674 4.824 48 2HG GLN 6 2HG GLN 6 -5.117 -12.897 4.587 49 1HE2 GLN 6 2HE2 GLN 6 -7.062 -12.757 5.925 50 2HE2 GLN 6 1HE2 GLN 6 -7.683 -11.164 6.300 51 H ARG 7 H ARG 7 -2.476 -14.244 8.686 52 HA ARG 7 HA ARG 7 -2.372 -12.207 10.724 53 1HB ARG 7 1HB ARG 7 -2.469 -15.147 10.613 54 2HB ARG 7 2HB ARG 7 -1.688 -14.455 12.019 55 1HG ARG 7 1HG ARG 7 -3.619 -13.261 12.646 56 2HG ARG 7 2HG ARG 7 -4.349 -13.448 11.064 57 1HD ARG 7 1HD ARG 7 -4.862 -15.705 11.438 58 2HD ARG 7 2HD ARG 7 -3.727 -15.835 12.766 59 HE ARG 7 HE ARG 7 -5.585 -13.939 13.574 60 1HH1 ARG 7 1HH2 ARG 7 -5.709 -17.307 12.649 61 2HH1 ARG 7 2HH2 ARG 7 -7.097 -17.640 13.660 62 1HH2 ARG 7 1HH1 ARG 7 -7.357 -14.398 14.858 63 2HH2 ARG 7 2HH1 ARG 7 -8.016 -16.018 14.891 64 H GLU 8 H GLU 8 -0.088 -12.564 8.634 65 HA GLU 8 HA GLU 8 2.162 -12.640 10.536 66 1HB GLU 8 1HB GLU 8 1.793 -13.996 8.058 67 2HB GLU 8 2HB GLU 8 3.147 -12.892 7.932 68 1HG GLU 8 1HG GLU 8 3.549 -14.033 10.390 69 2HG GLU 8 2HG GLU 8 2.895 -15.367 9.458 70 H PHE 9 H PHE 9 0.414 -10.834 8.179 71 HA PHE 9 HA PHE 9 2.478 -8.855 7.718 72 1HB PHE 9 1HB PHE 9 0.966 -9.019 5.973 73 2HB PHE 9 2HB PHE 9 -0.391 -9.292 7.046 74 HD1 PHE 9 1HD PHE 9 -1.397 -7.328 8.293 75 HD2 PHE 9 2HD PHE 9 1.406 -6.885 5.089 76 HE1 PHE 9 1HE PHE 9 -1.868 -4.908 8.241 77 HE2 PHE 9 2HE PHE 9 0.655 -4.533 4.807 78 HZ PHE 9 HZ PHE 9 -0.857 -3.490 6.463 79 H GLN 10 H GLN 10 -0.526 -9.120 9.643 80 HA GLN 10 HA GLN 10 0.020 -6.507 10.833 81 1HB GLN 10 1HB GLN 10 -2.324 -7.727 10.130 82 2HB GLN 10 2HB GLN 10 -2.271 -7.980 11.863 83 1HG GLN 10 1HG GLN 10 -1.474 -5.326 11.491 84 2HG GLN 10 2HG GLN 10 -2.817 -5.555 10.390 85 1HE2 GLN 10 2HE2 GLN 10 -1.836 -5.177 13.664 86 2HE2 GLN 10 1HE2 GLN 10 -3.425 -5.291 14.389 87 H GLN 11 H GLN 11 0.646 -9.769 11.400 88 HA GLN 11 HA GLN 11 0.425 -10.207 14.077 89 1HB GLN 11 1HB GLN 11 1.644 -11.492 12.052 90 2HB GLN 11 2HB GLN 11 3.036 -10.941 12.963 91 1HG GLN 11 1HG GLN 11 1.039 -11.960 14.754 92 2HG GLN 11 2HG GLN 11 1.388 -13.152 13.518 93 1HE2 GLN 11 2HE2 GLN 11 1.918 -13.720 16.122 94 2HE2 GLN 11 1HE2 GLN 11 3.653 -13.815 16.331 95 H GLU 12 H GLU 12 3.131 -8.564 12.459 96 HA GLU 12 HA GLU 12 3.578 -6.655 14.422 97 1HB GLU 12 1HB GLU 12 5.796 -7.748 15.325 98 2HB GLU 12 2HB GLU 12 4.256 -7.959 16.136 99 1HG GLU 12 1HG GLU 12 4.038 -10.147 15.453 100 2HG GLU 12 2HG GLU 12 5.059 -9.919 14.047 101 H GLN 13 H GLN 13 3.580 -6.784 11.666 102 HA GLN 13 HA GLN 13 5.946 -5.374 11.050 103 1HB GLN 13 1HB GLN 13 6.622 -7.977 11.153 104 2HB GLN 13 2HB GLN 13 6.070 -7.884 9.494 105 1HG GLN 13 1HG GLN 13 7.538 -5.716 9.437 106 2HG GLN 13 2HG GLN 13 8.336 -6.457 10.809 107 1HE2 GLN 13 2HE2 GLN 13 10.000 -7.759 10.376 108 2HE2 GLN 13 1HE2 GLN 13 10.306 -8.521 8.832 109 H HIS 14 H HIS 14 3.709 -4.384 10.628 110 HA HIS 14 HA HIS 14 2.233 -5.234 8.336 111 1HB HIS 14 1HB HIS 14 2.250 -2.405 9.240 112 2HB HIS 14 2HB HIS 14 0.917 -3.370 8.642 113 HD1 HIS 14 1HD HIS 14 0.466 -1.709 11.179 114 HD2 HIS 14 2HD HIS 14 1.930 -5.656 11.145 115 HE1 HIS 14 1HE HIS 14 -0.044 -2.710 13.495 116 HE2 HIS 14 2HE HIS 14 0.821 -5.136 13.451 117 H LEU 15 H LEU 15 2.103 -2.559 7.058 118 HA LEU 15 HA LEU 15 4.663 -2.812 5.577 119 1HB LEU 15 1HB LEU 15 1.881 -2.382 4.629 120 2HB LEU 15 2HB LEU 15 3.249 -1.870 3.661 121 HG LEU 15 HG LEU 15 2.079 -4.202 3.337 122 1HD1 LEU 15 1HD1 LEU 15 3.836 -3.312 1.943 123 2HD1 LEU 15 2HD1 LEU 15 5.053 -3.755 3.189 124 3HD1 LEU 15 3HD1 LEU 15 4.139 -5.042 2.328 125 1HD2 LEU 15 1HD2 LEU 15 4.248 -4.839 5.336 126 2HD2 LEU 15 2HD2 LEU 15 2.481 -5.069 5.573 127 3HD2 LEU 15 3HD2 LEU 15 3.352 -6.030 4.330 128 H ARG 16 H ARG 16 5.185 -0.734 4.339 129 HA ARG 16 HA ARG 16 4.283 1.679 5.702 130 1HB ARG 16 1HB ARG 16 7.010 0.564 6.109 131 2HB ARG 16 2HB ARG 16 6.780 2.299 6.022 132 1HG ARG 16 1HG ARG 16 5.210 2.227 7.856 133 2HG ARG 16 2HG ARG 16 5.281 0.477 7.890 134 1HD ARG 16 1HD ARG 16 7.574 0.521 8.573 135 2HD ARG 16 2HD ARG 16 7.656 2.256 8.349 136 HE ARG 16 HE ARG 16 5.663 2.056 10.162 137 1HH1 ARG 16 1HH2 ARG 16 8.850 0.607 10.089 138 2HH1 ARG 16 2HH2 ARG 16 8.968 0.540 11.833 139 1HH2 ARG 16 1HH1 ARG 16 5.851 1.946 12.389 140 2HH2 ARG 16 2HH1 ARG 16 7.301 1.284 13.112 141 H ALA 17 H ALA 17 7.329 0.901 3.967 142 HA ALA 17 HA ALA 17 7.217 2.859 2.095 143 1HB ALA 17 1HB ALA 17 9.136 1.444 2.371 144 2HB ALA 17 2HB ALA 17 8.220 0.035 1.735 145 3HB ALA 17 3HB ALA 17 8.609 1.419 0.653 146 H CYS 18 H CYS 18 4.834 0.490 2.286 147 HA CYS 18 HA CYS 18 3.935 0.878 -0.475 148 1HB CYS 18 1HB CYS 18 3.094 -1.092 1.610 149 2HB CYS 18 2HB CYS 18 2.491 -1.008 -0.032 150 H GLN 19 H GLN 19 3.016 1.128 2.946 151 HA GLN 19 HA GLN 19 0.692 2.709 2.128 152 1HB GLN 19 1HB GLN 19 -0.053 2.414 4.372 153 2HB GLN 19 2HB GLN 19 0.315 0.886 3.598 154 1HG GLN 19 1HG GLN 19 2.142 0.500 4.925 155 2HG GLN 19 2HG GLN 19 2.357 2.197 5.302 156 1HE2 GLN 19 2HE2 GLN 19 0.056 3.071 6.289 157 2HE2 GLN 19 1HE2 GLN 19 -0.478 2.142 7.670 158 H GLN 20 H GLN 20 3.277 3.880 1.846 159 HA GLN 20 HA GLN 20 2.978 6.166 3.646 160 1HB GLN 20 1HB GLN 20 5.223 6.245 4.348 161 2HB GLN 20 2HB GLN 20 4.681 4.612 4.677 162 1HG GLN 20 1HG GLN 20 6.597 4.059 3.641 163 2HG GLN 20 2HG GLN 20 5.624 4.277 2.200 164 1HE2 GLN 20 2HE2 GLN 20 8.577 4.645 2.976 165 2HE2 GLN 20 1HE2 GLN 20 8.957 6.218 2.312 166 H TRP 21 H TRP 21 4.354 4.622 0.760 167 HA TRP 21 HA TRP 21 5.543 6.957 -0.326 168 1HB TRP 21 1HB TRP 21 5.536 5.780 -2.383 169 2HB TRP 21 2HB TRP 21 5.882 4.632 -1.107 170 HD1 TRP 21 HD TRP 21 3.995 2.801 -0.589 171 HE1 TRP 21 1HE TRP 21 2.151 1.788 -2.055 172 HE3 TRP 21 3HE TRP 21 3.808 6.446 -4.062 173 HZ2 TRP 21 2HZ TRP 21 0.621 2.596 -4.337 174 HZ3 TRP 21 3HZ TRP 21 2.068 6.374 -5.827 175 HH2 TRP 21 HH TRP 21 0.561 4.422 -6.017 176 H ILE 22 H ILE 22 2.257 5.597 -0.467 177 HA ILE 22 HA ILE 22 1.178 7.477 -2.290 178 HB ILE 22 HB ILE 22 -0.201 6.095 -0.001 179 1HG1 ILE 22 1HG1 ILE 22 0.470 5.175 -2.765 180 2HG1 ILE 22 2HG1 ILE 22 0.890 4.415 -1.244 181 1HG2 ILE 22 1HG2 ILE 22 -1.516 7.904 -1.007 182 2HG2 ILE 22 2HG2 ILE 22 -1.241 7.188 -2.633 183 3HG2 ILE 22 3HG2 ILE 22 -2.215 6.298 -1.412 184 1HD1 ILE 22 1HD1 ILE 22 -1.470 3.849 -0.848 185 2HD1 ILE 22 2HD1 ILE 22 -1.901 4.630 -2.410 186 3HD1 ILE 22 3HD1 ILE 22 -0.869 3.157 -2.395 187 H ARG 23 H ARG 23 2.115 7.753 1.023 188 HA ARG 23 HA ARG 23 0.713 10.197 1.584 189 1HB ARG 23 1HB ARG 23 3.141 9.234 3.034 190 2HB ARG 23 2HB ARG 23 1.793 10.169 3.650 191 1HG ARG 23 1HG ARG 23 1.623 7.295 2.749 192 2HG ARG 23 2HG ARG 23 1.737 7.815 4.418 193 1HD ARG 23 1HD ARG 23 -0.412 8.984 2.734 194 2HD ARG 23 2HD ARG 23 -0.605 7.334 3.293 195 HE ARG 23 HE ARG 23 -0.726 8.062 5.497 196 1HH1 ARG 23 1HH2 ARG 23 -0.077 10.760 3.432 197 2HH1 ARG 23 2HH2 ARG 23 -0.490 11.927 4.667 198 1HH2 ARG 23 1HH1 ARG 23 -1.270 9.604 7.054 199 2HH2 ARG 23 2HH1 ARG 23 -1.139 11.300 6.644 200 H GLN 24 H GLN 24 3.301 9.566 -0.385 201 HA GLN 24 HA GLN 24 4.726 12.049 0.075 202 1HB GLN 24 1HB GLN 24 5.465 9.588 -0.895 203 2HB GLN 24 2HB GLN 24 5.353 10.564 -2.346 204 1HG GLN 24 1HG GLN 24 6.573 12.057 -0.224 205 2HG GLN 24 2HG GLN 24 7.423 10.544 -0.464 206 1HE2 GLN 24 2HE2 GLN 24 9.030 12.465 -0.926 207 2HE2 GLN 24 1HE2 GLN 24 9.208 12.832 -2.627 208 H GLN 25 H GLN 25 2.105 10.885 -1.836 209 HA GLN 25 HA GLN 25 2.329 12.890 -3.883 210 1HB GLN 25 1HB GLN 25 0.830 10.574 -3.460 211 2HB GLN 25 2HB GLN 25 -0.334 11.879 -3.560 212 1HG GLN 25 1HG GLN 25 1.828 12.030 -5.538 213 2HG GLN 25 2HG GLN 25 0.790 10.629 -5.714 214 1HE2 GLN 25 2HE2 GLN 25 0.548 11.934 -7.835 215 2HE2 GLN 25 1HE2 GLN 25 -0.844 12.994 -7.879 216 H LEU 26 H LEU 26 1.852 13.330 -0.734 217 HA LEU 26 HA LEU 26 0.068 15.631 -1.121 218 1HB LEU 26 1HB LEU 26 -0.127 14.731 1.544 219 2HB LEU 26 2HB LEU 26 -1.386 14.866 0.334 220 HG LEU 26 HG LEU 26 0.316 12.459 0.310 221 1HD1 LEU 26 1HD1 LEU 26 -0.134 12.712 2.666 222 2HD1 LEU 26 2HD1 LEU 26 -1.885 12.919 2.318 223 3HD1 LEU 26 3HD1 LEU 26 -1.081 11.344 1.986 224 1HD2 LEU 26 1HD2 LEU 26 -2.638 12.889 -0.180 225 2HD2 LEU 26 2HD2 LEU 26 -1.362 12.714 -1.435 226 3HD2 LEU 26 3HD2 LEU 26 -1.759 11.330 -0.359 227 H ALA 27 H ALA 27 0.527 17.447 0.117 228 HA ALA 27 HA ALA 27 3.350 17.652 0.845 229 1HB ALA 27 1HB ALA 27 2.378 19.349 -0.616 230 2HB ALA 27 2HB ALA 27 1.145 19.728 0.638 231 3HB ALA 27 3HB ALA 27 2.882 20.084 0.946 232 H GLY 28 H GLY 28 1.938 15.933 2.528 233 1HA GLY 28 1HA GLY 28 1.823 17.498 5.048 234 2HA GLY 28 2HA GLY 28 0.825 16.093 4.728 235 H SER 29 H SER 29 4.227 16.327 3.800 236 HA SER 29 HA SER 29 5.005 14.609 6.055 237 1HB SER 29 1HB SER 29 4.280 13.200 4.064 238 2HB SER 29 2HB SER 29 5.726 13.796 3.272 239 HG SER 29 HG SER 29 6.089 11.820 4.388 240 HA PRO 30 HA PRO 30 8.143 17.745 5.217 241 1HB PRO 30 1HB PRO 30 8.868 18.093 7.860 242 2HB PRO 30 2HB PRO 30 7.655 19.043 7.025 243 1HG PRO 30 1HG PRO 30 7.283 16.946 9.052 244 2HG PRO 30 2HG PRO 30 6.151 18.171 8.517 245 1HD PRO 30 1HD PRO 30 6.186 15.419 7.786 246 2HD PRO 30 2HD PRO 30 5.113 16.664 7.178 247 H PHE 31 H PHE 31 10.492 17.871 6.145 248 HA PHE 31 HA PHE 31 11.577 15.176 6.647 249 1HB PHE 31 1HB PHE 31 12.762 16.854 4.485 250 2HB PHE 31 2HB PHE 31 12.916 15.130 4.751 251 HD1 PHE 31 1HD PHE 31 11.127 13.570 4.069 252 HD2 PHE 31 2HD PHE 31 10.904 17.798 3.244 253 HE1 PHE 31 1HE PHE 31 9.315 13.152 2.410 254 HE2 PHE 31 2HE PHE 31 9.089 17.379 1.587 255 HZ PHE 31 HZ PHE 31 8.327 15.052 1.141 256 H SER 32 H SER 32 13.691 15.176 7.503 257 HA SER 32 HA SER 32 15.296 17.493 7.759 258 1HB SER 32 1HB SER 32 13.170 17.788 9.402 259 2HB SER 32 2HB SER 32 14.278 16.946 10.466 260 HG SER 32 HG SER 32 14.559 19.231 10.541 261 H GLU 33 H GLU 33 15.704 14.847 7.035 262 HA GLU 33 HA GLU 33 17.946 14.186 8.643 263 1HB GLU 33 1HB GLU 33 15.602 13.307 9.817 264 2HB GLU 33 2HB GLU 33 16.196 11.891 8.975 265 1HG GLU 33 1HG GLU 33 18.470 12.415 10.021 266 2HG GLU 33 2HG GLU 33 17.614 13.534 11.062 267 H ASN 34 H ASN 34 18.267 11.502 8.160 268 HA ASN 34 HA ASN 34 19.076 11.263 5.555 269 1HB ASN 34 1HB ASN 34 18.534 9.454 7.739 270 2HB ASN 34 2HB ASN 34 18.156 8.715 6.196 271 1HD2 ASN 34 2HD2 ASN 34 19.790 8.542 4.589 272 2HD2 ASN 34 1HD2 ASN 34 21.483 8.594 5.028 273 H GLN 35 H GLN 35 18.270 10.031 3.733 274 HA GLN 35 HA GLN 35 15.780 10.880 2.831 275 1HB GLN 35 1HB GLN 35 15.976 9.081 1.139 276 2HB GLN 35 2HB GLN 35 17.403 10.086 1.287 277 1HG GLN 35 1HG GLN 35 17.745 7.963 3.103 278 2HG GLN 35 2HG GLN 35 17.152 7.244 1.619 279 1HE2 GLN 35 2HE2 GLN 35 19.136 6.182 1.291 280 2HE2 GLN 35 1HE2 GLN 35 20.550 7.053 0.744 281 H TRP 36 H TRP 36 13.802 10.527 3.542 282 HA TRP 36 HA TRP 36 13.160 8.409 5.328 283 1HB TRP 36 1HB TRP 36 11.889 10.473 5.211 284 2HB TRP 36 2HB TRP 36 11.373 10.076 3.584 285 HD1 TRP 36 HD TRP 36 9.548 8.026 3.362 286 HE1 TRP 36 1HE TRP 36 7.814 7.115 5.031 287 HE3 TRP 36 3HE TRP 36 11.416 10.113 7.609 288 HZ2 TRP 36 2HZ TRP 36 7.289 7.295 7.848 289 HZ3 TRP 36 3HZ TRP 36 10.273 9.748 9.784 290 HH2 TRP 36 HH TRP 36 8.224 8.353 9.910 291 H GLY 37 H GLY 37 13.463 8.561 1.895 292 1HA GLY 37 1HA GLY 37 13.689 6.131 1.051 293 2HA GLY 37 2HA GLY 37 12.004 6.023 1.524 294 HA PRO 38 HA PRO 38 10.802 8.026 -2.163 295 1HB PRO 38 1HB PRO 38 9.157 10.101 -1.450 296 2HB PRO 38 2HB PRO 38 8.682 8.416 -1.473 297 1HG PRO 38 1HG PRO 38 9.196 10.159 0.844 298 2HG PRO 38 2HG PRO 38 8.318 8.644 0.780 299 1HD PRO 38 1HD PRO 38 10.981 9.046 1.675 300 2HD PRO 38 2HD PRO 38 10.143 7.517 1.493 301 H GLN 39 H GLN 39 13.234 8.707 -2.048 302 HA GLN 39 HA GLN 39 14.205 11.197 -1.517 303 1HB GLN 39 1HB GLN 39 14.782 9.251 -3.696 304 2HB GLN 39 2HB GLN 39 15.585 10.810 -3.695 305 1HG GLN 39 1HG GLN 39 16.605 10.395 -1.602 306 2HG GLN 39 2HG GLN 39 15.559 9.026 -1.279 307 1HE2 GLN 39 2HE2 GLN 39 16.153 7.018 -1.929 308 2HE2 GLN 39 1HE2 GLN 39 17.579 6.675 -2.885 309 H GLN 40 H GLN 40 12.759 10.239 -4.640 310 HA GLN 40 HA GLN 40 12.031 13.087 -5.004 311 1HB GLN 40 1HB GLN 40 12.589 11.008 -7.097 312 2HB GLN 40 2HB GLN 40 12.120 12.666 -7.411 313 1HG GLN 40 1HG GLN 40 14.294 12.782 -5.624 314 2HG GLN 40 2HG GLN 40 14.727 11.607 -6.850 315 1HE2 GLN 40 2HE2 GLN 40 16.377 12.976 -7.624 316 2HE2 GLN 40 1HE2 GLN 40 15.999 14.376 -8.601 317 H GLY 41 H GLY 41 10.756 10.155 -4.166 318 1HA GLY 41 1HA GLY 41 8.325 10.021 -3.880 319 2HA GLY 41 2HA GLY 41 8.162 10.713 -5.483 320 HA PRO 42 HA PRO 42 8.482 6.695 -7.252 321 1HB PRO 42 1HB PRO 42 10.655 6.619 -8.940 322 2HB PRO 42 2HB PRO 42 9.113 7.355 -9.333 323 1HG PRO 42 1HG PRO 42 11.670 8.659 -8.690 324 2HG PRO 42 2HG PRO 42 10.263 9.330 -9.489 325 1HD PRO 42 1HD PRO 42 11.038 9.676 -6.781 326 2HD PRO 42 2HD PRO 42 9.584 10.271 -7.557 327 H SER 43 H SER 43 10.829 7.622 -5.110 328 HA SER 43 HA SER 43 12.338 5.121 -5.172 329 1HB SER 43 1HB SER 43 12.530 7.468 -3.314 330 2HB SER 43 2HB SER 43 13.654 6.127 -3.408 331 HG SER 43 HG SER 43 14.376 7.960 -4.576 332 H LEU 44 H LEU 44 10.207 3.969 -4.806 333 HA LEU 44 HA LEU 44 10.126 3.100 -2.076 334 1HB LEU 44 1HB LEU 44 8.274 5.194 -2.933 335 2HB LEU 44 2HB LEU 44 7.473 3.775 -2.289 336 HG LEU 44 HG LEU 44 9.765 4.838 -0.765 337 1HD1 LEU 44 1HD1 LEU 44 8.603 6.873 -1.377 338 2HD1 LEU 44 2HD1 LEU 44 7.059 6.156 -0.800 339 3HD1 LEU 44 3HD1 LEU 44 8.381 6.500 0.366 340 1HD2 LEU 44 1HD2 LEU 44 7.060 3.790 0.012 341 2HD2 LEU 44 2HD2 LEU 44 8.596 2.858 -0.023 342 3HD2 LEU 44 3HD2 LEU 44 8.395 4.215 1.139 343 H ARG 45 H ARG 45 8.607 3.315 -5.304 344 HA ARG 45 HA ARG 45 7.127 0.923 -5.166 345 1HB ARG 45 1HB ARG 45 8.070 2.726 -7.225 346 2HB ARG 45 2HB ARG 45 8.089 1.059 -7.765 347 1HG ARG 45 1HG ARG 45 5.940 2.357 -8.161 348 2HG ARG 45 2HG ARG 45 5.781 0.796 -7.382 349 1HD ARG 45 1HD ARG 45 4.847 1.719 -5.566 350 2HD ARG 45 2HD ARG 45 6.150 2.880 -5.417 351 HE ARG 45 HE ARG 45 4.764 4.481 -6.289 352 1HH1 ARG 45 1HH2 ARG 45 3.504 1.332 -7.156 353 2HH1 ARG 45 2HH2 ARG 45 2.150 2.002 -8.038 354 1HH2 ARG 45 1HH1 ARG 45 3.056 5.298 -7.511 355 2HH2 ARG 45 2HH1 ARG 45 1.903 4.200 -8.236 356 H GLU 46 H GLU 46 10.536 1.354 -5.164 357 HA GLU 46 HA GLU 46 11.043 -1.373 -6.094 358 1HB GLU 46 1HB GLU 46 12.677 1.028 -5.443 359 2HB GLU 46 2HB GLU 46 13.440 -0.548 -5.408 360 1HG GLU 46 1HG GLU 46 12.051 -0.674 -7.755 361 2HG GLU 46 2HG GLU 46 12.487 1.021 -7.704 362 H GLN 47 H GLN 47 11.377 0.588 -3.129 363 HA GLN 47 HA GLN 47 12.346 -1.610 -1.559 364 1HB GLN 47 1HB GLN 47 11.950 1.179 -1.207 365 2HB GLN 47 2HB GLN 47 11.116 0.344 0.088 366 1HG GLN 47 1HG GLN 47 13.225 -0.995 0.453 367 2HG GLN 47 2HG GLN 47 14.022 0.082 -0.678 368 1HE2 GLN 47 2HE2 GLN 47 11.708 0.490 2.031 369 2HE2 GLN 47 1HE2 GLN 47 12.615 1.754 2.833 370 H CYS 48 H CYS 48 9.150 -0.113 -2.030 371 HA CYS 48 HA CYS 48 7.751 -1.790 -0.218 372 1HB CYS 48 1HB CYS 48 6.629 0.150 -0.835 373 2HB CYS 48 2HB CYS 48 6.944 -0.111 -2.539 374 H CYS 49 H CYS 49 8.459 -2.003 -3.736 375 HA CYS 49 HA CYS 49 7.084 -4.459 -4.073 376 1HB CYS 49 1HB CYS 49 9.210 -3.045 -5.545 377 2HB CYS 49 2HB CYS 49 8.871 -4.717 -5.937 378 H ASN 50 H ASN 50 9.878 -3.795 -2.290 379 HA ASN 50 HA ASN 50 10.682 -6.628 -2.279 380 1HB ASN 50 1HB ASN 50 12.097 -4.161 -2.232 381 2HB ASN 50 2HB ASN 50 12.397 -5.001 -0.723 382 1HD2 ASN 50 2HD2 ASN 50 11.760 -6.270 -3.991 383 2HD2 ASN 50 1HD2 ASN 50 13.264 -7.153 -4.125 384 H GLU 51 H GLU 51 8.899 -4.345 -0.542 385 HA GLU 51 HA GLU 51 9.271 -5.808 1.985 386 1HB GLU 51 1HB GLU 51 9.003 -3.893 3.109 387 2HB GLU 51 2HB GLU 51 9.456 -3.159 1.585 388 1HG GLU 51 1HG GLU 51 7.068 -3.058 0.983 389 2HG GLU 51 2HG GLU 51 6.677 -3.658 2.582 390 H LEU 52 H LEU 52 7.184 -5.461 -0.642 391 HA LEU 52 HA LEU 52 4.866 -6.340 0.924 392 1HB LEU 52 1HB LEU 52 3.560 -5.195 -0.443 393 2HB LEU 52 2HB LEU 52 5.039 -4.362 -0.884 394 HG LEU 52 HG LEU 52 3.983 -4.765 -2.872 395 1HD1 LEU 52 1HD1 LEU 52 6.316 -5.412 -3.026 396 2HD1 LEU 52 2HD1 LEU 52 5.875 -7.088 -2.551 397 3HD1 LEU 52 3HD1 LEU 52 5.286 -6.415 -4.109 398 1HD2 LEU 52 1HD2 LEU 52 3.416 -7.567 -1.909 399 2HD2 LEU 52 2HD2 LEU 52 2.238 -6.215 -2.046 400 3HD2 LEU 52 3HD2 LEU 52 2.984 -6.910 -3.526 401 H TYR 53 H TYR 53 7.380 -7.408 -1.091 402 HA TYR 53 HA TYR 53 5.887 -9.814 -1.951 403 1HB TYR 53 1HB TYR 53 7.531 -7.990 -3.340 404 2HB TYR 53 2HB TYR 53 8.418 -9.497 -3.228 405 HD1 TYR 53 1HD TYR 53 7.223 -11.645 -3.972 406 HD2 TYR 53 2HD TYR 53 5.926 -7.679 -5.031 407 HE1 TYR 53 1HE TYR 53 6.106 -12.534 -6.006 408 HE2 TYR 53 2HE TYR 53 4.607 -8.609 -6.908 409 HH TYR 53 HH TYR 53 4.045 -10.514 -8.048 410 H GLN 54 H GLN 54 7.499 -8.895 0.577 411 HA GLN 54 HA GLN 54 9.528 -11.007 0.620 412 1HB GLN 54 1HB GLN 54 10.073 -10.022 2.840 413 2HB GLN 54 2HB GLN 54 10.262 -8.927 1.484 414 1HG GLN 54 1HG GLN 54 8.270 -7.780 2.012 415 2HG GLN 54 2HG GLN 54 7.780 -9.015 3.155 416 1HE2 GLN 54 2HE2 GLN 54 7.453 -7.236 4.637 417 2HE2 GLN 54 1HE2 GLN 54 8.826 -6.578 5.500 418 H GLU 55 H GLU 55 6.422 -10.162 2.019 419 HA GLU 55 HA GLU 55 6.505 -12.449 3.818 420 1HB GLU 55 1HB GLU 55 4.269 -10.517 3.314 421 2HB GLU 55 2HB GLU 55 4.383 -11.668 4.630 422 1HG GLU 55 1HG GLU 55 6.588 -10.430 5.182 423 2HG GLU 55 2HG GLU 55 5.907 -9.147 4.203 424 H ASP 56 H ASP 56 6.482 -12.619 0.757 425 HA ASP 56 HA ASP 56 5.744 -14.221 -0.689 426 1HB ASP 56 1HB ASP 56 5.150 -15.459 1.559 427 2HB ASP 56 2HB ASP 56 3.509 -15.055 1.092 428 H GLN 57 H GLN 57 3.347 -14.928 -1.608 429 HA GLN 57 HA GLN 57 2.099 -12.391 -2.317 430 1HB GLN 57 1HB GLN 57 2.310 -15.042 -3.448 431 2HB GLN 57 2HB GLN 57 0.670 -14.431 -3.515 432 1HG GLN 57 1HG GLN 57 2.063 -13.832 -5.503 433 2HG GLN 57 2HG GLN 57 1.380 -12.453 -4.666 434 1HE2 GLN 57 2HE2 GLN 57 2.696 -10.833 -4.158 435 2HE2 GLN 57 1HE2 GLN 57 4.437 -10.953 -4.036 436 H VAL 58 H VAL 58 1.520 -15.026 -0.197 437 HA VAL 58 HA VAL 58 -1.307 -14.583 0.102 438 HB VAL 58 HB VAL 58 0.165 -15.933 2.233 439 1HG1 VAL 58 1HG1 VAL 58 -2.260 -15.922 2.156 440 2HG1 VAL 58 2HG1 VAL 58 -2.213 -16.656 0.516 441 3HG1 VAL 58 3HG1 VAL 58 -1.625 -17.589 1.936 442 1HG2 VAL 58 1HG2 VAL 58 0.086 -17.099 -0.562 443 2HG2 VAL 58 2HG2 VAL 58 1.560 -16.598 0.339 444 3HG2 VAL 58 3HG2 VAL 58 0.569 -17.976 0.932 445 H CYS 59 H CYS 59 1.271 -12.764 0.915 446 HA CYS 59 HA CYS 59 -0.156 -11.466 3.147 447 1HB CYS 59 1HB CYS 59 2.739 -11.784 2.594 448 2HB CYS 59 2HB CYS 59 2.114 -10.566 3.687 449 H VAL 60 H VAL 60 -0.016 -11.267 0.029 450 HA VAL 60 HA VAL 60 0.557 -8.393 -0.143 451 HB VAL 60 HB VAL 60 0.121 -10.612 -2.059 452 1HG1 VAL 60 1HG1 VAL 60 -1.383 -8.878 -2.879 453 2HG1 VAL 60 2HG1 VAL 60 -0.041 -7.684 -2.787 454 3HG1 VAL 60 3HG1 VAL 60 0.053 -9.055 -3.947 455 1HG2 VAL 60 1HG2 VAL 60 2.186 -8.420 -1.858 456 2HG2 VAL 60 2HG2 VAL 60 2.388 -10.129 -1.334 457 3HG2 VAL 60 3HG2 VAL 60 2.171 -9.742 -3.077 458 H CYS 61 H CYS 61 -2.053 -10.551 0.369 459 HA CYS 61 HA CYS 61 -3.838 -8.447 0.846 460 1HB CYS 61 1HB CYS 61 -4.323 -7.955 -1.257 461 2HB CYS 61 2HB CYS 61 -3.797 -9.515 -1.856 462 HA PRO 62 HA PRO 62 -6.005 -8.323 0.861 463 1HB PRO 62 1HB PRO 62 -7.665 -8.060 3.012 464 2HB PRO 62 2HB PRO 62 -8.158 -8.717 1.465 465 1HG PRO 62 1HG PRO 62 -7.609 -10.132 3.986 466 2HG PRO 62 2HG PRO 62 -8.519 -10.680 2.594 467 1HD PRO 62 1HD PRO 62 -5.860 -11.407 3.301 468 2HD PRO 62 2HD PRO 62 -6.728 -11.862 1.850 469 H THR 63 H THR 63 -3.902 -9.524 3.037 470 HA THR 63 HA THR 63 -3.436 -7.884 5.098 471 HB THR 63 HB THR 63 -1.007 -8.125 4.503 472 HG1 THR 63 1HG THR 63 -0.791 -9.186 2.441 473 1HG2 THR 63 1HG2 THR 63 -2.272 -10.055 5.546 474 2HG2 THR 63 2HG2 THR 63 -2.680 -10.588 3.879 475 3HG2 THR 63 3HG2 THR 63 -0.967 -10.567 4.421 476 H LEU 64 H LEU 64 -2.328 -6.939 1.767 477 HA LEU 64 HA LEU 64 -1.389 -4.415 2.363 478 1HB LEU 64 1HB LEU 64 -2.293 -5.840 0.037 479 2HB LEU 64 2HB LEU 64 -2.722 -4.144 -0.046 480 HG LEU 64 HG LEU 64 0.005 -4.508 0.825 481 1HD1 LEU 64 1HD1 LEU 64 -0.092 -6.542 -0.535 482 2HD1 LEU 64 2HD1 LEU 64 -0.740 -5.579 -1.908 483 3HD1 LEU 64 3HD1 LEU 64 0.931 -5.285 -1.312 484 1HD2 LEU 64 1HD2 LEU 64 -1.243 -3.131 -1.573 485 2HD2 LEU 64 2HD2 LEU 64 -0.932 -2.385 0.032 486 3HD2 LEU 64 3HD2 LEU 64 0.446 -2.908 -0.997 487 H LYS 65 H LYS 65 -4.787 -5.369 1.667 488 HA LYS 65 HA LYS 65 -6.176 -3.095 1.825 489 1HB LYS 65 1HB LYS 65 -7.078 -5.470 1.909 490 2HB LYS 65 2HB LYS 65 -6.957 -5.320 3.651 491 1HG LYS 65 1HG LYS 65 -8.243 -3.005 2.572 492 2HG LYS 65 2HG LYS 65 -9.048 -4.450 1.996 493 1HD LYS 65 1HD LYS 65 -8.339 -4.301 4.884 494 2HD LYS 65 2HD LYS 65 -9.697 -3.349 4.320 495 1HE LYS 65 1HE LYS 65 -10.696 -5.395 3.342 496 2HE LYS 65 2HE LYS 65 -9.362 -6.332 3.985 497 1HZ LYS 65 1HZ LYS 65 -10.004 -5.646 6.180 498 2HZ LYS 65 2HZ LYS 65 -11.263 -4.761 5.570 499 3HZ LYS 65 3HZ LYS 65 -11.264 -6.411 5.424 500 H GLN 66 H GLN 66 -4.689 -4.568 4.748 501 HA GLN 66 HA GLN 66 -5.429 -2.572 6.539 502 1HB GLN 66 1HB GLN 66 -3.656 -4.766 6.508 503 2HB GLN 66 2HB GLN 66 -2.817 -3.372 7.161 504 1HG GLN 66 1HG GLN 66 -3.788 -4.012 9.086 505 2HG GLN 66 2HG GLN 66 -5.178 -3.166 8.439 506 1HE2 GLN 66 2HE2 GLN 66 -5.871 -4.997 6.354 507 2HE2 GLN 66 1HE2 GLN 66 -6.469 -6.455 7.115 508 H ALA 67 H ALA 67 -2.078 -2.767 5.205 509 HA ALA 67 HA ALA 67 -1.433 -0.126 5.831 510 1HB ALA 67 1HB ALA 67 0.156 -1.897 5.247 511 2HB ALA 67 2HB ALA 67 -0.504 -1.930 3.575 512 3HB ALA 67 3HB ALA 67 0.368 -0.474 4.169 513 H ALA 68 H ALA 68 -3.474 -1.323 3.276 514 HA ALA 68 HA ALA 68 -3.374 1.116 1.723 515 1HB ALA 68 1HB ALA 68 -3.527 -1.060 0.621 516 2HB ALA 68 2HB ALA 68 -5.043 -1.409 1.525 517 3HB ALA 68 3HB ALA 68 -5.007 -0.087 0.306 518 H LYS 69 H LYS 69 -5.094 -0.119 4.423 519 HA LYS 69 HA LYS 69 -7.361 1.688 4.057 520 1HB LYS 69 1HB LYS 69 -7.844 -0.659 4.648 521 2HB LYS 69 2HB LYS 69 -6.951 -0.445 6.140 522 1HG LYS 69 1HG LYS 69 -9.361 -0.175 6.510 523 2HG LYS 69 2HG LYS 69 -8.501 1.319 6.827 524 1HD LYS 69 1HD LYS 69 -9.205 2.272 4.754 525 2HD LYS 69 2HD LYS 69 -9.782 0.728 4.162 526 1HE LYS 69 1HE LYS 69 -11.793 1.551 4.837 527 2HE LYS 69 2HE LYS 69 -11.269 0.933 6.391 528 1HZ LYS 69 1HZ LYS 69 -10.416 3.100 6.910 529 2HZ LYS 69 2HZ LYS 69 -10.909 3.684 5.442 530 3HZ LYS 69 3HZ LYS 69 -12.030 3.186 6.554 531 H SER 70 H SER 70 -4.966 0.824 6.544 532 HA SER 70 HA SER 70 -5.262 3.375 7.894 533 1HB SER 70 1HB SER 70 -4.980 1.474 9.283 534 2HB SER 70 2HB SER 70 -3.565 0.956 8.390 535 HG SER 70 HG SER 70 -3.030 1.961 10.371 536 H VAL 71 H VAL 71 -4.170 3.033 5.027 537 HA VAL 71 HA VAL 71 -1.460 3.745 5.060 538 HB VAL 71 HB VAL 71 -3.282 3.259 3.157 539 1HG1 VAL 71 1HG1 VAL 71 -4.313 5.449 3.307 540 2HG1 VAL 71 2HG1 VAL 71 -2.717 6.215 2.997 541 3HG1 VAL 71 3HG1 VAL 71 -3.501 5.221 1.720 542 1HG2 VAL 71 1HG2 VAL 71 -0.687 4.749 2.731 543 2HG2 VAL 71 2HG2 VAL 71 -0.876 2.969 2.880 544 3HG2 VAL 71 3HG2 VAL 71 -1.595 3.835 1.478 545 H ARG 72 H ARG 72 -4.235 5.536 6.046 546 HA ARG 72 HA ARG 72 -2.585 7.951 6.352 547 1HB ARG 72 1HB ARG 72 -5.214 7.549 5.213 548 2HB ARG 72 2HB ARG 72 -5.222 8.737 6.500 549 1HG ARG 72 1HG ARG 72 -2.957 9.353 5.042 550 2HG ARG 72 2HG ARG 72 -4.142 8.931 3.823 551 1HD ARG 72 1HD ARG 72 -4.495 11.203 4.145 552 2HD ARG 72 2HD ARG 72 -5.733 10.453 5.131 553 HE ARG 72 HE ARG 72 -3.782 10.802 6.941 554 1HH1 ARG 72 1HH2 ARG 72 -5.214 13.000 4.623 555 2HH1 ARG 72 2HH2 ARG 72 -4.877 14.411 5.600 556 1HH2 ARG 72 1HH1 ARG 72 -3.341 12.617 8.144 557 2HH2 ARG 72 2HH1 ARG 72 -3.830 14.195 7.570 558 H VAL 73 H VAL 73 -5.732 7.113 7.657 559 HA VAL 73 HA VAL 73 -4.696 6.660 10.330 560 HB VAL 73 HB VAL 73 -6.307 9.119 9.680 561 1HG1 VAL 73 1HG1 VAL 73 -7.100 8.100 11.766 562 2HG1 VAL 73 2HG1 VAL 73 -5.408 8.056 12.373 563 3HG1 VAL 73 3HG1 VAL 73 -6.219 9.636 12.083 564 1HG2 VAL 73 1HG2 VAL 73 -3.528 8.828 10.880 565 2HG2 VAL 73 2HG2 VAL 73 -3.905 9.410 9.221 566 3HG2 VAL 73 3HG2 VAL 73 -4.415 10.376 10.648 567 H GLN 74 H GLN 74 -6.241 5.748 11.691 568 HA GLN 74 HA GLN 74 -8.766 4.978 10.361 569 1HB GLN 74 1HB GLN 74 -8.691 2.959 11.700 570 2HB GLN 74 2HB GLN 74 -7.244 3.128 10.724 571 1HG GLN 74 1HG GLN 74 -5.979 2.994 12.555 572 2HG GLN 74 2HG GLN 74 -6.771 4.412 13.215 573 1HE2 GLN 74 2HE2 GLN 74 -5.748 2.280 14.750 574 2HE2 GLN 74 1HE2 GLN 74 -7.087 1.484 15.544 575 H GLY 75 H GLY 75 -10.678 5.366 11.304 576 1HA GLY 75 1HA GLY 75 -12.045 5.613 13.284 577 2HA GLY 75 2HA GLY 75 -10.680 6.333 14.113 578 H GLN 76 H GLN 76 -9.764 8.327 12.722 579 HA GLN 76 HA GLN 76 -12.104 10.082 12.292 580 1HB GLN 76 1HB GLN 76 -10.467 11.932 12.641 581 2HB GLN 76 2HB GLN 76 -10.729 10.901 14.033 582 1HG GLN 76 1HG GLN 76 -8.621 10.011 13.943 583 2HG GLN 76 2HG GLN 76 -8.517 10.160 12.200 584 1HE2 GLN 76 2HE2 GLN 76 -7.956 11.666 15.262 585 2HE2 GLN 76 1HE2 GLN 76 -7.128 13.084 14.657 586 H HIS 77 H HIS 77 -12.216 8.867 10.152 587 HA HIS 77 HA HIS 77 -11.258 10.640 8.117 588 1HB HIS 77 1HB HIS 77 -9.440 8.637 8.856 589 2HB HIS 77 2HB HIS 77 -10.147 8.110 7.341 590 HD1 HIS 77 1HD HIS 77 -7.678 10.519 8.747 591 HD2 HIS 77 2HD HIS 77 -9.856 9.900 5.172 592 HE1 HIS 77 1HE HIS 77 -6.583 11.998 6.952 593 HE2 HIS 77 2HE HIS 77 -7.865 11.566 4.759 594 H GLY 78 H GLY 78 -12.986 10.768 6.917 595 1HA GLY 78 1HA GLY 78 -14.721 8.414 6.606 596 2HA GLY 78 2HA GLY 78 -15.127 10.073 6.216 597 HA PRO 79 HA PRO 79 -14.229 8.045 2.255 598 1HB PRO 79 1HB PRO 79 -16.322 9.211 0.891 599 2HB PRO 79 2HB PRO 79 -16.383 7.643 1.669 600 1HG PRO 79 1HG PRO 79 -17.612 10.175 2.524 601 2HG PRO 79 2HG PRO 79 -17.986 8.544 3.041 602 1HD PRO 79 1HD PRO 79 -16.467 10.492 4.460 603 2HD PRO 79 2HD PRO 79 -16.753 8.827 4.928 604 H PHE 80 H PHE 80 -12.402 9.029 1.628 605 HA PHE 80 HA PHE 80 -12.543 11.372 -0.025 606 1HB PHE 80 1HB PHE 80 -12.683 12.088 2.522 607 2HB PHE 80 2HB PHE 80 -10.949 11.844 2.446 608 HD1 PHE 80 1HD PHE 80 -9.652 13.696 2.045 609 HD2 PHE 80 2HD PHE 80 -13.641 13.493 0.418 610 HE1 PHE 80 1HE PHE 80 -9.378 15.980 1.089 611 HE2 PHE 80 2HE PHE 80 -13.363 15.777 -0.544 612 HZ PHE 80 HZ PHE 80 -11.232 17.022 -0.206 613 H GLN 81 H GLN 81 -10.362 9.752 2.278 614 HA GLN 81 HA GLN 81 -8.089 10.041 0.542 615 1HB GLN 81 1HB GLN 81 -8.476 9.371 3.247 616 2HB GLN 81 2HB GLN 81 -7.698 7.995 2.492 617 1HG GLN 81 1HG GLN 81 -5.998 9.530 3.235 618 2HG GLN 81 2HG GLN 81 -6.043 9.529 1.484 619 1HE2 GLN 81 2HE2 GLN 81 -4.746 11.607 2.194 620 2HE2 GLN 81 1HE2 GLN 81 -5.703 13.054 2.410 621 H SER 82 H SER 82 -10.015 7.245 1.695 622 HA SER 82 HA SER 82 -8.920 5.175 0.345 623 1HB SER 82 1HB SER 82 -11.867 5.738 0.496 624 2HB SER 82 2HB SER 82 -11.147 4.185 0.122 625 HG SER 82 HG SER 82 -11.675 4.390 2.359 626 H THR 83 H THR 83 -11.285 7.469 -1.128 627 HA THR 83 HA THR 83 -11.482 6.532 -3.655 628 HB THR 83 HB THR 83 -11.484 9.159 -2.419 629 HG1 THR 83 1HG THR 83 -13.422 9.103 -3.665 630 1HG2 THR 83 1HG2 THR 83 -10.004 9.711 -4.352 631 2HG2 THR 83 2HG2 THR 83 -11.220 8.958 -5.442 632 3HG2 THR 83 3HG2 THR 83 -11.643 10.434 -4.506 633 H ARG 84 H ARG 84 -8.929 8.931 -2.991 634 HA ARG 84 HA ARG 84 -7.520 8.209 -5.372 635 1HB ARG 84 1HB ARG 84 -7.548 10.444 -3.873 636 2HB ARG 84 2HB ARG 84 -6.108 9.678 -3.231 637 1HG ARG 84 1HG ARG 84 -4.968 10.411 -5.029 638 2HG ARG 84 2HG ARG 84 -5.971 9.387 -6.037 639 1HD ARG 84 1HD ARG 84 -7.677 11.298 -5.943 640 2HD ARG 84 2HD ARG 84 -6.349 12.276 -5.355 641 HE ARG 84 HE ARG 84 -5.302 11.129 -7.595 642 1HH1 ARG 84 1HH2 ARG 84 -8.226 12.960 -7.018 643 2HH1 ARG 84 2HH2 ARG 84 -8.271 13.592 -8.648 644 1HH2 ARG 84 1HH1 ARG 84 -5.399 11.950 -9.671 645 2HH2 ARG 84 2HH1 ARG 84 -6.699 13.030 -10.125 646 H ILE 85 H ILE 85 -6.954 7.711 -1.873 647 HA ILE 85 HA ILE 85 -4.621 6.406 -1.798 648 HB ILE 85 HB ILE 85 -7.136 6.014 -0.309 649 1HG1 ILE 85 1HG1 ILE 85 -5.897 7.967 0.222 650 2HG1 ILE 85 2HG1 ILE 85 -5.745 6.844 1.558 651 1HG2 ILE 85 1HG2 ILE 85 -6.248 3.765 -0.396 652 2HG2 ILE 85 2HG2 ILE 85 -4.643 4.371 0.143 653 3HG2 ILE 85 3HG2 ILE 85 -6.057 4.457 1.252 654 1HD1 ILE 85 1HD1 ILE 85 -3.528 6.145 0.747 655 2HD1 ILE 85 2HD1 ILE 85 -3.683 7.298 -0.624 656 3HD1 ILE 85 3HD1 ILE 85 -3.589 7.913 1.062 657 H TYR 86 H TYR 86 -7.653 4.771 -2.478 658 HA TYR 86 HA TYR 86 -6.580 2.255 -3.167 659 1HB TYR 86 1HB TYR 86 -9.156 3.714 -3.544 660 2HB TYR 86 2HB TYR 86 -8.903 2.158 -4.310 661 HD1 TYR 86 1HD TYR 86 -9.887 0.377 -3.231 662 HD2 TYR 86 2HD TYR 86 -8.368 3.636 -0.904 663 HE1 TYR 86 1HE TYR 86 -10.553 -0.808 -1.153 664 HE2 TYR 86 2HE TYR 86 -9.122 2.525 1.177 665 HH TYR 86 HH TYR 86 -10.062 0.719 2.049 666 H GLN 87 H GLN 87 -7.794 5.003 -5.134 667 HA GLN 87 HA GLN 87 -7.264 3.888 -7.640 668 1HB GLN 87 1HB GLN 87 -8.228 6.275 -6.732 669 2HB GLN 87 2HB GLN 87 -6.705 6.743 -7.460 670 1HG GLN 87 1HG GLN 87 -7.336 6.014 -9.568 671 2HG GLN 87 2HG GLN 87 -8.535 4.905 -8.934 672 1HE2 GLN 87 2HE2 GLN 87 -8.651 7.072 -11.004 673 2HE2 GLN 87 1HE2 GLN 87 -9.933 8.147 -10.490 674 H ILE 88 H ILE 88 -5.032 5.282 -5.337 675 HA ILE 88 HA ILE 88 -2.840 5.451 -7.237 676 HB ILE 88 HB ILE 88 -2.901 5.796 -4.249 677 1HG1 ILE 88 1HG1 ILE 88 -2.648 8.151 -6.019 678 2HG1 ILE 88 2HG1 ILE 88 -4.240 7.426 -5.917 679 1HG2 ILE 88 1HG2 ILE 88 -0.665 5.330 -5.132 680 2HG2 ILE 88 2HG2 ILE 88 -0.875 6.652 -6.332 681 3HG2 ILE 88 3HG2 ILE 88 -0.800 7.035 -4.578 682 1HD1 ILE 88 1HD1 ILE 88 -4.166 7.560 -3.444 683 2HD1 ILE 88 2HD1 ILE 88 -2.533 8.301 -3.551 684 3HD1 ILE 88 3HD1 ILE 88 -3.963 9.182 -4.190 685 H ALA 89 H ALA 89 -4.003 3.359 -4.618 686 HA ALA 89 HA ALA 89 -1.790 1.540 -4.878 687 1HB ALA 89 1HB ALA 89 -2.986 1.785 -2.782 688 2HB ALA 89 2HB ALA 89 -4.508 1.262 -3.583 689 3HB ALA 89 3HB ALA 89 -3.144 0.105 -3.401 690 H LYS 90 H LYS 90 -4.170 2.258 -7.036 691 HA LYS 90 HA LYS 90 -4.725 -0.445 -7.908 692 1HB LYS 90 1HB LYS 90 -6.535 0.749 -8.473 693 2HB LYS 90 2HB LYS 90 -5.642 2.253 -8.569 694 1HG LYS 90 1HG LYS 90 -5.399 0.139 -10.682 695 2HG LYS 90 2HG LYS 90 -6.661 1.353 -10.732 696 1HD LYS 90 1HD LYS 90 -3.997 2.467 -10.275 697 2HD LYS 90 2HD LYS 90 -4.148 1.635 -11.808 698 1HE LYS 90 1HE LYS 90 -5.079 3.486 -12.616 699 2HE LYS 90 2HE LYS 90 -6.464 3.148 -11.597 700 1HZ LYS 90 1HZ LYS 90 -5.443 4.424 -9.870 701 2HZ LYS 90 2HZ LYS 90 -4.134 4.742 -10.833 702 3HZ LYS 90 3HZ LYS 90 -5.625 5.339 -11.237 703 H ASN 91 H ASN 91 -2.327 2.003 -8.443 704 HA ASN 91 HA ASN 91 -1.388 0.740 -10.925 705 1HB ASN 91 1HB ASN 91 0.196 2.885 -9.703 706 2HB ASN 91 2HB ASN 91 -0.323 2.687 -11.364 707 1HD2 ASN 91 2HD2 ASN 91 -1.902 4.015 -12.116 708 2HD2 ASN 91 1HD2 ASN 91 -2.928 4.989 -11.085 709 H LEU 92 H LEU 92 -1.156 0.194 -7.695 710 HA LEU 92 HA LEU 92 1.622 -0.344 -7.381 711 1HB LEU 92 1HB LEU 92 -0.839 -0.789 -5.873 712 2HB LEU 92 2HB LEU 92 0.413 -1.987 -5.615 713 HG LEU 92 HG LEU 92 0.942 0.942 -5.408 714 1HD1 LEU 92 1HD1 LEU 92 -0.866 0.413 -3.837 715 2HD1 LEU 92 2HD1 LEU 92 0.100 -0.959 -3.195 716 3HD1 LEU 92 3HD1 LEU 92 0.671 0.729 -2.960 717 1HD2 LEU 92 1HD2 LEU 92 2.350 -1.503 -4.302 718 2HD2 LEU 92 2HD2 LEU 92 2.895 -0.502 -5.693 719 3HD2 LEU 92 3HD2 LEU 92 2.850 0.204 -4.040 720 HA PRO 93 HA PRO 93 0.581 -4.801 -8.546 721 1HB PRO 93 1HB PRO 93 -1.878 -5.380 -9.651 722 2HB PRO 93 2HB PRO 93 -1.456 -5.606 -7.966 723 1HG PRO 93 1HG PRO 93 -3.141 -3.541 -9.188 724 2HG PRO 93 2HG PRO 93 -3.052 -4.043 -7.511 725 1HD PRO 93 1HD PRO 93 -1.912 -1.741 -8.686 726 2HD PRO 93 2HD PRO 93 -1.749 -2.289 -7.031 727 H ASN 94 H ASN 94 0.179 -2.053 -10.326 728 HA ASN 94 HA ASN 94 0.196 -3.311 -12.970 729 1HB ASN 94 1HB ASN 94 0.256 -0.485 -11.955 730 2HB ASN 94 2HB ASN 94 0.531 -0.862 -13.644 731 1HD2 ASN 94 2HD2 ASN 94 -1.659 -2.210 -11.196 732 2HD2 ASN 94 1HD2 ASN 94 -3.133 -1.909 -12.090 733 H VAL 95 H VAL 95 2.299 -1.391 -10.857 734 HA VAL 95 HA VAL 95 4.601 -2.083 -12.583 735 HB VAL 95 HB VAL 95 4.426 0.010 -10.447 736 1HG1 VAL 95 1HG1 VAL 95 6.720 -0.743 -10.882 737 2HG1 VAL 95 2HG1 VAL 95 6.472 -0.452 -12.638 738 3HG1 VAL 95 3HG1 VAL 95 6.461 0.930 -11.488 739 1HG2 VAL 95 1HG2 VAL 95 4.168 0.292 -13.465 740 2HG2 VAL 95 2HG2 VAL 95 2.849 0.522 -12.266 741 3HG2 VAL 95 3HG2 VAL 95 4.246 1.652 -12.292 742 H CYS 96 H CYS 96 3.073 -3.074 -9.831 743 HA CYS 96 HA CYS 96 5.533 -4.301 -8.777 744 1HB CYS 96 1HB CYS 96 4.293 -2.461 -7.359 745 2HB CYS 96 2HB CYS 96 3.228 -3.799 -6.977 746 H ASN 97 H ASN 97 3.942 -5.374 -10.862 747 HA ASN 97 HA ASN 97 1.883 -6.988 -10.626 748 1HB ASN 97 1HB ASN 97 4.575 -7.487 -11.739 749 2HB ASN 97 2HB ASN 97 3.528 -8.883 -11.568 750 1HD2 ASN 97 2HD2 ASN 97 3.547 -5.548 -12.762 751 2HD2 ASN 97 1HD2 ASN 97 2.501 -5.848 -14.132 752 H MET 98 H MET 98 1.220 -7.624 -8.627 753 HA MET 98 HA MET 98 2.906 -9.601 -7.217 754 1HB MET 98 1HB MET 98 2.137 -8.766 -5.102 755 2HB MET 98 2HB MET 98 2.880 -7.461 -6.004 756 1HG MET 98 1HG MET 98 0.043 -7.743 -6.555 757 2HG MET 98 2HG MET 98 0.371 -7.426 -4.864 758 1HE MET 98 1HE MET 98 0.422 -5.179 -3.915 759 2HE MET 98 2HE MET 98 2.181 -5.392 -4.214 760 3HE MET 98 3HE MET 98 1.376 -3.847 -4.654 761 H LYS 99 H LYS 99 0.939 -10.219 -5.290 762 HA LYS 99 HA LYS 99 -0.430 -12.217 -5.541 763 1HB LYS 99 1HB LYS 99 -1.338 -10.964 -3.866 764 2HB LYS 99 2HB LYS 99 -1.738 -9.631 -4.929 765 1HG LYS 99 1HG LYS 99 -3.154 -12.088 -5.589 766 2HG LYS 99 2HG LYS 99 -3.511 -11.493 -3.980 767 1HD LYS 99 1HD LYS 99 -3.466 -9.456 -6.129 768 2HD LYS 99 2HD LYS 99 -4.782 -10.609 -6.201 769 1HE LYS 99 1HE LYS 99 -5.729 -9.030 -4.853 770 2HE LYS 99 2HE LYS 99 -4.962 -10.031 -3.637 771 1HZ LYS 99 1HZ LYS 99 -3.090 -8.552 -3.667 772 2HZ LYS 99 2HZ LYS 99 -3.815 -7.605 -4.816 773 3HZ LYS 99 3HZ LYS 99 -4.475 -7.721 -3.302 774 H GLN 100 H GLN 100 -0.112 -13.030 -7.633 775 HA GLN 100 HA GLN 100 -1.569 -11.661 -9.778 776 1HB GLN 100 1HB GLN 100 0.654 -12.688 -10.187 777 2HB GLN 100 2HB GLN 100 -0.045 -14.261 -9.863 778 1HG GLN 100 1HG GLN 100 -1.499 -12.641 -11.847 779 2HG GLN 100 2HG GLN 100 0.107 -13.139 -12.341 780 1HE2 GLN 100 2HE2 GLN 100 0.462 -15.231 -12.969 781 2HE2 GLN 100 1HE2 GLN 100 -0.754 -16.487 -12.915 782 H ILE 101 H ILE 101 -1.678 -14.605 -7.870 783 HA ILE 101 HA ILE 101 -3.662 -16.091 -8.915 784 HB ILE 101 HB ILE 101 -2.866 -16.967 -6.996 785 1HG1 ILE 101 1HG1 ILE 101 -5.338 -15.742 -5.827 786 2HG1 ILE 101 2HG1 ILE 101 -5.401 -16.964 -7.082 787 1HG2 ILE 101 1HG2 ILE 101 -1.705 -14.991 -6.135 788 2HG2 ILE 101 2HG2 ILE 101 -3.269 -14.326 -5.548 789 3HG2 ILE 101 3HG2 ILE 101 -2.600 -15.826 -4.818 790 1HD1 ILE 101 1HD1 ILE 101 -4.128 -18.520 -5.663 791 2HD1 ILE 101 2HD1 ILE 101 -4.064 -17.267 -4.375 792 3HD1 ILE 101 3HD1 ILE 101 -5.642 -17.979 -4.858 793 H GLY 102 H GLY 102 -4.378 -13.370 -6.687 794 1HA GLY 102 1HA GLY 102 -6.028 -11.714 -7.377 795 2HA GLY 102 2HA GLY 102 -6.910 -12.989 -8.194 796 H THR 103 H THR 103 -5.988 -11.648 -5.075 797 HA THR 103 HA THR 103 -7.973 -13.389 -3.740 798 HB THR 103 HB THR 103 -5.679 -11.768 -2.711 799 HG1 THR 103 1HG THR 103 -5.075 -13.893 -2.079 800 1HG2 THR 103 1HG2 THR 103 -7.534 -11.558 -1.074 801 2HG2 THR 103 2HG2 THR 103 -7.691 -13.349 -1.076 802 3HG2 THR 103 3HG2 THR 103 -6.191 -12.579 -0.455 803 H CYS 104 H CYS 104 -6.930 -9.970 -3.526 804 HA CYS 104 HA CYS 104 -9.778 -9.199 -3.507 805 1HB CYS 104 1HB CYS 104 -9.414 -7.603 -1.771 806 2HB CYS 104 2HB CYS 104 -8.985 -9.210 -1.219 807 HA PRO 105 HA PRO 105 -7.180 -6.895 -6.533 808 1HB PRO 105 1HB PRO 105 -8.566 -7.613 -8.804 809 2HB PRO 105 2HB PRO 105 -7.112 -8.405 -8.236 810 1HG PRO 105 1HG PRO 105 -9.888 -9.366 -8.150 811 2HG PRO 105 2HG PRO 105 -8.403 -10.280 -7.977 812 1HD PRO 105 1HD PRO 105 -10.163 -9.438 -5.906 813 2HD PRO 105 2HD PRO 105 -8.635 -10.276 -5.727 814 H PHE 106 H PHE 106 -8.196 -5.232 -5.276 815 HA PHE 106 HA PHE 106 -10.800 -4.256 -6.106 816 1HB PHE 106 1HB PHE 106 -10.602 -2.786 -4.325 817 2HB PHE 106 2HB PHE 106 -9.709 -4.191 -3.777 818 HD1 PHE 106 1HD PHE 106 -7.237 -4.130 -3.588 819 HD2 PHE 106 2HD PHE 106 -9.489 -0.708 -4.856 820 HE1 PHE 106 1HE PHE 106 -5.257 -2.668 -3.199 821 HE2 PHE 106 2HE PHE 106 -7.499 0.729 -4.563 822 HZ PHE 106 HZ PHE 106 -5.415 -0.239 -3.660 823 H ILE 107 H ILE 107 -8.058 -4.279 -7.782 824 HA ILE 107 HA ILE 107 -7.470 -1.610 -8.378 825 HB ILE 107 HB ILE 107 -6.814 -2.681 -10.636 826 1HG1 ILE 107 1HG1 ILE 107 -6.895 -5.237 -9.089 827 2HG1 ILE 107 2HG1 ILE 107 -8.288 -4.754 -10.036 828 1HG2 ILE 107 1HG2 ILE 107 -5.264 -1.969 -8.899 829 2HG2 ILE 107 2HG2 ILE 107 -5.576 -3.489 -7.993 830 3HG2 ILE 107 3HG2 ILE 107 -4.752 -3.549 -9.589 831 1HD1 ILE 107 1HD1 ILE 107 -6.883 -4.586 -12.059 832 2HD1 ILE 107 2HD1 ILE 107 -5.454 -5.081 -11.088 833 3HD1 ILE 107 3HD1 ILE 107 -6.811 -6.233 -11.342 834 H ALA 108 H ALA 108 -9.908 -3.777 -9.805 835 HA ALA 108 HA ALA 108 -10.837 -1.884 -11.737 836 1HB ALA 108 1HB ALA 108 -11.104 -4.293 -12.045 837 2HB ALA 108 2HB ALA 108 -12.125 -4.373 -10.567 838 3HB ALA 108 3HB ALA 108 -12.709 -3.484 -12.017 839 H ILE 109 H ILE 109 -10.705 -0.221 -9.839 840 HA ILE 109 HA ILE 109 -13.320 0.061 -8.532 841 HB ILE 109 HB ILE 109 -11.987 1.915 -7.319 842 1HG1 ILE 109 1HG1 ILE 109 -9.696 0.130 -8.046 843 2HG1 ILE 109 2HG1 ILE 109 -10.005 1.671 -8.820 844 1HG2 ILE 109 1HG2 ILE 109 -12.977 -0.008 -6.221 845 2HG2 ILE 109 2HG2 ILE 109 -11.602 -1.036 -6.754 846 3HG2 ILE 109 3HG2 ILE 109 -11.327 0.292 -5.573 847 1HD1 ILE 109 1HD1 ILE 109 -9.822 2.819 -6.663 848 2HD1 ILE 109 2HD1 ILE 109 -9.504 1.237 -5.868 849 3HD1 ILE 109 3HD1 ILE 109 -8.327 1.899 -7.055 Start of MODEL 14 1 1H GLN 1 1H GLN 1 -0.110 -21.719 4.273 2 2H GLN 1 2H GLN 1 0.605 -21.317 2.834 3 3H GLN 1 3H GLN 1 1.541 -21.666 4.156 4 HA GLN 1 HA GLN 1 0.693 -19.760 5.297 5 1HB GLN 1 1HB GLN 1 2.292 -19.686 2.842 6 2HB GLN 1 2HB GLN 1 1.631 -18.135 3.318 7 1HG GLN 1 1HG GLN 1 2.554 -18.430 5.572 8 2HG GLN 1 2HG GLN 1 3.209 -19.987 5.102 9 1HE2 GLN 1 2HE2 GLN 1 4.907 -18.146 6.122 10 2HE2 GLN 1 1HE2 GLN 1 5.956 -17.538 4.861 11 HA PRO 2 HA PRO 2 -3.107 -19.031 2.693 12 1HB PRO 2 1HB PRO 2 -5.009 -19.698 4.582 13 2HB PRO 2 2HB PRO 2 -4.441 -20.755 3.305 14 1HG PRO 2 1HG PRO 2 -3.858 -20.856 6.176 15 2HG PRO 2 2HG PRO 2 -3.630 -22.098 4.963 16 1HD PRO 2 1HD PRO 2 -1.643 -20.426 6.118 17 2HD PRO 2 2HD PRO 2 -1.429 -21.617 4.849 18 H GLN 3 H GLN 3 -5.356 -17.925 4.041 19 HA GLN 3 HA GLN 3 -4.771 -15.282 4.414 20 1HB GLN 3 1HB GLN 3 -7.017 -16.761 4.673 21 2HB GLN 3 2HB GLN 3 -6.712 -16.363 6.352 22 1HG GLN 3 1HG GLN 3 -7.682 -14.378 5.958 23 2HG GLN 3 2HG GLN 3 -6.282 -13.973 4.986 24 1HE2 GLN 3 2HE2 GLN 3 -9.294 -13.409 4.807 25 2HE2 GLN 3 1HE2 GLN 3 -9.684 -13.814 3.150 26 H LYS 4 H LYS 4 -4.349 -17.864 6.826 27 HA LYS 4 HA LYS 4 -3.829 -16.518 9.128 28 1HB LYS 4 1HB LYS 4 -3.376 -19.020 8.274 29 2HB LYS 4 2HB LYS 4 -1.729 -18.436 8.399 30 1HG LYS 4 1HG LYS 4 -3.209 -17.576 10.700 31 2HG LYS 4 2HG LYS 4 -3.417 -19.303 10.499 32 1HD LYS 4 1HD LYS 4 -0.930 -19.511 10.315 33 2HD LYS 4 2HD LYS 4 -0.809 -17.809 10.715 34 1HE LYS 4 1HE LYS 4 -2.247 -18.448 12.787 35 2HE LYS 4 2HE LYS 4 -1.721 -20.082 12.439 36 1HZ LYS 4 1HZ LYS 4 0.542 -19.329 12.573 37 2HZ LYS 4 2HZ LYS 4 0.043 -17.785 12.900 38 3HZ LYS 4 3HZ LYS 4 -0.260 -19.000 13.984 39 H CYS 5 H CYS 5 -1.749 -16.451 6.285 40 HA CYS 5 HA CYS 5 0.427 -15.032 7.263 41 1HB CYS 5 1HB CYS 5 0.953 -15.401 5.141 42 2HB CYS 5 2HB CYS 5 -0.727 -15.565 4.674 43 H GLN 6 H GLN 6 -2.618 -13.651 5.899 44 HA GLN 6 HA GLN 6 -2.150 -10.983 6.172 45 1HB GLN 6 1HB GLN 6 -4.501 -12.666 6.221 46 2HB GLN 6 2HB GLN 6 -4.709 -11.217 7.183 47 1HG GLN 6 1HG GLN 6 -3.466 -10.602 4.662 48 2HG GLN 6 2HG GLN 6 -4.983 -11.447 4.425 49 1HE2 GLN 6 2HE2 GLN 6 -6.917 -10.443 4.919 50 2HE2 GLN 6 1HE2 GLN 6 -7.010 -8.781 5.458 51 H ARG 7 H ARG 7 -3.264 -13.123 8.789 52 HA ARG 7 HA ARG 7 -3.192 -11.172 10.831 53 1HB ARG 7 1HB ARG 7 -2.888 -14.142 10.872 54 2HB ARG 7 2HB ARG 7 -2.745 -13.189 12.335 55 1HG ARG 7 1HG ARG 7 -4.963 -12.450 12.214 56 2HG ARG 7 2HG ARG 7 -5.100 -12.855 10.515 57 1HD ARG 7 1HD ARG 7 -4.675 -15.294 11.338 58 2HD ARG 7 2HD ARG 7 -5.180 -14.665 12.895 59 HE ARG 7 HE ARG 7 -7.063 -13.871 10.929 60 1HH1 ARG 7 1HH2 ARG 7 -6.037 -16.765 12.595 61 2HH1 ARG 7 2HH2 ARG 7 -7.597 -17.538 12.426 62 1HH2 ARG 7 1HH1 ARG 7 -9.043 -14.891 10.727 63 2HH2 ARG 7 2HH1 ARG 7 -9.269 -16.495 11.386 64 H GLU 8 H GLU 8 -0.649 -13.516 9.885 65 HA GLU 8 HA GLU 8 1.365 -12.524 11.567 66 1HB GLU 8 1HB GLU 8 1.149 -14.395 9.436 67 2HB GLU 8 2HB GLU 8 2.601 -13.437 9.223 68 1HG GLU 8 1HG GLU 8 2.092 -14.313 11.986 69 2HG GLU 8 2HG GLU 8 2.432 -15.609 10.856 70 H PHE 9 H PHE 9 0.149 -11.188 8.626 71 HA PHE 9 HA PHE 9 2.413 -9.486 8.081 72 1HB PHE 9 1HB PHE 9 1.222 -9.879 6.180 73 2HB PHE 9 2HB PHE 9 -0.305 -9.968 7.036 74 HD1 PHE 9 1HD PHE 9 -1.333 -7.717 7.892 75 HD2 PHE 9 2HD PHE 9 1.676 -8.050 4.836 76 HE1 PHE 9 1HE PHE 9 -1.688 -5.336 7.296 77 HE2 PHE 9 2HE PHE 9 1.061 -5.788 4.033 78 HZ PHE 9 HZ PHE 9 -0.465 -4.360 5.369 79 H GLN 10 H GLN 10 -0.644 -9.278 9.833 80 HA GLN 10 HA GLN 10 -0.142 -6.430 10.390 81 1HB GLN 10 1HB GLN 10 -2.482 -7.814 9.794 82 2HB GLN 10 2HB GLN 10 -2.587 -7.448 11.505 83 1HG GLN 10 1HG GLN 10 -1.794 -5.072 10.759 84 2HG GLN 10 2HG GLN 10 -2.375 -5.575 9.186 85 1HE2 GLN 10 2HE2 GLN 10 -3.553 -3.416 10.162 86 2HE2 GLN 10 1HE2 GLN 10 -5.167 -3.780 10.729 87 H GLN 11 H GLN 11 0.505 -9.408 11.689 88 HA GLN 11 HA GLN 11 -0.196 -9.208 14.385 89 1HB GLN 11 1HB GLN 11 1.033 -11.084 12.867 90 2HB GLN 11 2HB GLN 11 2.397 -10.464 13.776 91 1HG GLN 11 1HG GLN 11 0.162 -10.814 15.528 92 2HG GLN 11 2HG GLN 11 0.444 -12.298 14.641 93 1HE2 GLN 11 2HE2 GLN 11 1.380 -10.400 17.277 94 2HE2 GLN 11 1HE2 GLN 11 2.831 -11.279 17.705 95 H GLU 12 H GLU 12 2.756 -8.274 12.658 96 HA GLU 12 HA GLU 12 3.305 -5.991 14.163 97 1HB GLU 12 1HB GLU 12 5.381 -7.041 15.388 98 2HB GLU 12 2HB GLU 12 3.804 -6.958 16.146 99 1HG GLU 12 1HG GLU 12 3.412 -9.226 15.886 100 2HG GLU 12 2HG GLU 12 4.553 -9.375 14.566 101 H GLN 13 H GLN 13 3.397 -7.087 11.485 102 HA GLN 13 HA GLN 13 6.027 -6.073 10.779 103 1HB GLN 13 1HB GLN 13 5.981 -8.719 11.178 104 2HB GLN 13 2HB GLN 13 5.470 -8.673 9.503 105 1HG GLN 13 1HG GLN 13 7.439 -7.040 9.164 106 2HG GLN 13 2HG GLN 13 8.013 -7.632 10.709 107 1HE2 GLN 13 2HE2 GLN 13 9.570 -9.095 10.459 108 2HE2 GLN 13 1HE2 GLN 13 9.626 -10.315 9.208 109 H HIS 14 H HIS 14 3.771 -4.765 10.366 110 HA HIS 14 HA HIS 14 2.423 -5.471 7.936 111 1HB HIS 14 1HB HIS 14 2.364 -2.682 8.883 112 2HB HIS 14 2HB HIS 14 1.057 -3.714 8.338 113 HD1 HIS 14 1HD HIS 14 0.806 -1.904 10.900 114 HD2 HIS 14 2HD HIS 14 1.954 -5.951 10.834 115 HE1 HIS 14 1HE HIS 14 0.300 -2.856 13.239 116 HE2 HIS 14 2HE HIS 14 1.068 -5.302 13.190 117 H LEU 15 H LEU 15 2.456 -2.758 6.809 118 HA LEU 15 HA LEU 15 5.180 -2.812 5.653 119 1HB LEU 15 1HB LEU 15 2.744 -1.977 4.151 120 2HB LEU 15 2HB LEU 15 4.327 -2.387 3.524 121 HG LEU 15 HG LEU 15 2.206 -4.209 4.558 122 1HD1 LEU 15 1HD1 LEU 15 2.007 -3.564 2.235 123 2HD1 LEU 15 2HD1 LEU 15 3.707 -4.068 1.938 124 3HD1 LEU 15 3HD1 LEU 15 2.466 -5.298 2.364 125 1HD2 LEU 15 1HD2 LEU 15 5.067 -5.007 3.971 126 2HD2 LEU 15 2HD2 LEU 15 4.267 -5.021 5.581 127 3HD2 LEU 15 3HD2 LEU 15 3.703 -6.135 4.286 128 H ARG 16 H ARG 16 5.752 -0.730 4.598 129 HA ARG 16 HA ARG 16 4.638 1.608 5.990 130 1HB ARG 16 1HB ARG 16 7.551 0.903 5.923 131 2HB ARG 16 2HB ARG 16 6.906 2.453 6.420 132 1HG ARG 16 1HG ARG 16 6.310 1.682 8.446 133 2HG ARG 16 2HG ARG 16 5.679 0.185 7.789 134 1HD ARG 16 1HD ARG 16 7.603 -0.926 8.166 135 2HD ARG 16 2HD ARG 16 8.591 0.419 7.630 136 HE ARG 16 HE ARG 16 7.474 1.170 10.085 137 1HH1 ARG 16 1HH2 ARG 16 9.669 -1.287 8.914 138 2HH1 ARG 16 2HH2 ARG 16 10.536 -1.377 10.431 139 1HH2 ARG 16 1HH1 ARG 16 8.608 1.039 12.001 140 2HH2 ARG 16 2HH1 ARG 16 9.945 -0.079 12.152 141 H ALA 17 H ALA 17 7.604 1.288 4.067 142 HA ALA 17 HA ALA 17 7.312 3.367 2.416 143 1HB ALA 17 1HB ALA 17 9.249 1.895 2.381 144 2HB ALA 17 2HB ALA 17 8.261 0.608 1.604 145 3HB ALA 17 3HB ALA 17 8.607 2.134 0.719 146 H CYS 18 H CYS 18 5.929 0.170 1.551 147 HA CYS 18 HA CYS 18 4.499 0.933 -0.682 148 1HB CYS 18 1HB CYS 18 4.597 -1.278 1.060 149 2HB CYS 18 2HB CYS 18 2.920 -0.886 0.736 150 H GLN 19 H GLN 19 3.162 0.713 2.615 151 HA GLN 19 HA GLN 19 0.992 2.459 1.880 152 1HB GLN 19 1HB GLN 19 0.189 2.049 4.072 153 2HB GLN 19 2HB GLN 19 0.700 0.553 3.314 154 1HG GLN 19 1HG GLN 19 1.628 0.226 5.342 155 2HG GLN 19 2HG GLN 19 2.940 1.130 4.612 156 1HE2 GLN 19 2HE2 GLN 19 -0.197 1.962 6.129 157 2HE2 GLN 19 1HE2 GLN 19 0.454 3.146 7.240 158 H GLN 20 H GLN 20 3.530 3.760 1.573 159 HA GLN 20 HA GLN 20 3.174 5.972 3.471 160 1HB GLN 20 1HB GLN 20 5.702 4.416 3.171 161 2HB GLN 20 2HB GLN 20 5.732 6.112 3.611 162 1HG GLN 20 1HG GLN 20 3.893 4.375 5.138 163 2HG GLN 20 2HG GLN 20 5.606 4.134 5.413 164 1HE2 GLN 20 2HE2 GLN 20 4.140 4.873 7.541 165 2HE2 GLN 20 1HE2 GLN 20 4.429 6.553 7.931 166 H TRP 21 H TRP 21 5.046 4.749 0.728 167 HA TRP 21 HA TRP 21 5.696 7.155 -0.471 168 1HB TRP 21 1HB TRP 21 6.125 5.992 -2.409 169 2HB TRP 21 2HB TRP 21 6.439 4.856 -1.111 170 HD1 TRP 21 HD TRP 21 5.323 2.556 -1.315 171 HE1 TRP 21 1HE TRP 21 3.475 1.527 -2.790 172 HE3 TRP 21 3HE TRP 21 4.008 6.739 -3.860 173 HZ2 TRP 21 2HZ TRP 21 1.676 2.459 -4.825 174 HZ3 TRP 21 3HZ TRP 21 2.213 6.659 -5.562 175 HH2 TRP 21 HH TRP 21 1.114 4.502 -6.111 176 H ILE 22 H ILE 22 2.672 5.435 -0.363 177 HA ILE 22 HA ILE 22 1.274 6.724 -2.411 178 HB ILE 22 HB ILE 22 0.246 5.776 0.253 179 1HG1 ILE 22 1HG1 ILE 22 0.461 4.352 -2.393 180 2HG1 ILE 22 2HG1 ILE 22 1.460 4.043 -0.987 181 1HG2 ILE 22 1HG2 ILE 22 -1.373 7.250 -0.890 182 2HG2 ILE 22 2HG2 ILE 22 -1.213 6.252 -2.377 183 3HG2 ILE 22 3HG2 ILE 22 -1.938 5.543 -0.892 184 1HD1 ILE 22 1HD1 ILE 22 -0.523 3.315 0.290 185 2HD1 ILE 22 2HD1 ILE 22 -1.547 3.631 -1.154 186 3HD1 ILE 22 3HD1 ILE 22 -0.301 2.337 -1.203 187 H ARG 23 H ARG 23 2.167 7.800 0.771 188 HA ARG 23 HA ARG 23 1.087 10.470 0.196 189 1HB ARG 23 1HB ARG 23 0.782 8.804 2.474 190 2HB ARG 23 2HB ARG 23 1.619 10.274 2.927 191 1HG ARG 23 1HG ARG 23 -0.763 10.643 3.131 192 2HG ARG 23 2HG ARG 23 -0.160 11.584 1.781 193 1HD ARG 23 1HD ARG 23 -0.819 9.509 0.364 194 2HD ARG 23 2HD ARG 23 -1.812 9.089 1.745 195 HE ARG 23 HE ARG 23 -2.632 11.590 1.350 196 1HH1 ARG 23 1HH2 ARG 23 -2.126 9.054 -1.044 197 2HH1 ARG 23 2HH2 ARG 23 -3.347 9.709 -2.111 198 1HH2 ARG 23 1HH1 ARG 23 -4.163 12.363 -0.056 199 2HH2 ARG 23 2HH1 ARG 23 -4.472 11.536 -1.566 200 H GLN 24 H GLN 24 3.794 9.151 -0.453 201 HA GLN 24 HA GLN 24 5.440 11.164 0.945 202 1HB GLN 24 1HB GLN 24 5.927 8.603 0.981 203 2HB GLN 24 2HB GLN 24 6.629 8.930 -0.591 204 1HG GLN 24 1HG GLN 24 8.296 9.033 1.216 205 2HG GLN 24 2HG GLN 24 8.129 10.563 0.382 206 1HE2 GLN 24 2HE2 GLN 24 7.251 12.337 1.440 207 2HE2 GLN 24 1HE2 GLN 24 6.915 12.340 3.156 208 H GLN 25 H GLN 25 4.270 10.107 -2.128 209 HA GLN 25 HA GLN 25 6.146 11.474 -3.753 210 1HB GLN 25 1HB GLN 25 4.041 9.807 -4.180 211 2HB GLN 25 2HB GLN 25 3.400 11.333 -4.752 212 1HG GLN 25 1HG GLN 25 6.094 11.037 -5.664 213 2HG GLN 25 2HG GLN 25 5.187 9.598 -6.080 214 1HE2 GLN 25 2HE2 GLN 25 6.277 11.256 -8.008 215 2HE2 GLN 25 1HE2 GLN 25 4.970 12.010 -8.894 216 H LEU 26 H LEU 26 3.881 12.703 -1.613 217 HA LEU 26 HA LEU 26 3.842 15.325 -2.935 218 1HB LEU 26 1HB LEU 26 1.823 15.141 -0.960 219 2HB LEU 26 2HB LEU 26 1.672 15.436 -2.680 220 HG LEU 26 HG LEU 26 1.841 12.836 -2.836 221 1HD1 LEU 26 1HD1 LEU 26 2.390 12.476 -0.487 222 2HD1 LEU 26 2HD1 LEU 26 0.844 13.259 -0.008 223 3HD1 LEU 26 3HD1 LEU 26 0.823 11.699 -0.901 224 1HD2 LEU 26 1HD2 LEU 26 -0.654 14.239 -1.844 225 2HD2 LEU 26 2HD2 LEU 26 -0.098 14.146 -3.550 226 3HD2 LEU 26 3HD2 LEU 26 -0.606 12.653 -2.690 227 H ALA 27 H ALA 27 3.175 16.980 -0.967 228 HA ALA 27 HA ALA 27 5.498 16.821 0.824 229 1HB ALA 27 1HB ALA 27 5.101 18.864 -0.456 230 2HB ALA 27 2HB ALA 27 3.462 19.000 0.269 231 3HB ALA 27 3HB ALA 27 4.922 19.181 1.304 232 H GLY 28 H GLY 28 2.200 16.000 0.888 233 1HA GLY 28 1HA GLY 28 1.913 16.417 3.787 234 2HA GLY 28 2HA GLY 28 0.661 15.908 2.672 235 H SER 29 H SER 29 1.832 14.797 5.264 236 HA SER 29 HA SER 29 1.486 12.109 5.052 237 1HB SER 29 1HB SER 29 3.139 11.182 3.912 238 2HB SER 29 2HB SER 29 3.923 12.735 3.706 239 HG SER 29 HG SER 29 5.279 11.195 4.686 240 HA PRO 30 HA PRO 30 4.139 12.908 8.829 241 1HB PRO 30 1HB PRO 30 5.531 15.273 9.045 242 2HB PRO 30 2HB PRO 30 6.208 13.770 8.454 243 1HG PRO 30 1HG PRO 30 5.494 16.187 6.947 244 2HG PRO 30 2HG PRO 30 6.534 14.860 6.470 245 1HD PRO 30 1HD PRO 30 3.857 15.316 5.672 246 2HD PRO 30 2HD PRO 30 4.862 13.934 5.286 247 H PHE 31 H PHE 31 3.714 13.947 10.836 248 HA PHE 31 HA PHE 31 1.433 15.852 10.682 249 1HB PHE 31 1HB PHE 31 1.848 14.056 13.005 250 2HB PHE 31 2HB PHE 31 0.356 14.684 12.335 251 HD1 PHE 31 1HD PHE 31 -0.628 13.655 10.272 252 HD2 PHE 31 2HD PHE 31 2.753 11.942 12.333 253 HE1 PHE 31 1HE PHE 31 -1.008 11.491 9.098 254 HE2 PHE 31 2HE PHE 31 2.386 9.786 11.142 255 HZ PHE 31 HZ PHE 31 0.498 9.559 9.537 256 H SER 32 H SER 32 4.430 14.970 12.192 257 HA SER 32 HA SER 32 4.643 17.619 13.415 258 1HB SER 32 1HB SER 32 5.571 16.524 15.495 259 2HB SER 32 2HB SER 32 3.836 16.439 15.274 260 HG SER 32 HG SER 32 4.740 14.421 15.896 261 H GLU 33 H GLU 33 5.821 15.786 11.193 262 HA GLU 33 HA GLU 33 8.558 16.680 11.660 263 1HB GLU 33 1HB GLU 33 7.999 14.157 12.407 264 2HB GLU 33 2HB GLU 33 8.414 13.891 10.726 265 1HG GLU 33 1HG GLU 33 10.594 14.623 11.006 266 2HG GLU 33 2HG GLU 33 10.183 15.652 12.363 267 H ASN 34 H ASN 34 9.531 15.037 9.465 268 HA ASN 34 HA ASN 34 8.014 16.068 7.162 269 1HB ASN 34 1HB ASN 34 10.282 16.454 6.108 270 2HB ASN 34 2HB ASN 34 9.779 17.597 7.336 271 1HD2 ASN 34 2HD2 ASN 34 10.758 17.604 9.360 272 2HD2 ASN 34 1HD2 ASN 34 12.294 16.812 9.636 273 H GLN 35 H GLN 35 8.760 14.977 5.114 274 HA GLN 35 HA GLN 35 8.363 12.298 5.017 275 1HB GLN 35 1HB GLN 35 9.827 12.249 2.999 276 2HB GLN 35 2HB GLN 35 8.627 13.527 2.995 277 1HG GLN 35 1HG GLN 35 11.290 14.204 4.078 278 2HG GLN 35 2HG GLN 35 11.181 13.941 2.349 279 1HE2 GLN 35 2HE2 GLN 35 11.597 16.422 4.058 280 2HE2 GLN 35 1HE2 GLN 35 10.381 17.541 3.486 281 H TRP 36 H TRP 36 9.684 10.391 4.861 282 HA TRP 36 HA TRP 36 11.410 9.967 6.978 283 1HB TRP 36 1HB TRP 36 11.495 8.660 4.282 284 2HB TRP 36 2HB TRP 36 12.193 8.012 5.752 285 HD1 TRP 36 HD TRP 36 8.836 8.518 4.012 286 HE1 TRP 36 1HE TRP 36 7.062 7.069 5.187 287 HE3 TRP 36 3HE TRP 36 11.608 6.933 7.988 288 HZ2 TRP 36 2HZ TRP 36 6.863 5.457 7.573 289 HZ3 TRP 36 3HZ TRP 36 10.615 5.430 9.685 290 HH2 TRP 36 HH TRP 36 8.248 4.704 9.506 291 H GLY 37 H GLY 37 12.136 11.404 3.902 292 1HA GLY 37 1HA GLY 37 14.191 13.009 4.718 293 2HA GLY 37 2HA GLY 37 14.984 11.547 4.169 294 HA PRO 38 HA PRO 38 14.326 12.657 0.014 295 1HB PRO 38 1HB PRO 38 13.044 10.566 -1.226 296 2HB PRO 38 2HB PRO 38 14.751 10.595 -0.833 297 1HG PRO 38 1HG PRO 38 12.590 9.063 0.442 298 2HG PRO 38 2HG PRO 38 14.321 8.800 0.522 299 1HD PRO 38 1HD PRO 38 12.675 10.026 2.490 300 2HD PRO 38 2HD PRO 38 14.418 9.859 2.521 301 H GLN 39 H GLN 39 13.028 14.439 0.011 302 HA GLN 39 HA GLN 39 10.363 14.682 0.634 303 1HB GLN 39 1HB GLN 39 12.305 16.276 -0.605 304 2HB GLN 39 2HB GLN 39 10.917 16.291 -1.673 305 1HG GLN 39 1HG GLN 39 9.515 16.812 0.343 306 2HG GLN 39 2HG GLN 39 11.011 17.054 1.222 307 1HE2 GLN 39 2HE2 GLN 39 10.715 19.198 1.676 308 2HE2 GLN 39 1HE2 GLN 39 10.731 20.434 0.439 309 H GLN 40 H GLN 40 11.601 14.267 -2.689 310 HA GLN 40 HA GLN 40 9.061 13.688 -3.800 311 1HB GLN 40 1HB GLN 40 11.875 13.475 -4.654 312 2HB GLN 40 2HB GLN 40 10.719 12.490 -5.529 313 1HG GLN 40 1HG GLN 40 9.336 14.754 -5.528 314 2HG GLN 40 2HG GLN 40 10.933 15.453 -5.359 315 1HE2 GLN 40 2HE2 GLN 40 11.504 16.245 -7.294 316 2HE2 GLN 40 1HE2 GLN 40 11.396 15.372 -8.806 317 H GLY 41 H GLY 41 11.330 11.701 -2.090 318 1HA GLY 41 1HA GLY 41 11.303 9.523 -1.414 319 2HA GLY 41 2HA GLY 41 9.560 9.591 -1.574 320 HA PRO 42 HA PRO 42 10.963 8.184 -5.851 321 1HB PRO 42 1HB PRO 42 13.657 7.982 -6.415 322 2HB PRO 42 2HB PRO 42 12.649 9.356 -6.827 323 1HG PRO 42 1HG PRO 42 14.700 9.136 -4.735 324 2HG PRO 42 2HG PRO 42 13.985 10.578 -5.427 325 1HD PRO 42 1HD PRO 42 13.371 9.386 -2.923 326 2HD PRO 42 2HD PRO 42 12.587 10.768 -3.661 327 H SER 43 H SER 43 13.565 7.232 -3.604 328 HA SER 43 HA SER 43 13.500 4.468 -4.435 329 1HB SER 43 1HB SER 43 14.754 5.243 -1.867 330 2HB SER 43 2HB SER 43 15.339 4.164 -3.117 331 HG SER 43 HG SER 43 16.546 6.112 -3.005 332 H LEU 44 H LEU 44 11.088 4.437 -4.094 333 HA LEU 44 HA LEU 44 10.521 3.354 -1.421 334 1HB LEU 44 1HB LEU 44 9.508 5.847 -2.470 335 2HB LEU 44 2HB LEU 44 8.210 4.713 -2.155 336 HG LEU 44 HG LEU 44 10.286 5.111 -0.071 337 1HD1 LEU 44 1HD1 LEU 44 9.717 7.410 -0.682 338 2HD1 LEU 44 2HD1 LEU 44 7.971 7.015 -0.511 339 3HD1 LEU 44 3HD1 LEU 44 9.046 6.983 0.930 340 1HD2 LEU 44 1HD2 LEU 44 7.303 4.627 0.034 341 2HD2 LEU 44 2HD2 LEU 44 8.590 3.389 0.249 342 3HD2 LEU 44 3HD2 LEU 44 8.404 4.712 1.452 343 H ARG 45 H ARG 45 9.499 3.884 -4.818 344 HA ARG 45 HA ARG 45 7.546 1.844 -4.870 345 1HB ARG 45 1HB ARG 45 9.317 2.967 -7.013 346 2HB ARG 45 2HB ARG 45 8.071 1.777 -7.335 347 1HG ARG 45 1HG ARG 45 7.705 4.556 -6.245 348 2HG ARG 45 2HG ARG 45 7.136 3.931 -7.779 349 1HD ARG 45 1HD ARG 45 5.960 2.186 -6.062 350 2HD ARG 45 2HD ARG 45 5.976 3.642 -5.085 351 HE ARG 45 HE ARG 45 4.356 4.562 -6.441 352 1HH1 ARG 45 1HH2 ARG 45 5.780 1.808 -8.104 353 2HH1 ARG 45 2HH2 ARG 45 4.615 1.873 -9.406 354 1HH2 ARG 45 1HH1 ARG 45 2.895 4.592 -8.142 355 2HH2 ARG 45 2HH1 ARG 45 3.021 3.411 -9.425 356 H GLU 46 H GLU 46 11.005 1.704 -5.712 357 HA GLU 46 HA GLU 46 11.003 -1.076 -6.312 358 1HB GLU 46 1HB GLU 46 13.032 1.009 -5.800 359 2HB GLU 46 2HB GLU 46 13.546 -0.654 -5.591 360 1HG GLU 46 1HG GLU 46 13.684 -0.925 -7.810 361 2HG GLU 46 2HG GLU 46 12.010 -0.443 -7.999 362 H GLN 47 H GLN 47 11.467 0.745 -3.331 363 HA GLN 47 HA GLN 47 12.199 -1.557 -1.776 364 1HB GLN 47 1HB GLN 47 12.001 1.251 -1.364 365 2HB GLN 47 2HB GLN 47 11.077 0.434 -0.119 366 1HG GLN 47 1HG GLN 47 13.113 -1.093 0.166 367 2HG GLN 47 2HG GLN 47 13.989 0.079 -0.800 368 1HE2 GLN 47 2HE2 GLN 47 11.611 0.177 1.882 369 2HE2 GLN 47 1HE2 GLN 47 12.505 1.324 2.854 370 H CYS 48 H CYS 48 9.125 0.128 -2.449 371 HA CYS 48 HA CYS 48 7.562 -1.439 -0.621 372 1HB CYS 48 1HB CYS 48 6.482 0.476 -1.150 373 2HB CYS 48 2HB CYS 48 7.072 0.475 -2.801 374 H CYS 49 H CYS 49 8.492 -1.712 -4.042 375 HA CYS 49 HA CYS 49 6.899 -4.043 -4.511 376 1HB CYS 49 1HB CYS 49 8.405 -2.345 -6.058 377 2HB CYS 49 2HB CYS 49 9.276 -3.865 -6.125 378 H ASN 50 H ASN 50 9.406 -3.637 -2.428 379 HA ASN 50 HA ASN 50 10.267 -6.458 -2.620 380 1HB ASN 50 1HB ASN 50 11.861 -4.234 -2.735 381 2HB ASN 50 2HB ASN 50 11.920 -4.642 -1.031 382 1HD2 ASN 50 2HD2 ASN 50 11.785 -6.466 -4.094 383 2HD2 ASN 50 1HD2 ASN 50 13.143 -7.508 -3.733 384 H GLU 51 H GLU 51 9.403 -3.798 -0.474 385 HA GLU 51 HA GLU 51 9.425 -5.348 1.927 386 1HB GLU 51 1HB GLU 51 9.254 -3.354 2.898 387 2HB GLU 51 2HB GLU 51 9.300 -2.649 1.295 388 1HG GLU 51 1HG GLU 51 6.894 -2.652 1.174 389 2HG GLU 51 2HG GLU 51 6.785 -3.497 2.705 390 H LEU 52 H LEU 52 7.200 -4.974 -0.682 391 HA LEU 52 HA LEU 52 5.052 -6.112 0.974 392 1HB LEU 52 1HB LEU 52 3.621 -5.041 -0.327 393 2HB LEU 52 2HB LEU 52 5.028 -4.102 -0.784 394 HG LEU 52 HG LEU 52 3.949 -4.557 -2.772 395 1HD1 LEU 52 1HD1 LEU 52 6.325 -5.094 -3.056 396 2HD1 LEU 52 2HD1 LEU 52 5.979 -6.796 -2.591 397 3HD1 LEU 52 3HD1 LEU 52 5.280 -6.117 -4.102 398 1HD2 LEU 52 1HD2 LEU 52 3.610 -7.385 -1.776 399 2HD2 LEU 52 2HD2 LEU 52 2.341 -6.115 -1.872 400 3HD2 LEU 52 3HD2 LEU 52 3.068 -6.777 -3.377 401 H TYR 53 H TYR 53 7.510 -6.998 -1.172 402 HA TYR 53 HA TYR 53 6.152 -9.458 -2.073 403 1HB TYR 53 1HB TYR 53 7.737 -7.566 -3.353 404 2HB TYR 53 2HB TYR 53 8.781 -8.958 -3.143 405 HD1 TYR 53 1HD TYR 53 7.418 -11.290 -3.673 406 HD2 TYR 53 2HD TYR 53 6.739 -7.414 -5.442 407 HE1 TYR 53 1HE TYR 53 6.506 -12.373 -5.716 408 HE2 TYR 53 2HE TYR 53 5.794 -8.509 -7.468 409 HH TYR 53 HH TYR 53 5.166 -10.484 -8.399 410 H GLN 54 H GLN 54 7.582 -8.622 0.570 411 HA GLN 54 HA GLN 54 9.614 -10.738 0.677 412 1HB GLN 54 1HB GLN 54 10.076 -9.748 2.932 413 2HB GLN 54 2HB GLN 54 10.388 -8.691 1.569 414 1HG GLN 54 1HG GLN 54 8.389 -7.468 1.951 415 2HG GLN 54 2HG GLN 54 7.826 -8.639 3.126 416 1HE2 GLN 54 2HE2 GLN 54 7.819 -5.983 3.799 417 2HE2 GLN 54 1HE2 GLN 54 9.093 -5.651 4.950 418 H GLU 55 H GLU 55 6.464 -9.830 1.929 419 HA GLU 55 HA GLU 55 6.406 -12.077 3.760 420 1HB GLU 55 1HB GLU 55 4.339 -10.047 3.007 421 2HB GLU 55 2HB GLU 55 4.109 -11.293 4.216 422 1HG GLU 55 1HG GLU 55 6.274 -10.310 5.261 423 2HG GLU 55 2HG GLU 55 5.883 -8.900 4.297 424 H ASP 56 H ASP 56 6.618 -12.352 0.699 425 HA ASP 56 HA ASP 56 6.014 -14.020 -0.758 426 1HB ASP 56 1HB ASP 56 5.327 -15.223 1.484 427 2HB ASP 56 2HB ASP 56 3.705 -14.878 0.917 428 H GLN 57 H GLN 57 3.684 -14.796 -1.796 429 HA GLN 57 HA GLN 57 2.375 -12.361 -2.672 430 1HB GLN 57 1HB GLN 57 2.493 -15.199 -3.497 431 2HB GLN 57 2HB GLN 57 1.077 -14.278 -3.965 432 1HG GLN 57 1HG GLN 57 3.153 -14.334 -5.534 433 2HG GLN 57 2HG GLN 57 2.291 -12.830 -5.290 434 1HE2 GLN 57 2HE2 GLN 57 3.298 -11.109 -4.225 435 2HE2 GLN 57 1HE2 GLN 57 4.981 -11.156 -3.746 436 H VAL 58 H VAL 58 1.757 -14.961 -0.492 437 HA VAL 58 HA VAL 58 -1.080 -14.568 -0.351 438 HB VAL 58 HB VAL 58 0.327 -15.727 1.953 439 1HG1 VAL 58 1HG1 VAL 58 -2.123 -15.712 1.787 440 2HG1 VAL 58 2HG1 VAL 58 -2.021 -16.575 0.213 441 3HG1 VAL 58 3HG1 VAL 58 -1.499 -17.397 1.723 442 1HG2 VAL 58 1HG2 VAL 58 0.318 -17.099 -0.767 443 2HG2 VAL 58 2HG2 VAL 58 1.776 -16.521 0.114 444 3HG2 VAL 58 3HG2 VAL 58 0.788 -17.864 0.790 445 H CYS 59 H CYS 59 1.528 -12.790 0.676 446 HA CYS 59 HA CYS 59 -0.090 -11.282 2.597 447 1HB CYS 59 1HB CYS 59 2.857 -11.456 2.439 448 2HB CYS 59 2HB CYS 59 1.928 -10.496 3.572 449 H VAL 60 H VAL 60 0.021 -11.170 -0.374 450 HA VAL 60 HA VAL 60 0.891 -8.367 -0.687 451 HB VAL 60 HB VAL 60 0.524 -10.656 -2.514 452 1HG1 VAL 60 1HG1 VAL 60 -0.925 -8.978 -3.518 453 2HG1 VAL 60 2HG1 VAL 60 0.401 -7.769 -3.415 454 3HG1 VAL 60 3HG1 VAL 60 0.568 -9.199 -4.495 455 1HG2 VAL 60 1HG2 VAL 60 2.622 -8.507 -2.207 456 2HG2 VAL 60 2HG2 VAL 60 2.713 -10.194 -1.595 457 3HG2 VAL 60 3HG2 VAL 60 2.698 -9.880 -3.365 458 H CYS 61 H CYS 61 -1.885 -10.367 -0.397 459 HA CYS 61 HA CYS 61 -3.606 -8.222 -0.066 460 1HB CYS 61 1HB CYS 61 -3.126 -8.492 -2.745 461 2HB CYS 61 2HB CYS 61 -4.637 -9.350 -2.514 462 HA PRO 62 HA PRO 62 -5.679 -7.909 0.078 463 1HB PRO 62 1HB PRO 62 -7.378 -7.897 2.194 464 2HB PRO 62 2HB PRO 62 -7.854 -8.229 0.540 465 1HG PRO 62 1HG PRO 62 -7.550 -10.095 2.792 466 2HG PRO 62 2HG PRO 62 -8.453 -10.299 1.304 467 1HD PRO 62 1HD PRO 62 -5.887 -11.387 1.936 468 2HD PRO 62 2HD PRO 62 -6.756 -11.529 0.421 469 H THR 63 H THR 63 -3.643 -9.548 1.774 470 HA THR 63 HA THR 63 -3.070 -8.379 4.159 471 HB THR 63 HB THR 63 -0.739 -8.704 2.461 472 HG1 THR 63 1HG THR 63 -1.254 -10.930 2.071 473 1HG2 THR 63 1HG2 THR 63 -0.710 -8.942 4.934 474 2HG2 THR 63 2HG2 THR 63 -1.844 -10.328 4.773 475 3HG2 THR 63 3HG2 THR 63 -0.183 -10.441 4.092 476 H LEU 64 H LEU 64 -2.351 -6.999 0.946 477 HA LEU 64 HA LEU 64 -1.292 -4.569 2.107 478 1HB LEU 64 1HB LEU 64 -1.706 -5.716 -0.512 479 2HB LEU 64 2HB LEU 64 -2.080 -4.005 -0.468 480 HG LEU 64 HG LEU 64 0.374 -4.553 0.919 481 1HD1 LEU 64 1HD1 LEU 64 0.553 -6.457 -0.587 482 2HD1 LEU 64 2HD1 LEU 64 0.246 -5.370 -1.984 483 3HD1 LEU 64 3HD1 LEU 64 1.744 -5.178 -1.010 484 1HD2 LEU 64 1HD2 LEU 64 -0.269 -2.922 -1.556 485 2HD2 LEU 64 2HD2 LEU 64 -0.316 -2.334 0.143 486 3HD2 LEU 64 3HD2 LEU 64 1.249 -2.818 -0.597 487 H LYS 65 H LYS 65 -4.489 -5.620 0.971 488 HA LYS 65 HA LYS 65 -5.853 -3.202 1.029 489 1HB LYS 65 1HB LYS 65 -6.816 -5.364 0.346 490 2HB LYS 65 2HB LYS 65 -6.904 -5.826 2.033 491 1HG LYS 65 1HG LYS 65 -8.604 -4.337 2.493 492 2HG LYS 65 2HG LYS 65 -8.164 -3.269 1.176 493 1HD LYS 65 1HD LYS 65 -10.123 -4.259 0.396 494 2HD LYS 65 2HD LYS 65 -8.875 -5.236 -0.350 495 1HE LYS 65 1HE LYS 65 -9.125 -6.923 1.400 496 2HE LYS 65 2HE LYS 65 -10.337 -5.939 2.194 497 1HZ LYS 65 1HZ LYS 65 -11.704 -6.141 0.249 498 2HZ LYS 65 2HZ LYS 65 -10.558 -7.072 -0.501 499 3HZ LYS 65 3HZ LYS 65 -11.331 -7.638 0.850 500 H GLN 66 H GLN 66 -4.402 -4.868 3.713 501 HA GLN 66 HA GLN 66 -5.857 -3.345 5.694 502 1HB GLN 66 1HB GLN 66 -4.335 -5.676 5.673 503 2HB GLN 66 2HB GLN 66 -3.464 -4.540 6.685 504 1HG GLN 66 1HG GLN 66 -5.035 -4.586 8.294 505 2HG GLN 66 2HG GLN 66 -6.351 -4.554 7.137 506 1HE2 GLN 66 2HE2 GLN 66 -3.899 -6.648 8.592 507 2HE2 GLN 66 1HE2 GLN 66 -4.829 -8.126 8.471 508 H ALA 67 H ALA 67 -2.454 -3.444 4.628 509 HA ALA 67 HA ALA 67 -1.707 -1.081 5.991 510 1HB ALA 67 1HB ALA 67 -0.090 -2.737 5.255 511 2HB ALA 67 2HB ALA 67 -0.521 -2.410 3.541 512 3HB ALA 67 3HB ALA 67 0.281 -1.137 4.524 513 H ALA 68 H ALA 68 -3.803 -1.424 3.371 514 HA ALA 68 HA ALA 68 -3.226 1.202 2.206 515 1HB ALA 68 1HB ALA 68 -3.624 -0.694 0.697 516 2HB ALA 68 2HB ALA 68 -5.222 -0.964 1.475 517 3HB ALA 68 3HB ALA 68 -4.920 0.541 0.538 518 H LYS 69 H LYS 69 -5.931 -0.593 3.746 519 HA LYS 69 HA LYS 69 -7.596 1.704 3.980 520 1HB LYS 69 1HB LYS 69 -9.064 0.339 5.035 521 2HB LYS 69 2HB LYS 69 -8.062 -0.858 4.240 522 1HG LYS 69 1HG LYS 69 -6.738 -0.521 6.600 523 2HG LYS 69 2HG LYS 69 -8.404 -0.292 7.098 524 1HD LYS 69 1HD LYS 69 -7.784 -2.607 5.364 525 2HD LYS 69 2HD LYS 69 -7.270 -2.679 7.039 526 1HE LYS 69 1HE LYS 69 -10.079 -1.990 6.282 527 2HE LYS 69 2HE LYS 69 -9.552 -3.648 6.480 528 1HZ LYS 69 1HZ LYS 69 -8.842 -3.109 8.692 529 2HZ LYS 69 2HZ LYS 69 -9.342 -1.541 8.505 530 3HZ LYS 69 3HZ LYS 69 -10.453 -2.769 8.504 531 H SER 70 H SER 70 -4.749 0.892 5.599 532 HA SER 70 HA SER 70 -5.303 2.840 7.763 533 1HB SER 70 1HB SER 70 -4.641 0.288 8.173 534 2HB SER 70 2HB SER 70 -3.035 0.957 7.967 535 HG SER 70 HG SER 70 -3.734 1.018 10.150 536 H VAL 71 H VAL 71 -3.759 2.402 4.856 537 HA VAL 71 HA VAL 71 -1.232 3.340 5.000 538 HB VAL 71 HB VAL 71 -3.044 3.056 3.001 539 1HG1 VAL 71 1HG1 VAL 71 -3.858 5.330 3.182 540 2HG1 VAL 71 2HG1 VAL 71 -2.175 5.939 3.003 541 3HG1 VAL 71 3HG1 VAL 71 -2.967 5.074 1.640 542 1HG2 VAL 71 1HG2 VAL 71 -0.321 4.304 2.779 543 2HG2 VAL 71 2HG2 VAL 71 -0.693 2.545 2.801 544 3HG2 VAL 71 3HG2 VAL 71 -1.264 3.569 1.437 545 H ARG 72 H ARG 72 -4.142 5.327 5.187 546 HA ARG 72 HA ARG 72 -2.618 7.419 6.592 547 1HB ARG 72 1HB ARG 72 -3.894 7.619 4.004 548 2HB ARG 72 2HB ARG 72 -4.615 8.725 5.156 549 1HG ARG 72 1HG ARG 72 -2.698 9.700 3.898 550 2HG ARG 72 2HG ARG 72 -2.481 9.715 5.637 551 1HD ARG 72 1HD ARG 72 -1.454 7.316 4.305 552 2HD ARG 72 2HD ARG 72 -0.640 8.800 3.857 553 HE ARG 72 HE ARG 72 -0.879 8.715 6.675 554 1HH1 ARG 72 1HH2 ARG 72 1.003 7.318 4.077 555 2HH1 ARG 72 2HH2 ARG 72 2.296 6.826 5.146 556 1HH2 ARG 72 1HH1 ARG 72 0.753 7.968 8.019 557 2HH2 ARG 72 2HH1 ARG 72 2.158 7.187 7.331 558 H VAL 73 H VAL 73 -3.766 8.600 8.048 559 HA VAL 73 HA VAL 73 -6.591 8.131 8.475 560 HB VAL 73 HB VAL 73 -4.552 6.843 10.265 561 1HG1 VAL 73 1HG1 VAL 73 -5.987 8.178 11.765 562 2HG1 VAL 73 2HG1 VAL 73 -7.440 7.434 11.014 563 3HG1 VAL 73 3HG1 VAL 73 -6.295 6.417 11.956 564 1HG2 VAL 73 1HG2 VAL 73 -7.154 5.852 9.063 565 2HG2 VAL 73 2HG2 VAL 73 -5.498 5.443 8.492 566 3HG2 VAL 73 3HG2 VAL 73 -6.053 4.892 10.113 567 H GLN 74 H GLN 74 -5.927 10.459 7.923 568 HA GLN 74 HA GLN 74 -6.491 12.207 9.883 569 1HB GLN 74 1HB GLN 74 -3.715 11.325 10.268 570 2HB GLN 74 2HB GLN 74 -3.932 13.065 10.247 571 1HG GLN 74 1HG GLN 74 -6.033 11.927 11.809 572 2HG GLN 74 2HG GLN 74 -4.517 11.244 12.362 573 1HE2 GLN 74 2HE2 GLN 74 -4.667 12.283 14.351 574 2HE2 GLN 74 1HE2 GLN 74 -4.378 14.003 14.503 575 H GLY 75 H GLY 75 -5.560 14.476 9.537 576 1HA GLY 75 1HA GLY 75 -4.759 16.128 8.065 577 2HA GLY 75 2HA GLY 75 -4.678 14.948 6.773 578 H GLN 76 H GLN 76 -5.905 17.612 6.777 579 HA GLN 76 HA GLN 76 -8.735 17.437 6.925 580 1HB GLN 76 1HB GLN 76 -8.740 19.564 5.797 581 2HB GLN 76 2HB GLN 76 -7.465 19.535 6.998 582 1HG GLN 76 1HG GLN 76 -6.159 18.631 4.770 583 2HG GLN 76 2HG GLN 76 -7.286 19.783 4.084 584 1HE2 GLN 76 2HE2 GLN 76 -6.988 21.944 4.365 585 2HE2 GLN 76 1HE2 GLN 76 -5.610 22.616 5.205 586 H HIS 77 H HIS 77 -9.164 15.379 5.867 587 HA HIS 77 HA HIS 77 -8.943 15.502 2.912 588 1HB HIS 77 1HB HIS 77 -8.934 13.176 4.813 589 2HB HIS 77 2HB HIS 77 -9.221 12.981 3.095 590 HD1 HIS 77 1HD HIS 77 -6.759 15.650 3.638 591 HD2 HIS 77 2HD HIS 77 -6.778 11.434 3.372 592 HE1 HIS 77 1HE HIS 77 -4.322 14.942 3.219 593 HE2 HIS 77 2HE HIS 77 -4.348 12.374 3.070 594 H GLY 78 H GLY 78 -10.774 16.876 2.866 595 1HA GLY 78 1HA GLY 78 -13.252 16.638 3.922 596 2HA GLY 78 2HA GLY 78 -13.003 17.017 2.229 597 HA PRO 79 HA PRO 79 -14.702 13.125 1.140 598 1HB PRO 79 1HB PRO 79 -13.075 12.165 -0.852 599 2HB PRO 79 2HB PRO 79 -14.284 13.415 -1.065 600 1HG PRO 79 1HG PRO 79 -11.356 13.668 -0.986 601 2HG PRO 79 2HG PRO 79 -12.541 14.779 -1.640 602 1HD PRO 79 1HD PRO 79 -11.201 14.970 0.865 603 2HD PRO 79 2HD PRO 79 -12.462 16.024 0.255 604 H PHE 80 H PHE 80 -13.729 10.696 0.317 605 HA PHE 80 HA PHE 80 -12.651 9.652 2.808 606 1HB PHE 80 1HB PHE 80 -14.253 8.765 0.638 607 2HB PHE 80 2HB PHE 80 -12.871 7.697 0.767 608 HD1 PHE 80 1HD PHE 80 -12.824 5.985 2.352 609 HD2 PHE 80 2HD PHE 80 -15.556 9.291 2.825 610 HE1 PHE 80 1HE PHE 80 -13.913 4.814 4.262 611 HE2 PHE 80 2HE PHE 80 -16.642 8.117 4.737 612 HZ PHE 80 HZ PHE 80 -15.824 5.880 5.448 613 H GLN 81 H GLN 81 -10.420 9.539 3.163 614 HA GLN 81 HA GLN 81 -8.393 10.038 1.460 615 1HB GLN 81 1HB GLN 81 -7.025 8.440 2.708 616 2HB GLN 81 2HB GLN 81 -8.044 9.404 3.757 617 1HG GLN 81 1HG GLN 81 -8.687 7.462 4.677 618 2HG GLN 81 2HG GLN 81 -9.624 7.216 3.218 619 1HE2 GLN 81 2HE2 GLN 81 -9.157 5.502 1.904 620 2HE2 GLN 81 1HE2 GLN 81 -7.778 4.448 2.127 621 H SER 82 H SER 82 -10.196 6.969 1.420 622 HA SER 82 HA SER 82 -8.798 5.424 -0.348 623 1HB SER 82 1HB SER 82 -10.898 4.802 0.793 624 2HB SER 82 2HB SER 82 -11.778 5.803 -0.345 625 HG SER 82 HG SER 82 -11.729 3.610 -0.963 626 H THR 83 H THR 83 -11.090 7.988 -1.197 627 HA THR 83 HA THR 83 -11.197 7.994 -3.886 628 HB THR 83 HB THR 83 -11.342 10.377 -3.799 629 HG1 THR 83 1HG THR 83 -10.650 11.496 -1.911 630 1HG2 THR 83 1HG2 THR 83 -13.238 9.179 -2.822 631 2HG2 THR 83 2HG2 THR 83 -12.414 9.181 -1.223 632 3HG2 THR 83 3HG2 THR 83 -12.952 10.732 -1.960 633 H ARG 84 H ARG 84 -8.321 8.985 -2.042 634 HA ARG 84 HA ARG 84 -6.772 8.972 -4.552 635 1HB ARG 84 1HB ARG 84 -6.938 10.940 -2.726 636 2HB ARG 84 2HB ARG 84 -5.560 10.051 -2.109 637 1HG ARG 84 1HG ARG 84 -4.549 11.502 -3.610 638 2HG ARG 84 2HG ARG 84 -4.772 10.067 -4.592 639 1HD ARG 84 1HD ARG 84 -7.137 11.445 -4.927 640 2HD ARG 84 2HD ARG 84 -5.929 12.714 -4.891 641 HE ARG 84 HE ARG 84 -4.803 10.967 -6.616 642 1HH1 ARG 84 1HH2 ARG 84 -8.047 12.287 -6.485 643 2HH1 ARG 84 2HH2 ARG 84 -8.278 12.148 -8.213 644 1HH2 ARG 84 1HH1 ARG 84 -5.150 10.800 -8.822 645 2HH2 ARG 84 2HH1 ARG 84 -6.671 11.323 -9.509 646 H ILE 85 H ILE 85 -6.687 7.908 -1.190 647 HA ILE 85 HA ILE 85 -4.336 6.495 -1.138 648 HB ILE 85 HB ILE 85 -6.920 6.002 0.268 649 1HG1 ILE 85 1HG1 ILE 85 -5.998 8.061 0.901 650 2HG1 ILE 85 2HG1 ILE 85 -5.613 6.936 2.188 651 1HG2 ILE 85 1HG2 ILE 85 -5.739 3.876 0.162 652 2HG2 ILE 85 2HG2 ILE 85 -4.249 4.671 0.779 653 3HG2 ILE 85 3HG2 ILE 85 -5.699 4.541 1.833 654 1HD1 ILE 85 1HD1 ILE 85 -3.340 6.697 1.330 655 2HD1 ILE 85 2HD1 ILE 85 -3.734 7.852 0.010 656 3HD1 ILE 85 3HD1 ILE 85 -3.734 8.407 1.719 657 H TYR 86 H TYR 86 -7.547 5.120 -1.811 658 HA TYR 86 HA TYR 86 -6.530 2.672 -2.842 659 1HB TYR 86 1HB TYR 86 -9.104 4.140 -2.878 660 2HB TYR 86 2HB TYR 86 -8.894 2.746 -3.917 661 HD1 TYR 86 1HD TYR 86 -9.990 0.911 -3.124 662 HD2 TYR 86 2HD TYR 86 -8.016 3.553 -0.353 663 HE1 TYR 86 1HE TYR 86 -10.567 -0.624 -1.254 664 HE2 TYR 86 2HE TYR 86 -8.742 2.114 1.545 665 HH TYR 86 HH TYR 86 -9.719 0.200 2.116 666 H GLN 87 H GLN 87 -7.570 5.734 -4.438 667 HA GLN 87 HA GLN 87 -7.338 4.830 -7.077 668 1HB GLN 87 1HB GLN 87 -7.309 7.395 -5.684 669 2HB GLN 87 2HB GLN 87 -6.511 7.402 -7.244 670 1HG GLN 87 1HG GLN 87 -9.284 6.302 -6.910 671 2HG GLN 87 2HG GLN 87 -8.995 8.003 -7.216 672 1HE2 GLN 87 2HE2 GLN 87 -8.235 8.643 -9.333 673 2HE2 GLN 87 1HE2 GLN 87 -7.919 7.463 -10.585 674 H ILE 88 H ILE 88 -4.840 5.358 -4.787 675 HA ILE 88 HA ILE 88 -2.761 5.153 -6.877 676 HB ILE 88 HB ILE 88 -2.744 6.361 -4.133 677 1HG1 ILE 88 1HG1 ILE 88 -1.814 7.755 -6.591 678 2HG1 ILE 88 2HG1 ILE 88 -3.539 7.523 -6.393 679 1HG2 ILE 88 1HG2 ILE 88 -0.649 5.115 -4.439 680 2HG2 ILE 88 2HG2 ILE 88 -0.401 5.942 -6.016 681 3HG2 ILE 88 3HG2 ILE 88 -0.364 6.890 -4.490 682 1HD1 ILE 88 1HD1 ILE 88 -3.454 8.607 -4.174 683 2HD1 ILE 88 2HD1 ILE 88 -1.682 8.845 -4.377 684 3HD1 ILE 88 3HD1 ILE 88 -2.836 9.699 -5.461 685 H ALA 89 H ALA 89 -4.282 3.606 -4.225 686 HA ALA 89 HA ALA 89 -2.163 1.621 -3.974 687 1HB ALA 89 1HB ALA 89 -2.991 2.516 -1.893 688 2HB ALA 89 2HB ALA 89 -4.668 2.050 -2.341 689 3HB ALA 89 3HB ALA 89 -3.434 0.779 -2.037 690 H LYS 90 H LYS 90 -4.461 2.100 -6.105 691 HA LYS 90 HA LYS 90 -5.525 -0.628 -6.192 692 1HB LYS 90 1HB LYS 90 -7.148 0.191 -7.754 693 2HB LYS 90 2HB LYS 90 -7.135 1.216 -6.332 694 1HG LYS 90 1HG LYS 90 -7.079 2.883 -7.852 695 2HG LYS 90 2HG LYS 90 -5.366 2.525 -7.899 696 1HD LYS 90 1HD LYS 90 -5.506 1.461 -9.932 697 2HD LYS 90 2HD LYS 90 -7.137 0.892 -9.639 698 1HE LYS 90 1HE LYS 90 -6.933 2.643 -11.389 699 2HE LYS 90 2HE LYS 90 -8.051 3.010 -10.091 700 1HZ LYS 90 1HZ LYS 90 -6.387 4.385 -9.111 701 2HZ LYS 90 2HZ LYS 90 -5.330 4.037 -10.339 702 3HZ LYS 90 3HZ LYS 90 -6.720 4.879 -10.656 703 H ASN 91 H ASN 91 -3.662 1.725 -8.022 704 HA ASN 91 HA ASN 91 -3.035 -0.228 -10.091 705 1HB ASN 91 1HB ASN 91 -2.810 2.655 -9.735 706 2HB ASN 91 2HB ASN 91 -1.413 1.936 -10.508 707 1HD2 ASN 91 2HD2 ASN 91 -4.518 3.123 -10.935 708 2HD2 ASN 91 1HD2 ASN 91 -4.814 2.515 -12.546 709 H LEU 92 H LEU 92 -2.168 -0.329 -7.080 710 HA LEU 92 HA LEU 92 0.705 -0.214 -7.197 711 1HB LEU 92 1HB LEU 92 -1.370 -0.779 -5.250 712 2HB LEU 92 2HB LEU 92 0.025 -1.826 -5.069 713 HG LEU 92 HG LEU 92 0.275 1.135 -5.290 714 1HD1 LEU 92 1HD1 LEU 92 -1.216 0.689 -3.411 715 2HD1 LEU 92 2HD1 LEU 92 -0.042 -0.508 -2.764 716 3HD1 LEU 92 3HD1 LEU 92 0.394 1.234 -2.827 717 1HD2 LEU 92 1HD2 LEU 92 2.105 -1.000 -4.146 718 2HD2 LEU 92 2HD2 LEU 92 2.322 -0.144 -5.714 719 3HD2 LEU 92 3HD2 LEU 92 2.442 0.766 -4.168 720 HA PRO 93 HA PRO 93 0.491 -4.924 -7.612 721 1HB PRO 93 1HB PRO 93 -1.947 -6.165 -7.890 722 2HB PRO 93 2HB PRO 93 -1.092 -5.989 -6.371 723 1HG PRO 93 1HG PRO 93 -3.495 -4.580 -7.314 724 2HG PRO 93 2HG PRO 93 -2.881 -4.738 -5.679 725 1HD PRO 93 1HD PRO 93 -2.635 -2.498 -7.410 726 2HD PRO 93 2HD PRO 93 -1.960 -2.684 -5.804 727 H ASN 94 H ASN 94 -1.106 -2.684 -9.496 728 HA ASN 94 HA ASN 94 -1.314 -4.355 -11.894 729 1HB ASN 94 1HB ASN 94 -1.883 -1.496 -11.206 730 2HB ASN 94 2HB ASN 94 -1.820 -2.017 -12.877 731 1HD2 ASN 94 2HD2 ASN 94 -3.544 -2.206 -9.855 732 2HD2 ASN 94 1HD2 ASN 94 -4.954 -3.034 -10.476 733 H VAL 95 H VAL 95 0.804 -1.977 -10.423 734 HA VAL 95 HA VAL 95 2.547 -2.027 -12.819 735 HB VAL 95 HB VAL 95 2.668 -0.060 -10.567 736 1HG1 VAL 95 1HG1 VAL 95 4.702 -0.211 -11.931 737 2HG1 VAL 95 2HG1 VAL 95 3.717 0.029 -13.416 738 3HG1 VAL 95 3HG1 VAL 95 3.860 1.353 -12.208 739 1HG2 VAL 95 1HG2 VAL 95 1.165 0.232 -13.195 740 2HG2 VAL 95 2HG2 VAL 95 0.423 0.107 -11.562 741 3HG2 VAL 95 3HG2 VAL 95 1.424 1.538 -11.987 742 H CYS 96 H CYS 96 2.185 -3.216 -9.711 743 HA CYS 96 HA CYS 96 5.003 -4.070 -9.652 744 1HB CYS 96 1HB CYS 96 3.502 -2.612 -7.630 745 2HB CYS 96 2HB CYS 96 4.223 -4.086 -7.016 746 H ASN 97 H ASN 97 2.782 -5.391 -10.926 747 HA ASN 97 HA ASN 97 1.261 -7.234 -9.844 748 1HB ASN 97 1HB ASN 97 3.275 -7.532 -11.991 749 2HB ASN 97 2HB ASN 97 2.470 -8.977 -11.415 750 1HD2 ASN 97 2HD2 ASN 97 1.907 -5.716 -12.631 751 2HD2 ASN 97 1HD2 ASN 97 0.376 -6.067 -13.399 752 H MET 98 H MET 98 1.469 -7.952 -7.838 753 HA MET 98 HA MET 98 3.850 -9.577 -7.242 754 1HB MET 98 1HB MET 98 3.785 -8.751 -4.912 755 2HB MET 98 2HB MET 98 4.214 -7.525 -6.088 756 1HG MET 98 1HG MET 98 1.404 -7.543 -5.847 757 2HG MET 98 2HG MET 98 2.074 -7.534 -4.228 758 1HE MET 98 1HE MET 98 0.205 -5.230 -5.060 759 2HE MET 98 2HE MET 98 1.105 -5.261 -3.504 760 3HE MET 98 3HE MET 98 1.146 -3.789 -4.537 761 H LYS 99 H LYS 99 1.043 -10.110 -8.163 762 HA LYS 99 HA LYS 99 0.599 -12.310 -6.333 763 1HB LYS 99 1HB LYS 99 -0.616 -10.767 -5.074 764 2HB LYS 99 2HB LYS 99 -1.259 -9.976 -6.500 765 1HG LYS 99 1HG LYS 99 -2.100 -12.650 -6.644 766 2HG LYS 99 2HG LYS 99 -2.363 -12.145 -4.986 767 1HD LYS 99 1HD LYS 99 -4.315 -11.321 -5.806 768 2HD LYS 99 2HD LYS 99 -3.313 -9.978 -6.318 769 1HE LYS 99 1HE LYS 99 -3.359 -12.216 -8.204 770 2HE LYS 99 2HE LYS 99 -4.916 -11.448 -7.971 771 1HZ LYS 99 1HZ LYS 99 -3.904 -9.352 -8.488 772 2HZ LYS 99 2HZ LYS 99 -2.432 -10.078 -8.708 773 3HZ LYS 99 3HZ LYS 99 -3.687 -10.421 -9.734 774 H GLN 100 H GLN 100 0.956 -13.702 -7.976 775 HA GLN 100 HA GLN 100 -0.801 -13.368 -10.332 776 1HB GLN 100 1HB GLN 100 1.850 -13.719 -10.318 777 2HB GLN 100 2HB GLN 100 1.330 -15.389 -10.400 778 1HG GLN 100 1HG GLN 100 -0.265 -13.836 -12.199 779 2HG GLN 100 2HG GLN 100 1.425 -13.493 -12.505 780 1HE2 GLN 100 2HE2 GLN 100 -0.481 -16.414 -11.638 781 2HE2 GLN 100 1HE2 GLN 100 0.191 -17.420 -12.902 782 H ILE 101 H ILE 101 -2.139 -14.139 -8.131 783 HA ILE 101 HA ILE 101 -2.672 -16.992 -8.658 784 HB ILE 101 HB ILE 101 -1.623 -17.363 -6.705 785 1HG1 ILE 101 1HG1 ILE 101 -3.202 -17.587 -4.860 786 2HG1 ILE 101 2HG1 ILE 101 -4.317 -16.510 -5.677 787 1HG2 ILE 101 1HG2 ILE 101 -0.857 -15.080 -6.293 788 2HG2 ILE 101 2HG2 ILE 101 -2.480 -14.648 -5.654 789 3HG2 ILE 101 3HG2 ILE 101 -1.454 -15.834 -4.774 790 1HD1 ILE 101 1HD1 ILE 101 -4.502 -18.098 -7.572 791 2HD1 ILE 101 2HD1 ILE 101 -3.358 -19.204 -6.733 792 3HD1 ILE 101 3HD1 ILE 101 -4.974 -18.873 -6.019 793 H GLY 102 H GLY 102 -3.896 -14.129 -6.914 794 1HA GLY 102 1HA GLY 102 -6.011 -13.153 -7.755 795 2HA GLY 102 2HA GLY 102 -6.585 -14.789 -8.009 796 H THR 103 H THR 103 -4.974 -13.090 -5.307 797 HA THR 103 HA THR 103 -6.877 -14.323 -3.449 798 HB THR 103 HB THR 103 -4.507 -14.358 -2.895 799 HG1 THR 103 1HG THR 103 -4.862 -13.472 -0.809 800 1HG2 THR 103 1HG2 THR 103 -3.805 -12.207 -3.944 801 2HG2 THR 103 2HG2 THR 103 -4.751 -11.332 -2.690 802 3HG2 THR 103 3HG2 THR 103 -3.323 -12.316 -2.214 803 H CYS 104 H CYS 104 -5.728 -11.017 -4.158 804 HA CYS 104 HA CYS 104 -8.400 -9.942 -3.762 805 1HB CYS 104 1HB CYS 104 -8.000 -9.469 -1.644 806 2HB CYS 104 2HB CYS 104 -6.267 -9.656 -1.824 807 HA PRO 105 HA PRO 105 -5.978 -8.130 -7.141 808 1HB PRO 105 1HB PRO 105 -7.907 -8.453 -9.087 809 2HB PRO 105 2HB PRO 105 -6.587 -9.568 -8.797 810 1HG PRO 105 1HG PRO 105 -9.438 -9.876 -8.148 811 2HG PRO 105 2HG PRO 105 -8.195 -11.107 -8.252 812 1HD PRO 105 1HD PRO 105 -9.291 -9.970 -5.886 813 2HD PRO 105 2HD PRO 105 -7.968 -11.115 -5.996 814 H PHE 106 H PHE 106 -6.184 -6.197 -6.006 815 HA PHE 106 HA PHE 106 -8.239 -4.583 -5.391 816 1HB PHE 106 1HB PHE 106 -5.616 -4.221 -5.546 817 2HB PHE 106 2HB PHE 106 -6.067 -3.341 -6.992 818 HD1 PHE 106 1HD PHE 106 -8.300 -1.780 -6.544 819 HD2 PHE 106 2HD PHE 106 -5.325 -2.937 -3.652 820 HE1 PHE 106 1HE PHE 106 -8.856 0.190 -5.149 821 HE2 PHE 106 2HE PHE 106 -5.845 -0.915 -2.300 822 HZ PHE 106 HZ PHE 106 -7.540 0.702 -3.119 823 H ILE 107 H ILE 107 -9.900 -3.560 -6.347 824 HA ILE 107 HA ILE 107 -10.612 -4.028 -9.004 825 HB ILE 107 HB ILE 107 -11.985 -3.238 -7.033 826 1HG1 ILE 107 1HG1 ILE 107 -13.139 -1.704 -9.149 827 2HG1 ILE 107 2HG1 ILE 107 -12.427 -3.172 -9.786 828 1HG2 ILE 107 1HG2 ILE 107 -10.804 -1.215 -6.458 829 2HG2 ILE 107 2HG2 ILE 107 -11.176 -0.525 -8.076 830 3HG2 ILE 107 3HG2 ILE 107 -12.506 -0.845 -6.909 831 1HD1 ILE 107 1HD1 ILE 107 -13.686 -4.523 -8.141 832 2HD1 ILE 107 2HD1 ILE 107 -14.416 -3.017 -7.487 833 3HD1 ILE 107 3HD1 ILE 107 -14.788 -3.541 -9.167 834 H ALA 108 H ALA 108 -11.295 -1.680 -10.227 835 HA ALA 108 HA ALA 108 -8.679 -0.369 -10.707 836 1HB ALA 108 1HB ALA 108 -9.238 -1.924 -12.493 837 2HB ALA 108 2HB ALA 108 -10.844 -1.141 -12.681 838 3HB ALA 108 3HB ALA 108 -9.348 -0.232 -13.087 839 H ILE 109 H ILE 109 -9.887 0.882 -8.794 840 HA ILE 109 HA ILE 109 -12.060 2.516 -9.235 841 HB ILE 109 HB ILE 109 -9.605 2.860 -7.588 842 1HG1 ILE 109 1HG1 ILE 109 -12.337 2.710 -6.460 843 2HG1 ILE 109 2HG1 ILE 109 -11.742 1.259 -7.240 844 1HG2 ILE 109 1HG2 ILE 109 -10.364 5.138 -8.104 845 2HG2 ILE 109 2HG2 ILE 109 -12.026 4.681 -7.591 846 3HG2 ILE 109 3HG2 ILE 109 -10.687 4.706 -6.389 847 1HD1 ILE 109 1HD1 ILE 109 -9.760 1.262 -5.785 848 2HD1 ILE 109 2HD1 ILE 109 -10.371 2.751 -4.985 849 3HD1 ILE 109 3HD1 ILE 109 -11.282 1.210 -4.831 Start of MODEL 15 1 1H GLN 1 1H GLN 1 -3.226 -17.280 2.542 2 2H GLN 1 2H GLN 1 -4.592 -18.196 2.350 3 3H GLN 1 3H GLN 1 -3.304 -18.405 1.329 4 HA GLN 1 HA GLN 1 -3.569 -16.185 0.509 5 1HB GLN 1 1HB GLN 1 -4.525 -17.539 -1.004 6 2HB GLN 1 2HB GLN 1 -5.602 -18.274 0.168 7 1HG GLN 1 1HG GLN 1 -6.107 -15.471 -0.685 8 2HG GLN 1 2HG GLN 1 -6.525 -16.777 -1.775 9 1HE2 GLN 1 2HE2 GLN 1 -7.644 -18.690 -0.328 10 2HE2 GLN 1 1HE2 GLN 1 -9.001 -18.107 0.609 11 HA PRO 2 HA PRO 2 -7.412 -14.489 2.589 12 1HB PRO 2 1HB PRO 2 -8.472 -15.827 4.799 13 2HB PRO 2 2HB PRO 2 -9.086 -15.921 3.161 14 1HG PRO 2 1HG PRO 2 -7.635 -17.933 4.687 15 2HG PRO 2 2HG PRO 2 -8.515 -18.118 3.183 16 1HD PRO 2 1HD PRO 2 -5.704 -17.924 3.549 17 2HD PRO 2 2HD PRO 2 -6.584 -18.086 2.043 18 H GLN 3 H GLN 3 -8.060 -14.053 5.277 19 HA GLN 3 HA GLN 3 -6.147 -12.407 6.319 20 1HB GLN 3 1HB GLN 3 -8.540 -13.127 7.201 21 2HB GLN 3 2HB GLN 3 -7.555 -14.070 8.302 22 1HG GLN 3 1HG GLN 3 -7.881 -12.012 9.415 23 2HG GLN 3 2HG GLN 3 -6.266 -11.900 8.747 24 1HE2 GLN 3 2HE2 GLN 3 -6.365 -9.547 8.837 25 2HE2 GLN 3 1HE2 GLN 3 -7.294 -8.677 7.637 26 H LYS 4 H LYS 4 -6.150 -15.899 6.534 27 HA LYS 4 HA LYS 4 -4.323 -16.660 8.318 28 1HB LYS 4 1HB LYS 4 -5.211 -17.770 6.035 29 2HB LYS 4 2HB LYS 4 -3.534 -17.492 5.609 30 1HG LYS 4 1HG LYS 4 -3.695 -18.561 8.272 31 2HG LYS 4 2HG LYS 4 -4.581 -19.594 7.169 32 1HD LYS 4 1HD LYS 4 -2.532 -19.571 5.691 33 2HD LYS 4 2HD LYS 4 -1.685 -18.807 7.020 34 1HE LYS 4 1HE LYS 4 -2.385 -20.741 8.464 35 2HE LYS 4 2HE LYS 4 -2.994 -21.521 7.018 36 1HZ LYS 4 1HZ LYS 4 -0.790 -21.426 6.098 37 2HZ LYS 4 2HZ LYS 4 -0.215 -20.688 7.465 38 3HZ LYS 4 3HZ LYS 4 -0.777 -22.243 7.537 39 H CYS 5 H CYS 5 -3.319 -14.952 5.332 40 HA CYS 5 HA CYS 5 -0.639 -14.505 6.406 41 1HB CYS 5 1HB CYS 5 -1.689 -14.529 3.873 42 2HB CYS 5 2HB CYS 5 -1.416 -12.827 4.184 43 H GLN 6 H GLN 6 -3.411 -12.336 5.561 44 HA GLN 6 HA GLN 6 -2.419 -9.915 6.443 45 1HB GLN 6 1HB GLN 6 -5.127 -10.952 7.156 46 2HB GLN 6 2HB GLN 6 -4.650 -9.276 6.964 47 1HG GLN 6 1HG GLN 6 -4.123 -9.886 4.539 48 2HG GLN 6 2HG GLN 6 -5.024 -11.359 4.840 49 1HE2 GLN 6 2HE2 GLN 6 -5.430 -7.849 5.519 50 2HE2 GLN 6 1HE2 GLN 6 -7.084 -7.784 4.955 51 H ARG 7 H ARG 7 -3.427 -12.561 8.576 52 HA ARG 7 HA ARG 7 -3.142 -11.258 11.078 53 1HB ARG 7 1HB ARG 7 -3.751 -13.847 10.150 54 2HB ARG 7 2HB ARG 7 -2.369 -14.016 11.214 55 1HG ARG 7 1HG ARG 7 -3.509 -12.749 12.947 56 2HG ARG 7 2HG ARG 7 -4.869 -12.469 11.877 57 1HD ARG 7 1HD ARG 7 -5.060 -15.016 11.726 58 2HD ARG 7 2HD ARG 7 -3.971 -15.066 13.098 59 HE ARG 7 HE ARG 7 -6.770 -14.444 13.141 60 1HH1 ARG 7 1HH2 ARG 7 -3.766 -13.687 14.790 61 2HH1 ARG 7 2HH2 ARG 7 -4.596 -13.185 16.245 62 1HH2 ARG 7 1HH1 ARG 7 -7.754 -13.759 15.011 63 2HH2 ARG 7 2HH1 ARG 7 -6.786 -13.225 16.367 64 H GLU 8 H GLU 8 -0.812 -13.406 9.376 65 HA GLU 8 HA GLU 8 1.389 -12.848 11.087 66 1HB GLU 8 1HB GLU 8 0.856 -14.367 8.714 67 2HB GLU 8 2HB GLU 8 2.379 -13.517 8.540 68 1HG GLU 8 1HG GLU 8 1.853 -14.829 11.146 69 2HG GLU 8 2HG GLU 8 2.199 -15.876 9.785 70 H PHE 9 H PHE 9 0.240 -11.234 8.179 71 HA PHE 9 HA PHE 9 2.476 -9.487 7.850 72 1HB PHE 9 1HB PHE 9 1.204 -9.523 5.995 73 2HB PHE 9 2HB PHE 9 -0.279 -9.771 6.893 74 HD1 PHE 9 1HD PHE 9 -1.396 -7.758 8.007 75 HD2 PHE 9 2HD PHE 9 1.630 -7.445 4.976 76 HE1 PHE 9 1HE PHE 9 -1.781 -5.313 7.911 77 HE2 PHE 9 2HE PHE 9 0.803 -5.141 4.492 78 HZ PHE 9 HZ PHE 9 -0.636 -3.980 6.153 79 H GLN 10 H GLN 10 -0.562 -9.298 9.672 80 HA GLN 10 HA GLN 10 0.218 -6.622 10.589 81 1HB GLN 10 1HB GLN 10 -2.252 -7.611 9.907 82 2HB GLN 10 2HB GLN 10 -2.294 -7.545 11.657 83 1HG GLN 10 1HG GLN 10 -1.085 -5.157 10.802 84 2HG GLN 10 2HG GLN 10 -2.476 -5.401 9.767 85 1HE2 GLN 10 2HE2 GLN 10 -1.718 -3.579 12.124 86 2HE2 GLN 10 1HE2 GLN 10 -3.153 -3.635 13.123 87 H GLN 11 H GLN 11 1.061 -9.569 11.488 88 HA GLN 11 HA GLN 11 0.409 -9.677 14.250 89 1HB GLN 11 1HB GLN 11 0.918 -11.752 13.402 90 2HB GLN 11 2HB GLN 11 2.189 -11.133 12.367 91 1HG GLN 11 1HG GLN 11 3.757 -11.291 13.966 92 2HG GLN 11 2HG GLN 11 2.641 -10.866 15.249 93 1HE2 GLN 11 2HE2 GLN 11 3.907 -13.456 13.261 94 2HE2 GLN 11 1HE2 GLN 11 3.330 -14.762 14.273 95 H GLU 12 H GLU 12 3.417 -8.873 12.499 96 HA GLU 12 HA GLU 12 4.124 -6.783 14.323 97 1HB GLU 12 1HB GLU 12 6.084 -7.838 15.337 98 2HB GLU 12 2HB GLU 12 4.562 -8.524 15.865 99 1HG GLU 12 1HG GLU 12 5.251 -10.550 15.302 100 2HG GLU 12 2HG GLU 12 5.496 -10.030 13.647 101 H GLN 13 H GLN 13 3.948 -7.494 11.448 102 HA GLN 13 HA GLN 13 6.423 -6.243 10.602 103 1HB GLN 13 1HB GLN 13 5.908 -9.115 10.186 104 2HB GLN 13 2HB GLN 13 6.524 -8.229 8.806 105 1HG GLN 13 1HG GLN 13 8.220 -7.301 10.599 106 2HG GLN 13 2HG GLN 13 7.814 -8.795 11.419 107 1HE2 GLN 13 2HE2 GLN 13 10.394 -8.161 10.535 108 2HE2 GLN 13 1HE2 GLN 13 10.832 -9.261 9.248 109 H HIS 14 H HIS 14 4.132 -4.988 10.603 110 HA HIS 14 HA HIS 14 2.556 -5.426 8.240 111 1HB HIS 14 1HB HIS 14 2.739 -2.746 9.462 112 2HB HIS 14 2HB HIS 14 1.340 -3.612 8.859 113 HD1 HIS 14 1HD HIS 14 1.141 -2.146 11.574 114 HD2 HIS 14 2HD HIS 14 2.308 -6.156 11.083 115 HE1 HIS 14 1HE HIS 14 0.681 -3.328 13.818 116 HE2 HIS 14 2HE HIS 14 1.402 -5.778 13.503 117 H LEU 15 H LEU 15 2.387 -2.929 7.020 118 HA LEU 15 HA LEU 15 4.988 -2.988 5.586 119 1HB LEU 15 1HB LEU 15 2.186 -2.520 4.699 120 2HB LEU 15 2HB LEU 15 3.551 -2.032 3.717 121 HG LEU 15 HG LEU 15 2.352 -4.298 3.308 122 1HD1 LEU 15 1HD1 LEU 15 4.252 -3.508 2.029 123 2HD1 LEU 15 2HD1 LEU 15 5.361 -4.038 3.341 124 3HD1 LEU 15 3HD1 LEU 15 4.427 -5.256 2.406 125 1HD2 LEU 15 1HD2 LEU 15 4.380 -5.170 5.385 126 2HD2 LEU 15 2HD2 LEU 15 2.592 -5.308 5.530 127 3HD2 LEU 15 3HD2 LEU 15 3.467 -6.251 4.275 128 H ARG 16 H ARG 16 5.507 -0.885 4.482 129 HA ARG 16 HA ARG 16 4.601 1.477 5.958 130 1HB ARG 16 1HB ARG 16 7.323 0.346 6.263 131 2HB ARG 16 2HB ARG 16 7.103 2.086 6.267 132 1HG ARG 16 1HG ARG 16 5.532 1.915 8.115 133 2HG ARG 16 2HG ARG 16 5.638 0.167 8.076 134 1HD ARG 16 1HD ARG 16 8.000 0.266 8.605 135 2HD ARG 16 2HD ARG 16 7.960 2.017 8.549 136 HE ARG 16 HE ARG 16 6.071 1.533 10.400 137 1HH1 ARG 16 1HH2 ARG 16 9.305 0.230 10.095 138 2HH1 ARG 16 2HH2 ARG 16 9.468 -0.009 11.820 139 1HH2 ARG 16 1HH1 ARG 16 6.340 1.197 12.594 140 2HH2 ARG 16 2HH1 ARG 16 7.837 0.522 13.195 141 H ALA 17 H ALA 17 7.636 1.006 4.200 142 HA ALA 17 HA ALA 17 7.481 3.067 2.470 143 1HB ALA 17 1HB ALA 17 9.410 1.560 2.609 144 2HB ALA 17 2HB ALA 17 8.451 0.252 1.831 145 3HB ALA 17 3HB ALA 17 8.878 1.727 0.899 146 H CYS 18 H CYS 18 5.534 0.076 2.117 147 HA CYS 18 HA CYS 18 4.382 0.848 -0.402 148 1HB CYS 18 1HB CYS 18 3.992 -1.242 1.610 149 2HB CYS 18 2HB CYS 18 2.636 -0.889 0.559 150 H GLN 19 H GLN 19 3.043 0.818 2.889 151 HA GLN 19 HA GLN 19 0.948 2.704 2.139 152 1HB GLN 19 1HB GLN 19 0.261 2.333 4.460 153 2HB GLN 19 2HB GLN 19 0.401 0.867 3.513 154 1HG GLN 19 1HG GLN 19 2.286 0.150 4.668 155 2HG GLN 19 2HG GLN 19 2.654 1.757 5.259 156 1HE2 GLN 19 2HE2 GLN 19 0.571 2.675 6.571 157 2HE2 GLN 19 1HE2 GLN 19 0.005 1.580 7.813 158 H GLN 20 H GLN 20 3.607 3.795 1.872 159 HA GLN 20 HA GLN 20 3.398 6.078 3.727 160 1HB GLN 20 1HB GLN 20 5.813 4.329 3.462 161 2HB GLN 20 2HB GLN 20 5.961 6.024 3.884 162 1HG GLN 20 1HG GLN 20 4.128 5.355 5.686 163 2HG GLN 20 2HG GLN 20 4.841 3.770 5.468 164 1HE2 GLN 20 2HE2 GLN 20 4.838 5.359 7.865 165 2HE2 GLN 20 1HE2 GLN 20 6.511 5.706 8.246 166 H TRP 21 H TRP 21 4.965 4.557 0.898 167 HA TRP 21 HA TRP 21 5.873 6.949 -0.273 168 1HB TRP 21 1HB TRP 21 6.066 5.815 -2.233 169 2HB TRP 21 2HB TRP 21 6.186 4.556 -1.020 170 HD1 TRP 21 HD TRP 21 4.489 2.611 -1.136 171 HE1 TRP 21 1HE TRP 21 2.507 2.007 -2.640 172 HE3 TRP 21 3HE TRP 21 4.204 6.936 -3.770 173 HZ2 TRP 21 2HZ TRP 21 1.003 3.280 -4.782 174 HZ3 TRP 21 3HZ TRP 21 2.543 7.222 -5.580 175 HH2 TRP 21 HH TRP 21 1.051 5.337 -6.182 176 H ILE 22 H ILE 22 2.649 5.556 -0.220 177 HA ILE 22 HA ILE 22 1.342 7.253 -2.052 178 HB ILE 22 HB ILE 22 0.105 6.278 0.500 179 1HG1 ILE 22 1HG1 ILE 22 0.945 4.727 -1.896 180 2HG1 ILE 22 2HG1 ILE 22 1.088 4.310 -0.200 181 1HG2 ILE 22 1HG2 ILE 22 -1.236 7.806 -0.866 182 2HG2 ILE 22 2HG2 ILE 22 -0.975 6.753 -2.300 183 3HG2 ILE 22 3HG2 ILE 22 -1.935 6.149 -0.905 184 1HD1 ILE 22 1HD1 ILE 22 -1.323 3.833 -0.091 185 2HD1 ILE 22 2HD1 ILE 22 -1.468 4.261 -1.832 186 3HD1 ILE 22 3HD1 ILE 22 -0.496 2.832 -1.336 187 H ARG 23 H ARG 23 2.534 7.905 1.148 188 HA ARG 23 HA ARG 23 1.334 10.579 1.256 189 1HB ARG 23 1HB ARG 23 2.682 8.789 3.110 190 2HB ARG 23 2HB ARG 23 3.148 10.470 3.276 191 1HG ARG 23 1HG ARG 23 1.268 10.591 4.542 192 2HG ARG 23 2HG ARG 23 0.478 10.740 2.986 193 1HD ARG 23 1HD ARG 23 -0.515 8.711 3.175 194 2HD ARG 23 2HD ARG 23 0.953 7.957 3.762 195 HE ARG 23 HE ARG 23 -1.270 8.689 5.330 196 1HH1 ARG 23 1HH2 ARG 23 2.243 8.910 5.495 197 2HH1 ARG 23 2HH2 ARG 23 2.237 8.987 7.242 198 1HH2 ARG 23 1HH1 ARG 23 -1.151 8.833 7.593 199 2HH2 ARG 23 2HH1 ARG 23 0.415 8.947 8.367 200 H GLN 24 H GLN 24 4.508 9.154 0.582 201 HA GLN 24 HA GLN 24 5.845 11.702 0.376 202 1HB GLN 24 1HB GLN 24 6.487 8.894 -0.381 203 2HB GLN 24 2HB GLN 24 7.515 10.214 -0.904 204 1HG GLN 24 1HG GLN 24 6.975 10.608 1.851 205 2HG GLN 24 2HG GLN 24 7.437 8.932 1.646 206 1HE2 GLN 24 2HE2 GLN 24 8.458 12.279 0.905 207 2HE2 GLN 24 1HE2 GLN 24 10.168 11.917 0.858 208 H GLN 25 H GLN 25 3.689 10.045 -1.746 209 HA GLN 25 HA GLN 25 4.674 11.131 -4.214 210 1HB GLN 25 1HB GLN 25 2.588 10.413 -5.159 211 2HB GLN 25 2HB GLN 25 3.187 9.178 -4.070 212 1HG GLN 25 1HG GLN 25 1.174 9.179 -3.164 213 2HG GLN 25 2HG GLN 25 1.607 10.720 -2.454 214 1HE2 GLN 25 2HE2 GLN 25 -0.953 9.414 -3.499 215 2HE2 GLN 25 1HE2 GLN 25 -1.671 10.678 -4.470 216 H LEU 26 H LEU 26 3.201 12.623 -1.565 217 HA LEU 26 HA LEU 26 2.314 14.921 -3.181 218 1HB LEU 26 1HB LEU 26 1.344 14.755 -0.425 219 2HB LEU 26 2HB LEU 26 0.534 15.292 -1.882 220 HG LEU 26 HG LEU 26 0.648 12.657 -2.326 221 1HD1 LEU 26 1HD1 LEU 26 1.690 12.113 -0.230 222 2HD1 LEU 26 2HD1 LEU 26 0.362 12.934 0.663 223 3HD1 LEU 26 3HD1 LEU 26 0.022 11.444 -0.283 224 1HD2 LEU 26 1HD2 LEU 26 -1.575 13.968 -0.764 225 2HD2 LEU 26 2HD2 LEU 26 -1.419 13.901 -2.554 226 3HD2 LEU 26 3HD2 LEU 26 -1.667 12.388 -1.617 227 H ALA 27 H ALA 27 2.177 16.852 -1.256 228 HA ALA 27 HA ALA 27 4.984 17.394 -0.704 229 1HB ALA 27 1HB ALA 27 3.467 19.125 -1.503 230 2HB ALA 27 2HB ALA 27 2.421 18.874 -0.062 231 3HB ALA 27 3HB ALA 27 4.079 19.537 0.136 232 H GLY 28 H GLY 28 2.520 15.768 1.009 233 1HA GLY 28 1HA GLY 28 3.216 16.410 3.717 234 2HA GLY 28 2HA GLY 28 2.264 15.047 3.167 235 H SER 29 H SER 29 5.614 16.169 2.908 236 HA SER 29 HA SER 29 6.707 13.934 4.330 237 1HB SER 29 1HB SER 29 7.771 12.781 2.664 238 2HB SER 29 2HB SER 29 6.197 13.127 1.974 239 HG SER 29 HG SER 29 7.890 13.434 0.495 240 HA PRO 30 HA PRO 30 9.164 17.834 4.349 241 1HB PRO 30 1HB PRO 30 9.041 18.310 7.057 242 2HB PRO 30 2HB PRO 30 7.963 19.039 5.884 243 1HG PRO 30 1HG PRO 30 7.407 16.908 7.831 244 2HG PRO 30 2HG PRO 30 6.279 17.943 6.976 245 1HD PRO 30 1HD PRO 30 6.930 15.236 6.376 246 2HD PRO 30 2HD PRO 30 5.877 16.300 5.465 247 H PHE 31 H PHE 31 11.112 18.270 5.810 248 HA PHE 31 HA PHE 31 12.404 15.839 6.829 249 1HB PHE 31 1HB PHE 31 13.775 17.444 4.712 250 2HB PHE 31 2HB PHE 31 14.196 15.858 5.326 251 HD1 PHE 31 1HD PHE 31 12.379 13.965 4.879 252 HD2 PHE 31 2HD PHE 31 12.776 17.632 2.634 253 HE1 PHE 31 1HE PHE 31 11.065 12.959 3.016 254 HE2 PHE 31 2HE PHE 31 11.505 16.614 0.751 255 HZ PHE 31 HZ PHE 31 10.695 14.268 0.928 256 H SER 32 H SER 32 11.559 17.970 8.369 257 HA SER 32 HA SER 32 13.448 20.075 8.658 258 1HB SER 32 1HB SER 32 11.198 20.162 9.605 259 2HB SER 32 2HB SER 32 11.623 18.892 10.735 260 HG SER 32 HG SER 32 11.871 20.989 11.637 261 H GLU 33 H GLU 33 13.012 17.332 10.885 262 HA GLU 33 HA GLU 33 15.957 17.172 11.238 263 1HB GLU 33 1HB GLU 33 14.732 18.312 13.136 264 2HB GLU 33 2HB GLU 33 13.966 16.769 13.450 265 1HG GLU 33 1HG GLU 33 16.234 15.750 13.656 266 2HG GLU 33 2HG GLU 33 16.924 17.353 13.497 267 H ASN 34 H ASN 34 12.827 15.498 11.557 268 HA ASN 34 HA ASN 34 14.182 12.885 11.378 269 1HB ASN 34 1HB ASN 34 12.279 13.576 13.080 270 2HB ASN 34 2HB ASN 34 11.243 13.143 11.736 271 1HD2 ASN 34 2HD2 ASN 34 10.971 10.990 11.196 272 2HD2 ASN 34 1HD2 ASN 34 11.765 9.681 12.043 273 H GLN 35 H GLN 35 14.742 12.650 9.245 274 HA GLN 35 HA GLN 35 12.890 13.302 7.134 275 1HB GLN 35 1HB GLN 35 14.510 12.041 5.755 276 2HB GLN 35 2HB GLN 35 15.196 13.354 6.691 277 1HG GLN 35 1HG GLN 35 15.316 10.686 7.943 278 2HG GLN 35 2HG GLN 35 16.305 10.907 6.514 279 1HE2 GLN 35 2HE2 GLN 35 17.654 10.344 8.730 280 2HE2 GLN 35 1HE2 GLN 35 18.433 11.766 9.386 281 H TRP 36 H TRP 36 11.216 12.122 6.318 282 HA TRP 36 HA TRP 36 10.108 9.910 7.538 283 1HB TRP 36 1HB TRP 36 9.315 11.482 5.592 284 2HB TRP 36 2HB TRP 36 9.844 10.143 4.595 285 HD1 TRP 36 HD TRP 36 8.227 8.119 4.361 286 HE1 TRP 36 1HE TRP 36 5.927 7.562 5.377 287 HE3 TRP 36 3HE TRP 36 7.967 11.743 7.979 288 HZ2 TRP 36 2HZ TRP 36 4.260 8.446 7.572 289 HZ3 TRP 36 3HZ TRP 36 6.021 11.885 9.502 290 HH2 TRP 36 HH TRP 36 4.160 10.239 9.315 291 H GLY 37 H GLY 37 11.690 9.630 4.398 292 1HA GLY 37 1HA GLY 37 13.658 7.745 5.172 293 2HA GLY 37 2HA GLY 37 12.323 6.908 4.405 294 HA PRO 38 HA PRO 38 13.871 9.756 0.959 295 1HB PRO 38 1HB PRO 38 16.002 11.457 1.407 296 2HB PRO 38 2HB PRO 38 14.322 11.941 1.494 297 1HG PRO 38 1HG PRO 38 16.230 11.490 3.678 298 2HG PRO 38 2HG PRO 38 14.713 12.366 3.704 299 1HD PRO 38 1HD PRO 38 15.198 9.749 4.702 300 2HD PRO 38 2HD PRO 38 13.656 10.577 4.613 301 H GLN 39 H GLN 39 16.955 9.697 2.813 302 HA GLN 39 HA GLN 39 18.231 8.195 0.666 303 1HB GLN 39 1HB GLN 39 19.354 8.788 3.377 304 2HB GLN 39 2HB GLN 39 20.231 8.458 1.898 305 1HG GLN 39 1HG GLN 39 18.542 10.680 1.408 306 2HG GLN 39 2HG GLN 39 19.363 10.972 2.928 307 1HE2 GLN 39 2HE2 GLN 39 21.025 12.281 2.604 308 2HE2 GLN 39 1HE2 GLN 39 22.157 12.168 1.273 309 H GLN 40 H GLN 40 16.278 7.315 3.197 310 HA GLN 40 HA GLN 40 17.420 4.605 3.477 311 1HB GLN 40 1HB GLN 40 16.456 6.358 5.352 312 2HB GLN 40 2HB GLN 40 15.085 5.303 5.086 313 1HG GLN 40 1HG GLN 40 17.857 4.257 5.578 314 2HG GLN 40 2HG GLN 40 16.734 4.586 6.883 315 1HE2 GLN 40 2HE2 GLN 40 14.954 3.238 7.217 316 2HE2 GLN 40 1HE2 GLN 40 14.843 1.664 6.464 317 H GLY 41 H GLY 41 14.634 6.344 2.195 318 1HA GLY 41 1HA GLY 41 13.742 3.833 0.917 319 2HA GLY 41 2HA GLY 41 12.572 4.735 1.858 320 HA PRO 42 HA PRO 42 13.550 7.800 -1.586 321 1HB PRO 42 1HB PRO 42 15.424 7.137 -3.521 322 2HB PRO 42 2HB PRO 42 15.745 8.150 -2.127 323 1HG PRO 42 1HG PRO 42 16.599 5.389 -2.632 324 2HG PRO 42 2HG PRO 42 17.213 6.530 -1.453 325 1HD PRO 42 1HD PRO 42 15.459 4.346 -0.980 326 2HD PRO 42 2HD PRO 42 15.985 5.552 0.177 327 H SER 43 H SER 43 14.541 4.776 -3.190 328 HA SER 43 HA SER 43 12.416 5.077 -5.164 329 1HB SER 43 1HB SER 43 14.269 2.763 -4.688 330 2HB SER 43 2HB SER 43 13.372 3.115 -6.150 331 HG SER 43 HG SER 43 15.565 3.713 -6.302 332 H LEU 44 H LEU 44 10.857 5.131 -3.096 333 HA LEU 44 HA LEU 44 10.236 2.853 -1.609 334 1HB LEU 44 1HB LEU 44 8.666 5.129 -2.703 335 2HB LEU 44 2HB LEU 44 7.834 3.814 -1.897 336 HG LEU 44 HG LEU 44 10.139 4.971 -0.467 337 1HD1 LEU 44 1HD1 LEU 44 9.081 7.032 -1.298 338 2HD1 LEU 44 2HD1 LEU 44 7.499 6.459 -0.664 339 3HD1 LEU 44 3HD1 LEU 44 8.840 6.837 0.474 340 1HD2 LEU 44 1HD2 LEU 44 7.344 4.169 0.349 341 2HD2 LEU 44 2HD2 LEU 44 8.823 3.156 0.479 342 3HD2 LEU 44 3HD2 LEU 44 8.668 4.652 1.465 343 H ARG 45 H ARG 45 8.698 3.822 -4.789 344 HA ARG 45 HA ARG 45 7.337 1.391 -5.126 345 1HB ARG 45 1HB ARG 45 8.763 2.989 -7.216 346 2HB ARG 45 2HB ARG 45 7.551 1.764 -7.532 347 1HG ARG 45 1HG ARG 45 7.169 4.379 -6.107 348 2HG ARG 45 2HG ARG 45 6.472 3.888 -7.636 349 1HD ARG 45 1HD ARG 45 5.567 1.891 -6.062 350 2HD ARG 45 2HD ARG 45 5.661 3.179 -4.879 351 HE ARG 45 HE ARG 45 3.845 4.194 -5.856 352 1HH1 ARG 45 1HH2 ARG 45 5.135 1.831 -8.126 353 2HH1 ARG 45 2HH2 ARG 45 3.820 2.076 -9.254 354 1HH2 ARG 45 1HH1 ARG 45 2.229 4.463 -7.347 355 2HH2 ARG 45 2HH1 ARG 45 2.223 3.524 -8.824 356 H GLU 46 H GLU 46 10.772 1.745 -5.261 357 HA GLU 46 HA GLU 46 11.097 -0.956 -6.410 358 1HB GLU 46 1HB GLU 46 13.176 1.032 -5.549 359 2HB GLU 46 2HB GLU 46 13.436 -0.414 -6.503 360 1HG GLU 46 1HG GLU 46 11.885 0.562 -8.239 361 2HG GLU 46 2HG GLU 46 11.893 2.051 -7.315 362 H GLN 47 H GLN 47 11.251 0.715 -3.345 363 HA GLN 47 HA GLN 47 12.566 -1.485 -1.934 364 1HB GLN 47 1HB GLN 47 12.103 1.327 -1.448 365 2HB GLN 47 2HB GLN 47 11.606 0.354 -0.079 366 1HG GLN 47 1HG GLN 47 13.821 -0.862 -0.297 367 2HG GLN 47 2HG GLN 47 14.299 0.390 -1.427 368 1HE2 GLN 47 2HE2 GLN 47 12.559 0.350 1.736 369 2HE2 GLN 47 1HE2 GLN 47 13.563 1.589 2.457 370 H CYS 48 H CYS 48 9.458 0.314 -1.638 371 HA CYS 48 HA CYS 48 8.042 -1.539 -0.107 372 1HB CYS 48 1HB CYS 48 6.725 0.211 -0.346 373 2HB CYS 48 2HB CYS 48 7.325 0.576 -1.951 374 H CYS 49 H CYS 49 8.120 -1.409 -3.742 375 HA CYS 49 HA CYS 49 6.725 -3.868 -4.003 376 1HB CYS 49 1HB CYS 49 8.749 -2.573 -5.761 377 2HB CYS 49 2HB CYS 49 7.932 -4.063 -6.189 378 H ASN 50 H ASN 50 9.928 -3.403 -2.820 379 HA ASN 50 HA ASN 50 10.565 -6.265 -3.022 380 1HB ASN 50 1HB ASN 50 12.050 -3.945 -3.040 381 2HB ASN 50 2HB ASN 50 12.328 -4.593 -1.436 382 1HD2 ASN 50 2HD2 ASN 50 11.846 -5.957 -4.685 383 2HD2 ASN 50 1HD2 ASN 50 13.262 -6.983 -4.652 384 H GLU 51 H GLU 51 9.443 -3.960 -0.679 385 HA GLU 51 HA GLU 51 9.820 -5.712 1.629 386 1HB GLU 51 1HB GLU 51 9.736 -3.836 2.861 387 2HB GLU 51 2HB GLU 51 9.934 -3.005 1.330 388 1HG GLU 51 1HG GLU 51 7.498 -2.830 1.125 389 2HG GLU 51 2HG GLU 51 7.317 -3.630 2.672 390 H LEU 52 H LEU 52 7.486 -5.256 -0.755 391 HA LEU 52 HA LEU 52 5.284 -6.198 0.951 392 1HB LEU 52 1HB LEU 52 3.913 -5.112 -0.402 393 2HB LEU 52 2HB LEU 52 5.368 -4.265 -0.890 394 HG LEU 52 HG LEU 52 4.203 -4.660 -2.839 395 1HD1 LEU 52 1HD1 LEU 52 6.551 -5.328 -3.182 396 2HD1 LEU 52 2HD1 LEU 52 6.117 -7.008 -2.713 397 3HD1 LEU 52 3HD1 LEU 52 5.421 -6.284 -4.203 398 1HD2 LEU 52 1HD2 LEU 52 3.761 -7.451 -1.772 399 2HD2 LEU 52 2HD2 LEU 52 2.560 -6.114 -1.831 400 3HD2 LEU 52 3HD2 LEU 52 3.170 -6.842 -3.358 401 H TYR 53 H TYR 53 7.642 -7.255 -1.288 402 HA TYR 53 HA TYR 53 6.209 -9.717 -2.040 403 1HB TYR 53 1HB TYR 53 7.843 -7.948 -3.414 404 2HB TYR 53 2HB TYR 53 8.853 -9.355 -3.150 405 HD1 TYR 53 1HD TYR 53 7.376 -11.665 -3.530 406 HD2 TYR 53 2HD TYR 53 6.878 -7.868 -5.515 407 HE1 TYR 53 1HE TYR 53 6.488 -12.822 -5.537 408 HE2 TYR 53 2HE TYR 53 5.919 -9.030 -7.503 409 HH TYR 53 HH TYR 53 5.187 -11.070 -8.306 410 H GLN 54 H GLN 54 7.707 -8.882 0.561 411 HA GLN 54 HA GLN 54 9.705 -11.009 0.782 412 1HB GLN 54 1HB GLN 54 9.965 -10.034 3.106 413 2HB GLN 54 2HB GLN 54 10.443 -9.017 1.763 414 1HG GLN 54 1HG GLN 54 8.496 -7.704 1.938 415 2HG GLN 54 2HG GLN 54 7.731 -8.853 3.017 416 1HE2 GLN 54 2HE2 GLN 54 7.300 -7.238 4.584 417 2HE2 GLN 54 1HE2 GLN 54 8.583 -6.564 5.564 418 H GLU 55 H GLU 55 6.531 -10.101 2.033 419 HA GLU 55 HA GLU 55 6.428 -12.435 3.758 420 1HB GLU 55 1HB GLU 55 4.445 -10.320 3.084 421 2HB GLU 55 2HB GLU 55 4.156 -11.616 4.228 422 1HG GLU 55 1HG GLU 55 6.372 -10.704 5.304 423 2HG GLU 55 2HG GLU 55 5.896 -9.234 4.475 424 H ASP 56 H ASP 56 6.499 -12.481 0.689 425 HA ASP 56 HA ASP 56 5.867 -13.966 -0.930 426 1HB ASP 56 1HB ASP 56 5.441 -15.463 1.165 427 2HB ASP 56 2HB ASP 56 3.754 -15.106 0.853 428 H GLN 57 H GLN 57 3.489 -14.788 -1.889 429 HA GLN 57 HA GLN 57 2.164 -12.310 -2.629 430 1HB GLN 57 1HB GLN 57 1.967 -15.188 -3.368 431 2HB GLN 57 2HB GLN 57 0.746 -14.052 -3.907 432 1HG GLN 57 1HG GLN 57 2.893 -14.629 -5.354 433 2HG GLN 57 2HG GLN 57 2.133 -13.051 -5.388 434 1HE2 GLN 57 2HE2 GLN 57 4.836 -14.927 -4.150 435 2HE2 GLN 57 1HE2 GLN 57 5.820 -13.569 -3.654 436 H VAL 58 H VAL 58 1.551 -15.012 -0.563 437 HA VAL 58 HA VAL 58 -1.203 -14.590 -0.105 438 HB VAL 58 HB VAL 58 0.617 -15.546 2.051 439 1HG1 VAL 58 1HG1 VAL 58 -1.806 -15.414 2.437 440 2HG1 VAL 58 2HG1 VAL 58 -2.077 -16.418 0.970 441 3HG1 VAL 58 3HG1 VAL 58 -1.243 -17.122 2.398 442 1HG2 VAL 58 1HG2 VAL 58 -0.183 -17.141 -0.423 443 2HG2 VAL 58 2HG2 VAL 58 1.486 -16.599 -0.032 444 3HG2 VAL 58 3HG2 VAL 58 0.660 -17.795 1.025 445 H CYS 59 H CYS 59 1.575 -12.835 0.909 446 HA CYS 59 HA CYS 59 -0.070 -11.073 2.589 447 1HB CYS 59 1HB CYS 59 2.753 -11.858 2.742 448 2HB CYS 59 2HB CYS 59 2.177 -10.368 3.463 449 H VAL 60 H VAL 60 0.063 -11.005 -0.259 450 HA VAL 60 HA VAL 60 1.241 -8.317 -0.685 451 HB VAL 60 HB VAL 60 0.758 -10.669 -2.385 452 1HG1 VAL 60 1HG1 VAL 60 -0.696 -9.051 -3.457 453 2HG1 VAL 60 2HG1 VAL 60 0.641 -7.847 -3.469 454 3HG1 VAL 60 3HG1 VAL 60 0.766 -9.340 -4.463 455 1HG2 VAL 60 1HG2 VAL 60 2.933 -8.571 -2.247 456 2HG2 VAL 60 2HG2 VAL 60 2.972 -10.212 -1.516 457 3HG2 VAL 60 3HG2 VAL 60 2.956 -10.024 -3.304 458 H CYS 61 H CYS 61 -1.737 -10.111 -0.610 459 HA CYS 61 HA CYS 61 -3.328 -7.808 -0.317 460 1HB CYS 61 1HB CYS 61 -3.422 -7.102 -2.392 461 2HB CYS 61 2HB CYS 61 -2.808 -8.612 -3.035 462 HA PRO 62 HA PRO 62 -5.348 -7.310 -0.203 463 1HB PRO 62 1HB PRO 62 -7.205 -7.242 1.781 464 2HB PRO 62 2HB PRO 62 -7.595 -7.465 0.088 465 1HG PRO 62 1HG PRO 62 -7.601 -9.430 2.261 466 2HG PRO 62 2HG PRO 62 -8.391 -9.509 0.700 467 1HD PRO 62 1HD PRO 62 -5.955 -10.796 1.495 468 2HD PRO 62 2HD PRO 62 -6.744 -10.870 -0.068 469 H THR 63 H THR 63 -3.516 -9.136 1.486 470 HA THR 63 HA THR 63 -3.040 -8.046 3.965 471 HB THR 63 HB THR 63 -0.766 -8.602 2.147 472 HG1 THR 63 1HG THR 63 -1.377 -10.823 2.242 473 1HG2 THR 63 1HG2 THR 63 -0.439 -8.378 4.597 474 2HG2 THR 63 2HG2 THR 63 -1.623 -9.710 4.838 475 3HG2 THR 63 3HG2 THR 63 -0.063 -10.034 4.005 476 H LEU 64 H LEU 64 -2.293 -6.565 0.825 477 HA LEU 64 HA LEU 64 -1.001 -4.261 2.004 478 1HB LEU 64 1HB LEU 64 -1.556 -5.307 -0.598 479 2HB LEU 64 2HB LEU 64 -2.031 -3.622 -0.526 480 HG LEU 64 HG LEU 64 0.532 -4.043 0.745 481 1HD1 LEU 64 1HD1 LEU 64 0.751 -5.896 -0.847 482 2HD1 LEU 64 2HD1 LEU 64 0.313 -4.778 -2.187 483 3HD1 LEU 64 3HD1 LEU 64 1.843 -4.534 -1.275 484 1HD2 LEU 64 1HD2 LEU 64 -0.366 -2.400 -1.645 485 2HD2 LEU 64 2HD2 LEU 64 -0.368 -1.861 0.069 486 3HD2 LEU 64 3HD2 LEU 64 1.189 -2.201 -0.765 487 H LYS 65 H LYS 65 -4.344 -5.035 1.045 488 HA LYS 65 HA LYS 65 -5.593 -2.559 1.222 489 1HB LYS 65 1HB LYS 65 -6.793 -4.624 0.707 490 2HB LYS 65 2HB LYS 65 -6.612 -5.146 2.368 491 1HG LYS 65 1HG LYS 65 -8.296 -3.840 3.095 492 2HG LYS 65 2HG LYS 65 -7.861 -2.515 2.036 493 1HD LYS 65 1HD LYS 65 -9.386 -3.116 0.514 494 2HD LYS 65 2HD LYS 65 -8.862 -4.787 0.549 495 1HE LYS 65 1HE LYS 65 -10.232 -5.213 2.499 496 2HE LYS 65 2HE LYS 65 -10.686 -3.523 2.584 497 1HZ LYS 65 1HZ LYS 65 -11.737 -3.748 0.450 498 2HZ LYS 65 2HZ LYS 65 -11.310 -5.346 0.368 499 3HZ LYS 65 3HZ LYS 65 -12.379 -4.832 1.524 500 H GLN 66 H GLN 66 -4.444 -4.593 3.932 501 HA GLN 66 HA GLN 66 -5.538 -2.893 5.944 502 1HB GLN 66 1HB GLN 66 -4.559 -5.307 6.098 503 2HB GLN 66 2HB GLN 66 -3.079 -4.447 6.474 504 1HG GLN 66 1HG GLN 66 -4.345 -5.058 8.508 505 2HG GLN 66 2HG GLN 66 -4.171 -3.324 8.338 506 1HE2 GLN 66 2HE2 GLN 66 -6.005 -2.037 8.083 507 2HE2 GLN 66 1HE2 GLN 66 -7.628 -2.682 7.994 508 H ALA 67 H ALA 67 -2.154 -3.207 4.860 509 HA ALA 67 HA ALA 67 -1.042 -1.050 6.158 510 1HB ALA 67 1HB ALA 67 0.193 -2.688 4.833 511 2HB ALA 67 2HB ALA 67 -0.569 -2.058 3.332 512 3HB ALA 67 3HB ALA 67 0.569 -1.024 4.262 513 H ALA 68 H ALA 68 -3.023 -1.023 3.253 514 HA ALA 68 HA ALA 68 -2.863 1.805 2.791 515 1HB ALA 68 1HB ALA 68 -3.342 0.221 0.997 516 2HB ALA 68 2HB ALA 68 -4.849 -0.275 1.840 517 3HB ALA 68 3HB ALA 68 -4.691 1.393 1.189 518 H LYS 69 H LYS 69 -5.208 -0.282 4.470 519 HA LYS 69 HA LYS 69 -7.205 1.624 5.041 520 1HB LYS 69 1HB LYS 69 -6.741 -1.030 5.701 521 2HB LYS 69 2HB LYS 69 -6.745 -0.201 7.246 522 1HG LYS 69 1HG LYS 69 -8.987 -0.582 7.041 523 2HG LYS 69 2HG LYS 69 -8.890 0.953 6.200 524 1HD LYS 69 1HD LYS 69 -9.770 -0.040 4.392 525 2HD LYS 69 2HD LYS 69 -8.326 -1.025 4.276 526 1HE LYS 69 1HE LYS 69 -9.708 -2.776 4.585 527 2HE LYS 69 2HE LYS 69 -9.726 -2.285 6.267 528 1HZ LYS 69 1HZ LYS 69 -11.678 -0.982 5.815 529 2HZ LYS 69 2HZ LYS 69 -11.660 -1.447 4.225 530 3HZ LYS 69 3HZ LYS 69 -11.935 -2.567 5.412 531 H SER 70 H SER 70 -4.095 1.079 6.582 532 HA SER 70 HA SER 70 -4.552 3.222 8.547 533 1HB SER 70 1HB SER 70 -2.752 0.953 8.313 534 2HB SER 70 2HB SER 70 -1.946 2.420 8.832 535 HG SER 70 HG SER 70 -2.862 1.255 10.591 536 H VAL 71 H VAL 71 -4.302 3.690 5.582 537 HA VAL 71 HA VAL 71 -2.140 5.718 5.673 538 HB VAL 71 HB VAL 71 -2.594 3.559 3.881 539 1HG1 VAL 71 1HG1 VAL 71 -3.684 5.158 2.364 540 2HG1 VAL 71 2HG1 VAL 71 -2.247 6.226 2.516 541 3HG1 VAL 71 3HG1 VAL 71 -2.083 4.603 1.762 542 1HG2 VAL 71 1HG2 VAL 71 -0.492 5.703 4.068 543 2HG2 VAL 71 2HG2 VAL 71 -0.501 4.130 4.938 544 3HG2 VAL 71 3HG2 VAL 71 -0.346 4.166 3.148 545 H ARG 72 H ARG 72 -5.372 5.254 5.662 546 HA ARG 72 HA ARG 72 -6.082 7.638 4.067 547 1HB ARG 72 1HB ARG 72 -8.419 6.589 4.759 548 2HB ARG 72 2HB ARG 72 -7.530 6.080 3.338 549 1HG ARG 72 1HG ARG 72 -6.742 4.142 4.437 550 2HG ARG 72 2HG ARG 72 -7.378 4.690 5.975 551 1HD ARG 72 1HD ARG 72 -9.483 4.626 4.048 552 2HD ARG 72 2HD ARG 72 -8.654 3.082 4.060 553 HE ARG 72 HE ARG 72 -9.168 3.988 6.725 554 1HH1 ARG 72 1HH2 ARG 72 -10.755 2.501 3.982 555 2HH1 ARG 72 2HH2 ARG 72 -11.951 1.709 4.983 556 1HH2 ARG 72 1HH1 ARG 72 -10.725 2.940 7.963 557 2HH2 ARG 72 2HH1 ARG 72 -11.934 1.953 7.174 558 H VAL 73 H VAL 73 -6.695 9.415 4.992 559 HA VAL 73 HA VAL 73 -7.721 9.471 7.727 560 HB VAL 73 HB VAL 73 -5.423 11.277 7.153 561 1HG1 VAL 73 1HG1 VAL 73 -6.881 11.737 9.069 562 2HG1 VAL 73 2HG1 VAL 73 -6.606 10.068 9.679 563 3HG1 VAL 73 3HG1 VAL 73 -5.245 11.242 9.628 564 1HG2 VAL 73 1HG2 VAL 73 -5.102 8.491 8.346 565 2HG2 VAL 73 2HG2 VAL 73 -4.449 9.029 6.759 566 3HG2 VAL 73 3HG2 VAL 73 -3.831 9.762 8.281 567 H GLN 74 H GLN 74 -8.987 11.292 8.157 568 HA GLN 74 HA GLN 74 -9.801 12.816 5.806 569 1HB GLN 74 1HB GLN 74 -10.946 12.036 8.300 570 2HB GLN 74 2HB GLN 74 -11.072 13.776 8.135 571 1HG GLN 74 1HG GLN 74 -12.439 13.646 6.306 572 2HG GLN 74 2HG GLN 74 -11.740 12.135 5.760 573 1HE2 GLN 74 2HE2 GLN 74 -14.180 11.881 5.368 574 2HE2 GLN 74 1HE2 GLN 74 -15.060 11.090 6.657 575 H GLY 75 H GLY 75 -10.078 15.166 5.880 576 1HA GLY 75 1HA GLY 75 -9.176 17.066 7.529 577 2HA GLY 75 2HA GLY 75 -7.653 16.484 6.888 578 H GLN 76 H GLN 76 -7.052 16.971 4.804 579 HA GLN 76 HA GLN 76 -8.934 18.577 3.180 580 1HB GLN 76 1HB GLN 76 -6.567 19.519 4.441 581 2HB GLN 76 2HB GLN 76 -6.313 19.527 2.707 582 1HG GLN 76 1HG GLN 76 -7.828 21.179 2.366 583 2HG GLN 76 2HG GLN 76 -8.933 20.549 3.572 584 1HE2 GLN 76 2HE2 GLN 76 -8.683 21.138 5.766 585 2HE2 GLN 76 1HE2 GLN 76 -7.694 22.500 6.239 586 H HIS 77 H HIS 77 -9.436 17.090 1.702 587 HA HIS 77 HA HIS 77 -7.409 16.622 -0.309 588 1HB HIS 77 1HB HIS 77 -7.171 14.769 1.533 589 2HB HIS 77 2HB HIS 77 -8.637 14.125 0.821 590 HD1 HIS 77 1HD HIS 77 -6.586 15.640 -1.819 591 HD2 HIS 77 2HD HIS 77 -6.686 12.004 0.315 592 HE1 HIS 77 1HE HIS 77 -5.294 13.942 -3.248 593 HE2 HIS 77 2HE HIS 77 -5.318 11.739 -1.916 594 H GLY 78 H GLY 78 -8.498 17.041 -2.127 595 1HA GLY 78 1HA GLY 78 -11.152 17.486 -2.555 596 2HA GLY 78 2HA GLY 78 -10.104 16.791 -3.776 597 HA PRO 79 HA PRO 79 -12.295 12.954 -3.402 598 1HB PRO 79 1HB PRO 79 -10.346 11.027 -3.255 599 2HB PRO 79 2HB PRO 79 -10.820 11.845 -4.730 600 1HG PRO 79 1HG PRO 79 -8.400 12.212 -3.098 601 2HG PRO 79 2HG PRO 79 -8.667 12.607 -4.783 602 1HD PRO 79 1HD PRO 79 -8.683 14.375 -2.591 603 2HD PRO 79 2HD PRO 79 -9.094 14.742 -4.255 604 H PHE 80 H PHE 80 -12.015 10.614 -2.130 605 HA PHE 80 HA PHE 80 -12.117 11.357 0.723 606 1HB PHE 80 1HB PHE 80 -13.714 9.810 -1.018 607 2HB PHE 80 2HB PHE 80 -13.048 8.729 0.191 608 HD1 PHE 80 1HD PHE 80 -14.240 8.422 2.142 609 HD2 PHE 80 2HD PHE 80 -14.574 12.179 0.025 610 HE1 PHE 80 1HE PHE 80 -15.969 9.182 3.764 611 HE2 PHE 80 2HE PHE 80 -16.309 12.933 1.648 612 HZ PHE 80 HZ PHE 80 -17.008 11.427 3.499 613 H GLN 81 H GLN 81 -10.936 10.302 2.258 614 HA GLN 81 HA GLN 81 -8.491 8.998 1.648 615 1HB GLN 81 1HB GLN 81 -8.422 8.564 4.040 616 2HB GLN 81 2HB GLN 81 -8.815 10.230 3.665 617 1HG GLN 81 1HG GLN 81 -10.579 10.092 5.000 618 2HG GLN 81 2HG GLN 81 -11.267 8.878 3.941 619 1HE2 GLN 81 2HE2 GLN 81 -11.792 6.947 4.893 620 2HE2 GLN 81 1HE2 GLN 81 -11.103 6.369 6.394 621 H SER 82 H SER 82 -9.810 7.517 0.071 622 HA SER 82 HA SER 82 -9.595 4.838 0.819 623 1HB SER 82 1HB SER 82 -12.019 5.913 1.882 624 2HB SER 82 2HB SER 82 -12.442 4.917 0.503 625 HG SER 82 HG SER 82 -12.255 3.689 2.447 626 H THR 83 H THR 83 -11.504 7.306 -1.013 627 HA THR 83 HA THR 83 -11.581 5.429 -3.260 628 HB THR 83 HB THR 83 -13.154 7.449 -2.626 629 HG1 THR 83 1HG THR 83 -13.935 7.180 -4.748 630 1HG2 THR 83 1HG2 THR 83 -11.608 9.274 -3.205 631 2HG2 THR 83 2HG2 THR 83 -11.467 8.601 -4.865 632 3HG2 THR 83 3HG2 THR 83 -13.044 9.242 -4.286 633 H ARG 84 H ARG 84 -9.484 7.987 -2.179 634 HA ARG 84 HA ARG 84 -8.062 8.062 -4.741 635 1HB ARG 84 1HB ARG 84 -8.535 10.037 -3.028 636 2HB ARG 84 2HB ARG 84 -6.990 9.501 -2.401 637 1HG ARG 84 1HG ARG 84 -6.731 11.291 -4.082 638 2HG ARG 84 2HG ARG 84 -5.962 9.800 -4.589 639 1HD ARG 84 1HD ARG 84 -8.727 9.967 -5.487 640 2HD ARG 84 2HD ARG 84 -7.755 11.298 -6.086 641 HE ARG 84 HE ARG 84 -6.375 8.819 -6.410 642 1HH1 ARG 84 1HH2 ARG 84 -8.975 10.696 -7.859 643 2HH1 ARG 84 2HH2 ARG 84 -8.743 9.950 -9.425 644 1HH2 ARG 84 1HH1 ARG 84 -6.147 7.926 -8.411 645 2HH2 ARG 84 2HH1 ARG 84 -7.187 8.425 -9.727 646 H ILE 85 H ILE 85 -7.481 7.185 -1.408 647 HA ILE 85 HA ILE 85 -4.800 6.409 -1.612 648 HB ILE 85 HB ILE 85 -7.039 5.489 0.159 649 1HG1 ILE 85 1HG1 ILE 85 -6.343 7.843 0.321 650 2HG1 ILE 85 2HG1 ILE 85 -6.023 6.955 1.798 651 1HG2 ILE 85 1HG2 ILE 85 -5.427 3.650 0.024 652 2HG2 ILE 85 2HG2 ILE 85 -4.091 4.793 0.399 653 3HG2 ILE 85 3HG2 ILE 85 -5.350 4.444 1.635 654 1HD1 ILE 85 1HD1 ILE 85 -3.626 6.803 1.212 655 2HD1 ILE 85 2HD1 ILE 85 -3.955 7.712 -0.302 656 3HD1 ILE 85 3HD1 ILE 85 -4.181 8.510 1.292 657 H TYR 86 H TYR 86 -7.745 4.493 -2.001 658 HA TYR 86 HA TYR 86 -6.479 2.045 -2.719 659 1HB TYR 86 1HB TYR 86 -9.190 3.222 -3.134 660 2HB TYR 86 2HB TYR 86 -8.760 1.674 -3.835 661 HD1 TYR 86 1HD TYR 86 -9.560 -0.120 -2.728 662 HD2 TYR 86 2HD TYR 86 -8.238 3.291 -0.449 663 HE1 TYR 86 1HE TYR 86 -10.138 -1.297 -0.619 664 HE2 TYR 86 2HE TYR 86 -8.885 2.159 1.670 665 HH TYR 86 HH TYR 86 -9.805 0.305 2.547 666 H GLN 87 H GLN 87 -7.930 4.692 -4.709 667 HA GLN 87 HA GLN 87 -7.346 3.576 -7.214 668 1HB GLN 87 1HB GLN 87 -7.994 6.169 -6.161 669 2HB GLN 87 2HB GLN 87 -6.824 6.301 -7.459 670 1HG GLN 87 1HG GLN 87 -8.282 5.570 -9.039 671 2HG GLN 87 2HG GLN 87 -9.139 4.527 -7.922 672 1HE2 GLN 87 2HE2 GLN 87 -11.090 5.410 -9.075 673 2HE2 GLN 87 1HE2 GLN 87 -11.729 6.946 -8.535 674 H ILE 88 H ILE 88 -5.089 4.961 -4.909 675 HA ILE 88 HA ILE 88 -2.919 5.072 -6.865 676 HB ILE 88 HB ILE 88 -3.152 5.522 -3.915 677 1HG1 ILE 88 1HG1 ILE 88 -2.265 7.543 -5.929 678 2HG1 ILE 88 2HG1 ILE 88 -3.972 7.187 -5.758 679 1HG2 ILE 88 1HG2 ILE 88 -0.961 4.522 -4.348 680 2HG2 ILE 88 2HG2 ILE 88 -0.672 5.730 -5.647 681 3HG2 ILE 88 3HG2 ILE 88 -0.799 6.264 -3.934 682 1HD1 ILE 88 1HD1 ILE 88 -3.866 7.724 -3.345 683 2HD1 ILE 88 2HD1 ILE 88 -2.114 8.088 -3.520 684 3HD1 ILE 88 3HD1 ILE 88 -3.334 9.116 -4.349 685 H ALA 89 H ALA 89 -3.613 3.151 -3.868 686 HA ALA 89 HA ALA 89 -1.583 1.242 -4.511 687 1HB ALA 89 1HB ALA 89 -2.394 1.546 -2.246 688 2HB ALA 89 2HB ALA 89 -4.028 0.989 -2.750 689 3HB ALA 89 3HB ALA 89 -2.641 -0.155 -2.778 690 H LYS 90 H LYS 90 -4.448 1.775 -6.119 691 HA LYS 90 HA LYS 90 -5.142 -0.925 -6.834 692 1HB LYS 90 1HB LYS 90 -6.941 0.443 -7.069 693 2HB LYS 90 2HB LYS 90 -5.977 1.799 -7.616 694 1HG LYS 90 1HG LYS 90 -6.381 -0.586 -9.367 695 2HG LYS 90 2HG LYS 90 -7.592 0.678 -9.276 696 1HD LYS 90 1HD LYS 90 -4.915 1.760 -9.635 697 2HD LYS 90 2HD LYS 90 -5.354 0.665 -10.930 698 1HE LYS 90 1HE LYS 90 -6.404 2.393 -11.863 699 2HE LYS 90 2HE LYS 90 -7.605 2.222 -10.598 700 1HZ LYS 90 1HZ LYS 90 -6.343 3.735 -9.261 701 2HZ LYS 90 2HZ LYS 90 -5.208 3.897 -10.455 702 3HZ LYS 90 3HZ LYS 90 -6.753 4.442 -10.701 703 H ASN 91 H ASN 91 -3.067 1.600 -8.139 704 HA ASN 91 HA ASN 91 -2.264 -0.093 -10.391 705 1HB ASN 91 1HB ASN 91 -0.912 1.916 -11.044 706 2HB ASN 91 2HB ASN 91 -2.654 2.108 -11.073 707 1HD2 ASN 91 2HD2 ASN 91 -3.583 3.644 -10.006 708 2HD2 ASN 91 1HD2 ASN 91 -2.773 4.754 -8.923 709 H LEU 92 H LEU 92 -1.474 -0.103 -7.257 710 HA LEU 92 HA LEU 92 1.411 -0.124 -7.423 711 1HB LEU 92 1HB LEU 92 -0.645 -0.497 -5.402 712 2HB LEU 92 2HB LEU 92 0.721 -1.572 -5.187 713 HG LEU 92 HG LEU 92 0.989 1.385 -5.524 714 1HD1 LEU 92 1HD1 LEU 92 -0.351 0.929 -3.508 715 2HD1 LEU 92 2HD1 LEU 92 0.891 -0.248 -2.957 716 3HD1 LEU 92 3HD1 LEU 92 1.295 1.500 -3.064 717 1HD2 LEU 92 1HD2 LEU 92 2.898 -0.754 -4.523 718 2HD2 LEU 92 2HD2 LEU 92 2.983 0.081 -6.113 719 3HD2 LEU 92 3HD2 LEU 92 3.247 1.008 -4.595 720 HA PRO 93 HA PRO 93 1.015 -4.868 -7.535 721 1HB PRO 93 1HB PRO 93 -1.473 -6.035 -7.679 722 2HB PRO 93 2HB PRO 93 -0.583 -5.795 -6.189 723 1HG PRO 93 1HG PRO 93 -2.958 -4.377 -7.168 724 2HG PRO 93 2HG PRO 93 -2.314 -4.457 -5.539 725 1HD PRO 93 1HD PRO 93 -2.016 -2.350 -7.423 726 2HD PRO 93 2HD PRO 93 -1.327 -2.453 -5.815 727 H ASN 94 H ASN 94 -0.582 -2.687 -9.520 728 HA ASN 94 HA ASN 94 -0.941 -4.505 -11.792 729 1HB ASN 94 1HB ASN 94 -1.152 -1.527 -11.470 730 2HB ASN 94 2HB ASN 94 -1.455 -2.371 -12.976 731 1HD2 ASN 94 2HD2 ASN 94 -3.414 -0.875 -12.193 732 2HD2 ASN 94 1HD2 ASN 94 -4.713 -1.785 -11.455 733 H VAL 95 H VAL 95 1.332 -2.067 -10.648 734 HA VAL 95 HA VAL 95 3.011 -2.410 -13.062 735 HB VAL 95 HB VAL 95 3.389 -0.411 -10.868 736 1HG1 VAL 95 1HG1 VAL 95 5.351 -0.789 -12.288 737 2HG1 VAL 95 2HG1 VAL 95 4.343 -0.499 -13.749 738 3HG1 VAL 95 3HG1 VAL 95 4.647 0.840 -12.586 739 1HG2 VAL 95 1HG2 VAL 95 1.844 -0.026 -13.465 740 2HG2 VAL 95 2HG2 VAL 95 1.135 -0.044 -11.814 741 3HG2 VAL 95 3HG2 VAL 95 2.264 1.271 -12.293 742 H CYS 96 H CYS 96 2.724 -3.478 -9.889 743 HA CYS 96 HA CYS 96 5.451 -4.617 -9.972 744 1HB CYS 96 1HB CYS 96 3.990 -3.291 -7.745 745 2HB CYS 96 2HB CYS 96 5.116 -4.582 -7.378 746 H ASN 97 H ASN 97 3.069 -5.781 -11.141 747 HA ASN 97 HA ASN 97 1.456 -7.511 -10.038 748 1HB ASN 97 1HB ASN 97 3.426 -8.040 -12.187 749 2HB ASN 97 2HB ASN 97 2.473 -9.378 -11.577 750 1HD2 ASN 97 2HD2 ASN 97 2.277 -6.136 -12.952 751 2HD2 ASN 97 1HD2 ASN 97 0.696 -6.341 -13.672 752 H MET 98 H MET 98 1.641 -8.099 -8.013 753 HA MET 98 HA MET 98 3.846 -9.945 -7.326 754 1HB MET 98 1HB MET 98 3.875 -8.995 -5.075 755 2HB MET 98 2HB MET 98 4.335 -7.848 -6.317 756 1HG MET 98 1HG MET 98 1.537 -7.701 -5.921 757 2HG MET 98 2HG MET 98 2.332 -7.611 -4.362 758 1HE MET 98 1HE MET 98 0.509 -5.294 -5.015 759 2HE MET 98 2HE MET 98 1.637 -5.290 -3.615 760 3HE MET 98 3HE MET 98 1.562 -3.869 -4.713 761 H LYS 99 H LYS 99 0.899 -10.105 -8.161 762 HA LYS 99 HA LYS 99 0.298 -12.302 -6.332 763 1HB LYS 99 1HB LYS 99 -0.789 -10.710 -5.079 764 2HB LYS 99 2HB LYS 99 -1.254 -9.775 -6.485 765 1HG LYS 99 1HG LYS 99 -2.555 -12.265 -6.688 766 2HG LYS 99 2HG LYS 99 -2.768 -11.704 -5.041 767 1HD LYS 99 1HD LYS 99 -4.504 -10.541 -5.893 768 2HD LYS 99 2HD LYS 99 -3.268 -9.423 -6.437 769 1HE LYS 99 1HE LYS 99 -3.797 -11.668 -8.259 770 2HE LYS 99 2HE LYS 99 -5.132 -10.551 -8.057 771 1HZ LYS 99 1HZ LYS 99 -3.675 -8.771 -8.693 772 2HZ LYS 99 2HZ LYS 99 -2.414 -9.826 -8.885 773 3HZ LYS 99 3HZ LYS 99 -3.736 -9.924 -9.879 774 H GLN 100 H GLN 100 0.664 -13.663 -7.999 775 HA GLN 100 HA GLN 100 -1.081 -13.275 -10.349 776 1HB GLN 100 1HB GLN 100 1.492 -13.895 -10.295 777 2HB GLN 100 2HB GLN 100 0.824 -15.515 -10.271 778 1HG GLN 100 1HG GLN 100 -0.316 -13.569 -12.198 779 2HG GLN 100 2HG GLN 100 1.280 -14.206 -12.538 780 1HE2 GLN 100 2HE2 GLN 100 -0.873 -14.550 -14.279 781 2HE2 GLN 100 1HE2 GLN 100 -1.262 -16.254 -14.333 782 H ILE 101 H ILE 101 -2.550 -13.758 -8.144 783 HA ILE 101 HA ILE 101 -3.502 -16.515 -8.593 784 HB ILE 101 HB ILE 101 -2.409 -17.071 -6.716 785 1HG1 ILE 101 1HG1 ILE 101 -4.568 -15.906 -5.068 786 2HG1 ILE 101 2HG1 ILE 101 -5.047 -16.949 -6.392 787 1HG2 ILE 101 1HG2 ILE 101 -1.283 -14.941 -6.272 788 2HG2 ILE 101 2HG2 ILE 101 -2.791 -14.297 -5.533 789 3HG2 ILE 101 3HG2 ILE 101 -1.916 -15.659 -4.750 790 1HD1 ILE 101 1HD1 ILE 101 -3.617 -18.751 -5.521 791 2HD1 ILE 101 2HD1 ILE 101 -3.125 -17.680 -4.162 792 3HD1 ILE 101 3HD1 ILE 101 -4.834 -18.223 -4.306 793 H GLY 102 H GLY 102 -4.208 -13.543 -6.750 794 1HA GLY 102 1HA GLY 102 -6.152 -12.201 -7.416 795 2HA GLY 102 2HA GLY 102 -6.969 -13.682 -7.871 796 H THR 103 H THR 103 -5.756 -11.770 -5.199 797 HA THR 103 HA THR 103 -7.205 -13.475 -3.262 798 HB THR 103 HB THR 103 -5.437 -11.302 -2.362 799 HG1 THR 103 1HG THR 103 -3.580 -12.600 -2.696 800 1HG2 THR 103 1HG2 THR 103 -6.532 -12.744 -0.732 801 2HG2 THR 103 2HG2 THR 103 -5.791 -14.187 -1.506 802 3HG2 THR 103 3HG2 THR 103 -4.750 -12.974 -0.684 803 H CYS 104 H CYS 104 -6.573 -10.021 -3.848 804 HA CYS 104 HA CYS 104 -9.434 -9.455 -3.443 805 1HB CYS 104 1HB CYS 104 -8.920 -7.512 -2.214 806 2HB CYS 104 2HB CYS 104 -8.070 -8.859 -1.483 807 HA PRO 105 HA PRO 105 -7.927 -7.836 -7.479 808 1HB PRO 105 1HB PRO 105 -9.679 -9.191 -9.106 809 2HB PRO 105 2HB PRO 105 -8.056 -9.732 -8.727 810 1HG PRO 105 1HG PRO 105 -10.630 -10.766 -7.749 811 2HG PRO 105 2HG PRO 105 -9.063 -11.549 -7.769 812 1HD PRO 105 1HD PRO 105 -10.347 -10.325 -5.546 813 2HD PRO 105 2HD PRO 105 -8.736 -11.013 -5.594 814 H PHE 106 H PHE 106 -9.288 -6.378 -5.711 815 HA PHE 106 HA PHE 106 -11.899 -5.579 -6.660 816 1HB PHE 106 1HB PHE 106 -11.760 -3.969 -4.892 817 2HB PHE 106 2HB PHE 106 -11.167 -5.515 -4.316 818 HD1 PHE 106 1HD PHE 106 -8.915 -5.717 -3.402 819 HD2 PHE 106 2HD PHE 106 -10.156 -2.129 -5.405 820 HE1 PHE 106 1HE PHE 106 -6.792 -4.601 -2.741 821 HE2 PHE 106 2HE PHE 106 -8.006 -1.034 -4.808 822 HZ PHE 106 HZ PHE 106 -6.333 -2.251 -3.425 823 H ILE 107 H ILE 107 -9.036 -5.206 -8.129 824 HA ILE 107 HA ILE 107 -8.657 -2.495 -8.700 825 HB ILE 107 HB ILE 107 -7.726 -3.299 -10.881 826 1HG1 ILE 107 1HG1 ILE 107 -8.113 -6.106 -9.885 827 2HG1 ILE 107 2HG1 ILE 107 -9.280 -5.369 -10.963 828 1HG2 ILE 107 1HG2 ILE 107 -6.358 -3.013 -8.877 829 2HG2 ILE 107 2HG2 ILE 107 -6.815 -4.661 -8.320 830 3HG2 ILE 107 3HG2 ILE 107 -5.810 -4.458 -9.798 831 1HD1 ILE 107 1HD1 ILE 107 -7.510 -4.944 -12.629 832 2HD1 ILE 107 2HD1 ILE 107 -6.311 -5.700 -11.522 833 3HD1 ILE 107 3HD1 ILE 107 -7.633 -6.693 -12.229 834 H ALA 108 H ALA 108 -9.752 -1.037 -9.735 835 HA ALA 108 HA ALA 108 -11.292 -1.005 -11.939 836 1HB ALA 108 1HB ALA 108 -12.719 -2.830 -11.156 837 2HB ALA 108 2HB ALA 108 -13.116 -1.886 -9.678 838 3HB ALA 108 3HB ALA 108 -13.656 -1.302 -11.291 839 H ILE 109 H ILE 109 -10.952 -0.009 -8.682 840 HA ILE 109 HA ILE 109 -12.535 2.221 -8.388 841 HB ILE 109 HB ILE 109 -9.673 2.044 -7.519 842 1HG1 ILE 109 1HG1 ILE 109 -11.505 1.375 -5.427 843 2HG1 ILE 109 2HG1 ILE 109 -11.749 0.298 -6.787 844 1HG2 ILE 109 1HG2 ILE 109 -10.625 4.282 -7.155 845 2HG2 ILE 109 2HG2 ILE 109 -12.014 3.542 -6.285 846 3HG2 ILE 109 3HG2 ILE 109 -10.357 3.432 -5.594 847 1HD1 ILE 109 1HD1 ILE 109 -9.338 -0.161 -6.888 848 2HD1 ILE 109 2HD1 ILE 109 -9.086 0.945 -5.493 849 3HD1 ILE 109 3HD1 ILE 109 -10.017 -0.578 -5.276 Start of MODEL 16 1 1H GLN 1 1H GLN 1 2.195 -18.230 5.969 2 2H GLN 1 2H GLN 1 2.181 -19.876 6.148 3 3H GLN 1 3H GLN 1 3.610 -19.084 5.880 4 HA GLN 1 HA GLN 1 2.869 -18.404 3.728 5 1HB GLN 1 1HB GLN 1 3.306 -21.204 4.427 6 2HB GLN 1 2HB GLN 1 2.417 -20.980 2.933 7 1HG GLN 1 1HG GLN 1 4.157 -19.762 1.942 8 2HG GLN 1 2HG GLN 1 4.908 -19.406 3.485 9 1HE2 GLN 1 2HE2 GLN 1 6.545 -20.660 4.138 10 2HE2 GLN 1 1HE2 GLN 1 6.908 -22.255 3.518 11 HA PRO 2 HA PRO 2 -1.440 -20.270 2.998 12 1HB PRO 2 1HB PRO 2 -2.824 -21.307 5.169 13 2HB PRO 2 2HB PRO 2 -1.992 -22.247 3.947 14 1HG PRO 2 1HG PRO 2 -1.220 -21.748 6.722 15 2HG PRO 2 2HG PRO 2 -0.617 -22.963 5.613 16 1HD PRO 2 1HD PRO 2 0.649 -20.548 6.378 17 2HD PRO 2 2HD PRO 2 1.205 -21.716 5.196 18 H GLN 3 H GLN 3 -3.899 -19.902 4.538 19 HA GLN 3 HA GLN 3 -4.348 -17.180 4.624 20 1HB GLN 3 1HB GLN 3 -5.774 -19.392 5.300 21 2HB GLN 3 2HB GLN 3 -5.545 -18.643 6.868 22 1HG GLN 3 1HG GLN 3 -7.298 -17.338 6.361 23 2HG GLN 3 2HG GLN 3 -6.228 -16.516 5.241 24 1HE2 GLN 3 2HE2 GLN 3 -8.583 -16.139 4.429 25 2HE2 GLN 3 1HE2 GLN 3 -9.101 -17.249 3.180 26 H LYS 4 H LYS 4 -2.801 -19.086 7.184 27 HA LYS 4 HA LYS 4 -2.656 -17.276 9.244 28 1HB LYS 4 1HB LYS 4 -1.432 -19.597 8.698 29 2HB LYS 4 2HB LYS 4 -0.081 -18.488 8.593 30 1HG LYS 4 1HG LYS 4 -1.920 -18.181 10.899 31 2HG LYS 4 2HG LYS 4 -0.849 -19.566 10.907 32 1HD LYS 4 1HD LYS 4 1.018 -17.845 10.410 33 2HD LYS 4 2HD LYS 4 -0.143 -16.654 10.958 34 1HE LYS 4 1HE LYS 4 0.341 -17.142 13.084 35 2HE LYS 4 2HE LYS 4 -0.136 -18.807 12.819 36 1HZ LYS 4 1HZ LYS 4 2.076 -19.263 12.035 37 2HZ LYS 4 2HZ LYS 4 2.526 -17.689 12.287 38 3HZ LYS 4 3HZ LYS 4 2.123 -18.651 13.574 39 H CYS 5 H CYS 5 -0.774 -16.984 6.264 40 HA CYS 5 HA CYS 5 0.811 -14.754 6.714 41 1HB CYS 5 1HB CYS 5 0.142 -16.276 4.551 42 2HB CYS 5 2HB CYS 5 -0.593 -14.737 4.150 43 H GLN 6 H GLN 6 -2.620 -14.703 5.577 44 HA GLN 6 HA GLN 6 -3.070 -11.979 5.764 45 1HB GLN 6 1HB GLN 6 -4.745 -14.346 5.878 46 2HB GLN 6 2HB GLN 6 -5.415 -12.962 6.719 47 1HG GLN 6 1HG GLN 6 -4.305 -12.188 4.175 48 2HG GLN 6 2HG GLN 6 -5.505 -13.449 3.983 49 1HE2 GLN 6 2HE2 GLN 6 -5.059 -10.489 6.001 50 2HE2 GLN 6 1HE2 GLN 6 -6.700 -9.920 5.794 51 H ARG 7 H ARG 7 -2.589 -14.103 8.422 52 HA ARG 7 HA ARG 7 -3.177 -11.980 10.377 53 1HB ARG 7 1HB ARG 7 -3.771 -14.688 10.359 54 2HB ARG 7 2HB ARG 7 -2.435 -14.541 11.482 55 1HG ARG 7 1HG ARG 7 -3.618 -13.190 12.923 56 2HG ARG 7 2HG ARG 7 -4.606 -12.514 11.643 57 1HD ARG 7 1HD ARG 7 -5.741 -14.744 11.455 58 2HD ARG 7 2HD ARG 7 -4.858 -15.250 12.882 59 HE ARG 7 HE ARG 7 -7.122 -13.413 12.759 60 1HH1 ARG 7 1HH2 ARG 7 -4.472 -14.578 14.737 61 2HH1 ARG 7 2HH2 ARG 7 -5.205 -14.001 16.217 62 1HH2 ARG 7 1HH1 ARG 7 -7.992 -12.686 14.693 63 2HH2 ARG 7 2HH1 ARG 7 -7.134 -12.964 16.192 64 H GLU 8 H GLU 8 -0.555 -13.390 8.787 65 HA GLU 8 HA GLU 8 1.416 -12.889 10.884 66 1HB GLU 8 1HB GLU 8 1.290 -14.652 8.670 67 2HB GLU 8 2HB GLU 8 2.671 -13.595 8.457 68 1HG GLU 8 1HG GLU 8 2.993 -14.136 11.039 69 2HG GLU 8 2HG GLU 8 2.124 -15.587 10.583 70 H PHE 9 H PHE 9 0.175 -11.522 7.972 71 HA PHE 9 HA PHE 9 2.265 -9.656 7.476 72 1HB PHE 9 1HB PHE 9 0.957 -9.974 5.657 73 2HB PHE 9 2HB PHE 9 -0.515 -10.083 6.601 74 HD1 PHE 9 1HD PHE 9 -1.572 -7.959 7.508 75 HD2 PHE 9 2HD PHE 9 1.513 -7.981 4.498 76 HE1 PHE 9 1HE PHE 9 -1.899 -5.525 7.183 77 HE2 PHE 9 2HE PHE 9 0.780 -5.702 3.803 78 HZ PHE 9 HZ PHE 9 -0.796 -4.415 5.241 79 H GLN 10 H GLN 10 -0.735 -9.529 9.293 80 HA GLN 10 HA GLN 10 -0.196 -6.748 10.074 81 1HB GLN 10 1HB GLN 10 -2.434 -6.985 9.477 82 2HB GLN 10 2HB GLN 10 -2.583 -8.527 10.296 83 1HG GLN 10 1HG GLN 10 -2.557 -7.501 12.432 84 2HG GLN 10 2HG GLN 10 -2.059 -5.961 11.759 85 1HE2 GLN 10 2HE2 GLN 10 -3.888 -5.439 13.307 86 2HE2 GLN 10 1HE2 GLN 10 -5.470 -5.323 12.567 87 H GLN 11 H GLN 11 0.255 -9.953 11.211 88 HA GLN 11 HA GLN 11 -0.073 -9.873 13.902 89 1HB GLN 11 1HB GLN 11 1.209 -11.522 12.223 90 2HB GLN 11 2HB GLN 11 2.584 -10.805 13.041 91 1HG GLN 11 1HG GLN 11 0.634 -11.417 15.005 92 2HG GLN 11 2HG GLN 11 0.809 -12.827 13.981 93 1HE2 GLN 11 2HE2 GLN 11 1.446 -12.987 16.639 94 2HE2 GLN 11 1HE2 GLN 11 3.176 -13.193 16.787 95 H GLU 12 H GLU 12 2.611 -8.456 12.112 96 HA GLU 12 HA GLU 12 3.144 -6.244 13.636 97 1HB GLU 12 1HB GLU 12 5.247 -7.160 14.845 98 2HB GLU 12 2HB GLU 12 3.660 -7.227 15.585 99 1HG GLU 12 1HG GLU 12 3.561 -9.495 15.508 100 2HG GLU 12 2HG GLU 12 4.464 -9.593 14.009 101 H GLN 13 H GLN 13 3.256 -7.191 10.917 102 HA GLN 13 HA GLN 13 5.869 -6.091 10.261 103 1HB GLN 13 1HB GLN 13 5.909 -8.720 10.573 104 2HB GLN 13 2HB GLN 13 5.342 -8.678 8.916 105 1HG GLN 13 1HG GLN 13 7.230 -7.131 8.383 106 2HG GLN 13 2HG GLN 13 7.831 -7.381 10.010 107 1HE2 GLN 13 2HE2 GLN 13 9.808 -8.151 9.049 108 2HE2 GLN 13 1HE2 GLN 13 9.896 -9.784 8.428 109 H HIS 14 H HIS 14 3.603 -4.767 9.927 110 HA HIS 14 HA HIS 14 2.233 -5.388 7.479 111 1HB HIS 14 1HB HIS 14 2.236 -2.639 8.570 112 2HB HIS 14 2HB HIS 14 0.914 -3.578 7.906 113 HD1 HIS 14 1HD HIS 14 0.452 -1.958 10.515 114 HD2 HIS 14 2HD HIS 14 1.791 -5.946 10.345 115 HE1 HIS 14 1HE HIS 14 -0.105 -3.031 12.799 116 HE2 HIS 14 2HE HIS 14 0.771 -5.437 12.680 117 H LEU 15 H LEU 15 2.202 -2.749 6.301 118 HA LEU 15 HA LEU 15 4.942 -2.731 5.169 119 1HB LEU 15 1HB LEU 15 2.497 -1.775 3.761 120 2HB LEU 15 2HB LEU 15 4.054 -2.199 3.082 121 HG LEU 15 HG LEU 15 1.935 -4.014 4.147 122 1HD1 LEU 15 1HD1 LEU 15 1.606 -3.288 1.887 123 2HD1 LEU 15 2HD1 LEU 15 3.276 -3.799 1.459 124 3HD1 LEU 15 3HD1 LEU 15 2.047 -5.030 1.915 125 1HD2 LEU 15 1HD2 LEU 15 4.719 -4.916 3.366 126 2HD2 LEU 15 2HD2 LEU 15 4.006 -4.973 5.015 127 3HD2 LEU 15 3HD2 LEU 15 3.318 -5.990 3.702 128 H ARG 16 H ARG 16 5.627 -0.687 4.335 129 HA ARG 16 HA ARG 16 4.621 1.704 5.721 130 1HB ARG 16 1HB ARG 16 7.443 0.742 5.676 131 2HB ARG 16 2HB ARG 16 6.992 2.398 6.029 132 1HG ARG 16 1HG ARG 16 5.419 0.550 7.582 133 2HG ARG 16 2HG ARG 16 7.131 0.280 7.835 134 1HD ARG 16 1HD ARG 16 7.040 2.982 7.931 135 2HD ARG 16 2HD ARG 16 5.462 2.585 8.583 136 HE ARG 16 HE ARG 16 7.556 0.971 9.723 137 1HH1 ARG 16 1HH2 ARG 16 5.914 4.039 10.013 138 2HH1 ARG 16 2HH2 ARG 16 6.404 4.250 11.679 139 1HH2 ARG 16 1HH1 ARG 16 8.188 1.297 11.834 140 2HH2 ARG 16 2HH1 ARG 16 7.664 2.730 12.690 141 H ALA 17 H ALA 17 7.627 1.586 3.856 142 HA ALA 17 HA ALA 17 7.307 3.578 2.144 143 1HB ALA 17 1HB ALA 17 9.268 2.127 2.107 144 2HB ALA 17 2HB ALA 17 8.299 0.829 1.327 145 3HB ALA 17 3HB ALA 17 8.629 2.359 0.442 146 H CYS 18 H CYS 18 5.999 0.367 1.120 147 HA CYS 18 HA CYS 18 4.482 1.129 -1.044 148 1HB CYS 18 1HB CYS 18 4.853 -1.160 0.305 149 2HB CYS 18 2HB CYS 18 3.183 -0.809 0.712 150 H GLN 19 H GLN 19 3.046 0.788 2.212 151 HA GLN 19 HA GLN 19 0.913 2.600 1.528 152 1HB GLN 19 1HB GLN 19 0.092 2.122 3.671 153 2HB GLN 19 2HB GLN 19 0.673 0.644 2.928 154 1HG GLN 19 1HG GLN 19 1.531 0.302 4.967 155 2HG GLN 19 2HG GLN 19 2.838 1.281 4.332 156 1HE2 GLN 19 2HE2 GLN 19 -0.356 1.911 5.777 157 2HE2 GLN 19 1HE2 GLN 19 0.221 3.040 6.984 158 H GLN 20 H GLN 20 3.491 3.921 1.250 159 HA GLN 20 HA GLN 20 3.119 6.073 3.225 160 1HB GLN 20 1HB GLN 20 5.670 4.567 2.914 161 2HB GLN 20 2HB GLN 20 5.675 6.263 3.355 162 1HG GLN 20 1HG GLN 20 3.796 4.785 4.974 163 2HG GLN 20 2HG GLN 20 5.398 4.079 5.075 164 1HE2 GLN 20 2HE2 GLN 20 6.559 4.791 6.708 165 2HE2 GLN 20 1HE2 GLN 20 6.488 6.403 7.382 166 H TRP 21 H TRP 21 4.950 4.919 0.396 167 HA TRP 21 HA TRP 21 5.491 7.397 -0.737 168 1HB TRP 21 1HB TRP 21 5.815 6.300 -2.755 169 2HB TRP 21 2HB TRP 21 6.294 5.192 -1.487 170 HD1 TRP 21 HD TRP 21 5.458 2.829 -1.679 171 HE1 TRP 21 1HE TRP 21 3.554 1.634 -2.969 172 HE3 TRP 21 3HE TRP 21 3.510 6.872 -4.055 173 HZ2 TRP 21 2HZ TRP 21 1.495 2.405 -4.843 174 HZ3 TRP 21 3HZ TRP 21 1.589 6.644 -5.595 175 HH2 TRP 21 HH TRP 21 0.700 4.377 -6.116 176 H ILE 22 H ILE 22 2.485 5.635 -0.613 177 HA ILE 22 HA ILE 22 1.057 7.190 -2.529 178 HB ILE 22 HB ILE 22 -0.042 5.726 -0.137 179 1HG1 ILE 22 1HG1 ILE 22 0.572 4.671 -2.888 180 2HG1 ILE 22 2HG1 ILE 22 1.489 4.292 -1.444 181 1HG2 ILE 22 1HG2 ILE 22 -1.649 7.159 -1.364 182 2HG2 ILE 22 2HG2 ILE 22 -1.172 6.348 -2.896 183 3HG2 ILE 22 3HG2 ILE 22 -2.010 5.415 -1.608 184 1HD1 ILE 22 1HD1 ILE 22 -0.479 3.217 -0.447 185 2HD1 ILE 22 2HD1 ILE 22 -1.421 3.605 -1.929 186 3HD1 ILE 22 3HD1 ILE 22 -0.033 2.466 -2.019 187 H ARG 23 H ARG 23 1.965 7.737 0.722 188 HA ARG 23 HA ARG 23 0.376 10.181 1.083 189 1HB ARG 23 1HB ARG 23 2.329 9.171 3.082 190 2HB ARG 23 2HB ARG 23 0.812 10.014 3.335 191 1HG ARG 23 1HG ARG 23 1.160 7.122 2.555 192 2HG ARG 23 2HG ARG 23 0.576 7.733 4.090 193 1HD ARG 23 1HD ARG 23 -0.783 7.698 1.436 194 2HD ARG 23 2HD ARG 23 -1.378 7.144 2.987 195 HE ARG 23 HE ARG 23 -1.863 9.656 1.831 196 1HH1 ARG 23 1HH2 ARG 23 -0.942 8.385 4.972 197 2HH1 ARG 23 2HH2 ARG 23 -1.628 9.757 5.810 198 1HH2 ARG 23 1HH1 ARG 23 -2.690 11.376 3.018 199 2HH2 ARG 23 2HH1 ARG 23 -2.567 11.363 4.762 200 H GLN 24 H GLN 24 3.498 9.224 0.000 201 HA GLN 24 HA GLN 24 4.834 11.657 0.759 202 1HB GLN 24 1HB GLN 24 5.326 9.385 -1.049 203 2HB GLN 24 2HB GLN 24 6.186 10.872 -1.393 204 1HG GLN 24 1HG GLN 24 7.588 9.584 -0.001 205 2HG GLN 24 2HG GLN 24 6.947 10.886 0.980 206 1HE2 GLN 24 2HE2 GLN 24 5.181 10.355 2.488 207 2HE2 GLN 24 1HE2 GLN 24 5.168 8.747 3.177 208 H GLN 25 H GLN 25 2.232 11.188 -1.364 209 HA GLN 25 HA GLN 25 2.957 13.245 -3.246 210 1HB GLN 25 1HB GLN 25 0.834 11.428 -2.795 211 2HB GLN 25 2HB GLN 25 0.145 13.030 -2.962 212 1HG GLN 25 1HG GLN 25 2.300 12.235 -4.844 213 2HG GLN 25 2HG GLN 25 0.714 11.527 -5.077 214 1HE2 GLN 25 2HE2 GLN 25 1.733 12.983 -7.094 215 2HE2 GLN 25 1HE2 GLN 25 0.874 14.501 -7.236 216 H LEU 26 H LEU 26 2.141 13.448 0.053 217 HA LEU 26 HA LEU 26 1.333 16.281 -0.289 218 1HB LEU 26 1HB LEU 26 0.645 14.939 2.226 219 2HB LEU 26 2HB LEU 26 -0.277 16.085 1.273 220 HG LEU 26 HG LEU 26 -0.435 13.875 -0.282 221 1HD1 LEU 26 1HD1 LEU 26 0.717 12.448 1.323 222 2HD1 LEU 26 2HD1 LEU 26 -0.486 12.897 2.581 223 3HD1 LEU 26 3HD1 LEU 26 -1.001 11.953 1.140 224 1HD2 LEU 26 1HD2 LEU 26 -2.308 14.540 1.990 225 2HD2 LEU 26 2HD2 LEU 26 -2.342 15.256 0.342 226 3HD2 LEU 26 3HD2 LEU 26 -2.693 13.508 0.569 227 H ALA 27 H ALA 27 2.182 17.762 1.287 228 HA ALA 27 HA ALA 27 4.871 17.532 1.920 229 1HB ALA 27 1HB ALA 27 3.634 19.634 1.968 230 2HB ALA 27 2HB ALA 27 2.714 19.064 3.403 231 3HB ALA 27 3HB ALA 27 4.481 19.370 3.532 232 H GLY 28 H GLY 28 2.176 16.284 3.784 233 1HA GLY 28 1HA GLY 28 3.501 15.478 6.139 234 2HA GLY 28 2HA GLY 28 2.074 14.733 5.445 235 H SER 29 H SER 29 5.119 14.176 6.405 236 HA SER 29 HA SER 29 5.397 11.533 5.803 237 1HB SER 29 1HB SER 29 5.536 11.693 3.518 238 2HB SER 29 2HB SER 29 6.392 13.220 3.571 239 HG SER 29 HG SER 29 7.694 11.509 2.851 240 HA PRO 30 HA PRO 30 8.902 12.461 8.418 241 1HB PRO 30 1HB PRO 30 10.091 9.985 8.420 242 2HB PRO 30 2HB PRO 30 8.723 10.399 9.434 243 1HG PRO 30 1HG PRO 30 8.804 8.695 7.042 244 2HG PRO 30 2HG PRO 30 7.587 8.771 8.301 245 1HD PRO 30 1HD PRO 30 7.461 9.926 5.704 246 2HD PRO 30 2HD PRO 30 6.283 10.071 6.991 247 H PHE 31 H PHE 31 11.381 11.881 8.383 248 HA PHE 31 HA PHE 31 12.867 11.502 6.071 249 1HB PHE 31 1HB PHE 31 13.375 14.030 5.652 250 2HB PHE 31 2HB PHE 31 12.038 13.243 4.838 251 HD1 PHE 31 1HD PHE 31 10.068 14.523 4.659 252 HD2 PHE 31 2HD PHE 31 12.601 15.063 8.102 253 HE1 PHE 31 1HE PHE 31 8.441 16.131 5.608 254 HE2 PHE 31 2HE PHE 31 10.911 16.574 9.110 255 HZ PHE 31 HZ PHE 31 8.849 17.155 7.836 256 H SER 32 H SER 32 15.104 12.140 6.293 257 HA SER 32 HA SER 32 15.865 13.486 8.790 258 1HB SER 32 1HB SER 32 15.998 10.662 8.518 259 2HB SER 32 2HB SER 32 17.637 11.281 8.529 260 HG SER 32 HG SER 32 16.830 10.897 10.641 261 H GLU 33 H GLU 33 17.583 11.558 6.336 262 HA GLU 33 HA GLU 33 19.407 13.835 5.948 263 1HB GLU 33 1HB GLU 33 19.677 10.917 5.765 264 2HB GLU 33 2HB GLU 33 20.559 11.835 4.561 265 1HG GLU 33 1HG GLU 33 22.153 12.003 6.135 266 2HG GLU 33 2HG GLU 33 21.113 13.218 6.850 267 H ASN 34 H ASN 34 18.817 11.320 3.589 268 HA ASN 34 HA ASN 34 18.651 13.006 1.370 269 1HB ASN 34 1HB ASN 34 18.656 10.263 1.836 270 2HB ASN 34 2HB ASN 34 17.129 10.566 1.030 271 1HD2 ASN 34 2HD2 ASN 34 17.267 10.234 -1.100 272 2HD2 ASN 34 1HD2 ASN 34 18.636 10.658 -2.102 273 H GLN 35 H GLN 35 16.689 13.085 -0.143 274 HA GLN 35 HA GLN 35 14.435 14.141 1.311 275 1HB GLN 35 1HB GLN 35 15.416 13.972 -1.413 276 2HB GLN 35 2HB GLN 35 13.670 13.924 -1.288 277 1HG GLN 35 1HG GLN 35 13.579 16.114 -0.835 278 2HG GLN 35 2HG GLN 35 14.754 15.949 0.454 279 1HE2 GLN 35 2HE2 GLN 35 16.661 16.879 0.198 280 2HE2 GLN 35 1HE2 GLN 35 17.348 17.383 -1.330 281 H TRP 36 H TRP 36 14.584 11.728 2.425 282 HA TRP 36 HA TRP 36 12.857 9.789 1.246 283 1HB TRP 36 1HB TRP 36 14.477 9.623 3.244 284 2HB TRP 36 2HB TRP 36 13.100 10.182 4.173 285 HD1 TRP 36 HD TRP 36 11.394 8.206 1.764 286 HE1 TRP 36 1HE TRP 36 11.013 5.792 2.566 287 HE3 TRP 36 3HE TRP 36 14.900 8.020 5.482 288 HZ2 TRP 36 2HZ TRP 36 12.157 3.977 4.469 289 HZ3 TRP 36 3HZ TRP 36 15.279 5.919 6.737 290 HH2 TRP 36 HH TRP 36 13.919 3.897 6.243 291 H GLY 37 H GLY 37 12.183 12.869 2.330 292 1HA GLY 37 1HA GLY 37 9.596 12.653 3.407 293 2HA GLY 37 2HA GLY 37 10.270 14.037 2.570 294 HA PRO 38 HA PRO 38 6.848 12.601 0.014 295 1HB PRO 38 1HB PRO 38 6.127 15.085 -0.830 296 2HB PRO 38 2HB PRO 38 5.466 14.256 0.564 297 1HG PRO 38 1HG PRO 38 7.299 16.538 0.468 298 2HG PRO 38 2HG PRO 38 6.293 15.981 1.791 299 1HD PRO 38 1HD PRO 38 9.090 15.538 1.436 300 2HD PRO 38 2HD PRO 38 8.071 14.924 2.723 301 H GLN 39 H GLN 39 9.529 14.664 -0.636 302 HA GLN 39 HA GLN 39 9.581 15.278 -3.259 303 1HB GLN 39 1HB GLN 39 11.491 15.172 -1.313 304 2HB GLN 39 2HB GLN 39 12.045 13.896 -2.378 305 1HG GLN 39 1HG GLN 39 11.422 16.714 -3.174 306 2HG GLN 39 2HG GLN 39 13.025 16.041 -2.957 307 1HE2 GLN 39 2HE2 GLN 39 12.039 17.363 -5.257 308 2HE2 GLN 39 1HE2 GLN 39 12.064 16.222 -6.583 309 H GLN 40 H GLN 40 8.745 14.142 -4.785 310 HA GLN 40 HA GLN 40 7.674 12.092 -5.511 311 1HB GLN 40 1HB GLN 40 10.189 12.907 -6.929 312 2HB GLN 40 2HB GLN 40 9.082 11.727 -7.599 313 1HG GLN 40 1HG GLN 40 7.588 13.296 -8.192 314 2HG GLN 40 2HG GLN 40 7.779 14.176 -6.689 315 1HE2 GLN 40 2HE2 GLN 40 9.182 15.906 -6.570 316 2HE2 GLN 40 1HE2 GLN 40 10.047 16.526 -7.958 317 H GLY 41 H GLY 41 8.059 10.588 -3.650 318 1HA GLY 41 1HA GLY 41 10.428 9.602 -2.790 319 2HA GLY 41 2HA GLY 41 8.932 8.694 -2.694 320 HA PRO 42 HA PRO 42 11.303 7.460 -6.610 321 1HB PRO 42 1HB PRO 42 14.076 7.415 -6.407 322 2HB PRO 42 2HB PRO 42 13.142 8.687 -7.169 323 1HG PRO 42 1HG PRO 42 14.531 8.717 -4.587 324 2HG PRO 42 2HG PRO 42 13.936 10.067 -5.533 325 1HD PRO 42 1HD PRO 42 12.747 8.974 -3.208 326 2HD PRO 42 2HD PRO 42 12.063 10.197 -4.258 327 H SER 43 H SER 43 13.488 6.758 -3.919 328 HA SER 43 HA SER 43 13.497 3.912 -4.395 329 1HB SER 43 1HB SER 43 14.450 5.111 -1.845 330 2HB SER 43 2HB SER 43 15.100 3.758 -2.748 331 HG SER 43 HG SER 43 16.404 5.634 -2.920 332 H LEU 44 H LEU 44 11.053 4.073 -4.343 333 HA LEU 44 HA LEU 44 10.142 3.112 -1.716 334 1HB LEU 44 1HB LEU 44 9.169 5.503 -3.147 335 2HB LEU 44 2HB LEU 44 7.948 4.439 -2.477 336 HG LEU 44 HG LEU 44 10.192 5.138 -0.682 337 1HD1 LEU 44 1HD1 LEU 44 9.806 7.284 -1.761 338 2HD1 LEU 44 2HD1 LEU 44 8.049 7.136 -1.408 339 3HD1 LEU 44 3HD1 LEU 44 9.225 7.299 -0.059 340 1HD2 LEU 44 1HD2 LEU 44 7.196 5.106 -0.266 341 2HD2 LEU 44 2HD2 LEU 44 8.332 3.771 0.138 342 3HD2 LEU 44 3HD2 LEU 44 8.440 5.340 1.010 343 H ARG 45 H ARG 45 9.492 3.520 -5.227 344 HA ARG 45 HA ARG 45 7.507 1.473 -5.350 345 1HB ARG 45 1HB ARG 45 9.020 3.062 -7.217 346 2HB ARG 45 2HB ARG 45 8.800 1.423 -7.797 347 1HG ARG 45 1HG ARG 45 7.009 3.096 -8.433 348 2HG ARG 45 2HG ARG 45 6.458 1.593 -7.719 349 1HD ARG 45 1HD ARG 45 5.440 2.691 -6.053 350 2HD ARG 45 2HD ARG 45 6.913 3.555 -5.659 351 HE ARG 45 HE ARG 45 4.642 4.582 -7.073 352 1HH1 ARG 45 1HH2 ARG 45 8.156 4.834 -6.903 353 2HH1 ARG 45 2HH2 ARG 45 8.157 6.459 -7.550 354 1HH2 ARG 45 1HH1 ARG 45 4.733 6.655 -7.890 355 2HH2 ARG 45 2HH1 ARG 45 6.276 7.458 -8.091 356 H GLU 46 H GLU 46 10.992 1.319 -5.921 357 HA GLU 46 HA GLU 46 10.997 -1.522 -6.375 358 1HB GLU 46 1HB GLU 46 13.203 0.382 -5.637 359 2HB GLU 46 2HB GLU 46 13.447 -1.283 -6.128 360 1HG GLU 46 1HG GLU 46 11.934 -0.470 -8.178 361 2HG GLU 46 2HG GLU 46 12.656 1.068 -7.753 362 H GLN 47 H GLN 47 11.401 0.559 -3.568 363 HA GLN 47 HA GLN 47 12.146 -1.574 -1.802 364 1HB GLN 47 1HB GLN 47 11.806 1.242 -1.594 365 2HB GLN 47 2HB GLN 47 10.888 0.463 -0.321 366 1HG GLN 47 1HG GLN 47 13.024 -0.973 0.017 367 2HG GLN 47 2HG GLN 47 13.829 0.293 -0.885 368 1HE2 GLN 47 2HE2 GLN 47 11.561 -0.118 1.860 369 2HE2 GLN 47 1HE2 GLN 47 12.240 1.178 2.818 370 H CYS 48 H CYS 48 9.001 -0.021 -2.573 371 HA CYS 48 HA CYS 48 7.473 -1.621 -0.739 372 1HB CYS 48 1HB CYS 48 6.210 0.114 -1.401 373 2HB CYS 48 2HB CYS 48 6.903 0.140 -3.010 374 H CYS 49 H CYS 49 8.455 -2.078 -4.145 375 HA CYS 49 HA CYS 49 7.072 -4.564 -4.451 376 1HB CYS 49 1HB CYS 49 8.938 -3.002 -5.953 377 2HB CYS 49 2HB CYS 49 9.327 -4.708 -6.037 378 H ASN 50 H ASN 50 9.394 -3.946 -2.239 379 HA ASN 50 HA ASN 50 10.354 -6.744 -2.126 380 1HB ASN 50 1HB ASN 50 11.915 -4.506 -2.427 381 2HB ASN 50 2HB ASN 50 11.951 -4.765 -0.695 382 1HD2 ASN 50 2HD2 ASN 50 12.126 -6.591 -3.740 383 2HD2 ASN 50 1HD2 ASN 50 13.368 -7.703 -3.207 384 H GLU 51 H GLU 51 9.521 -3.872 -0.255 385 HA GLU 51 HA GLU 51 9.297 -5.181 2.288 386 1HB GLU 51 1HB GLU 51 9.253 -3.078 3.020 387 2HB GLU 51 2HB GLU 51 9.364 -2.551 1.352 388 1HG GLU 51 1HG GLU 51 6.914 -2.609 1.199 389 2HG GLU 51 2HG GLU 51 6.839 -3.058 2.890 390 H LEU 52 H LEU 52 7.361 -5.396 -0.439 391 HA LEU 52 HA LEU 52 5.086 -6.175 1.289 392 1HB LEU 52 1HB LEU 52 3.674 -5.107 -0.055 393 2HB LEU 52 2HB LEU 52 5.108 -4.208 -0.504 394 HG LEU 52 HG LEU 52 4.056 -4.665 -2.507 395 1HD1 LEU 52 1HD1 LEU 52 6.402 -5.407 -2.848 396 2HD1 LEU 52 2HD1 LEU 52 5.911 -7.066 -2.357 397 3HD1 LEU 52 3HD1 LEU 52 5.230 -6.333 -3.850 398 1HD2 LEU 52 1HD2 LEU 52 3.557 -7.417 -1.359 399 2HD2 LEU 52 2HD2 LEU 52 2.372 -6.073 -1.513 400 3HD2 LEU 52 3HD2 LEU 52 3.023 -6.869 -2.987 401 H TYR 53 H TYR 53 7.542 -7.166 -0.765 402 HA TYR 53 HA TYR 53 6.236 -9.688 -1.575 403 1HB TYR 53 1HB TYR 53 7.621 -7.837 -3.019 404 2HB TYR 53 2HB TYR 53 8.866 -9.014 -2.653 405 HD1 TYR 53 1HD TYR 53 7.833 -11.590 -2.951 406 HD2 TYR 53 2HD TYR 53 6.754 -8.048 -5.171 407 HE1 TYR 53 1HE TYR 53 7.235 -12.998 -4.896 408 HE2 TYR 53 2HE TYR 53 6.045 -9.479 -7.083 409 HH TYR 53 HH TYR 53 5.702 -11.590 -7.780 410 H GLN 54 H GLN 54 7.670 -8.717 1.043 411 HA GLN 54 HA GLN 54 9.758 -10.765 1.178 412 1HB GLN 54 1HB GLN 54 10.515 -9.732 3.066 413 2HB GLN 54 2HB GLN 54 9.878 -8.393 2.132 414 1HG GLN 54 1HG GLN 54 8.054 -9.628 4.111 415 2HG GLN 54 2HG GLN 54 9.394 -8.688 4.737 416 1HE2 GLN 54 2HE2 GLN 54 6.404 -8.605 2.896 417 2HE2 GLN 54 1HE2 GLN 54 6.269 -6.861 2.889 418 H GLU 55 H GLU 55 6.492 -10.165 2.154 419 HA GLU 55 HA GLU 55 6.519 -12.379 4.064 420 1HB GLU 55 1HB GLU 55 4.429 -10.377 3.334 421 2HB GLU 55 2HB GLU 55 4.221 -11.634 4.536 422 1HG GLU 55 1HG GLU 55 6.560 -10.358 5.275 423 2HG GLU 55 2HG GLU 55 5.491 -9.065 4.775 424 H ASP 56 H ASP 56 6.663 -12.513 1.033 425 HA ASP 56 HA ASP 56 6.158 -14.085 -0.542 426 1HB ASP 56 1HB ASP 56 5.567 -15.452 1.608 427 2HB ASP 56 2HB ASP 56 3.914 -15.142 1.119 428 H GLN 57 H GLN 57 3.773 -14.941 -1.553 429 HA GLN 57 HA GLN 57 2.423 -12.486 -2.377 430 1HB GLN 57 1HB GLN 57 2.621 -15.294 -3.259 431 2HB GLN 57 2HB GLN 57 1.144 -14.447 -3.671 432 1HG GLN 57 1HG GLN 57 3.098 -14.339 -5.342 433 2HG GLN 57 2HG GLN 57 2.279 -12.843 -4.945 434 1HE2 GLN 57 2HE2 GLN 57 3.549 -11.135 -4.202 435 2HE2 GLN 57 1HE2 GLN 57 5.189 -11.316 -3.620 436 H VAL 58 H VAL 58 1.909 -15.044 -0.186 437 HA VAL 58 HA VAL 58 -0.948 -14.788 0.006 438 HB VAL 58 HB VAL 58 0.497 -15.979 2.240 439 1HG1 VAL 58 1HG1 VAL 58 -1.919 -16.107 2.075 440 2HG1 VAL 58 2HG1 VAL 58 -1.781 -16.880 0.457 441 3HG1 VAL 58 3HG1 VAL 58 -1.206 -17.751 1.921 442 1HG2 VAL 58 1HG2 VAL 58 0.707 -17.237 -0.518 443 2HG2 VAL 58 2HG2 VAL 58 2.070 -16.609 0.474 444 3HG2 VAL 58 3HG2 VAL 58 1.136 -18.041 1.033 445 H CYS 59 H CYS 59 1.608 -12.917 1.060 446 HA CYS 59 HA CYS 59 -0.115 -11.456 2.971 447 1HB CYS 59 1HB CYS 59 2.797 -11.922 2.814 448 2HB CYS 59 2HB CYS 59 2.129 -10.580 3.719 449 H VAL 60 H VAL 60 0.245 -11.361 -0.052 450 HA VAL 60 HA VAL 60 0.885 -8.495 -0.325 451 HB VAL 60 HB VAL 60 0.523 -10.799 -2.152 452 1HG1 VAL 60 1HG1 VAL 60 -0.998 -9.137 -3.104 453 2HG1 VAL 60 2HG1 VAL 60 0.309 -7.904 -3.037 454 3HG1 VAL 60 3HG1 VAL 60 0.465 -9.321 -4.133 455 1HG2 VAL 60 1HG2 VAL 60 2.605 -8.624 -1.824 456 2HG2 VAL 60 2HG2 VAL 60 2.713 -10.318 -1.230 457 3HG2 VAL 60 3HG2 VAL 60 2.705 -9.984 -2.997 458 H CYS 61 H CYS 61 -1.854 -10.681 -0.215 459 HA CYS 61 HA CYS 61 -3.489 -8.403 0.295 460 1HB CYS 61 1HB CYS 61 -3.200 -9.096 -2.445 461 2HB CYS 61 2HB CYS 61 -4.840 -9.461 -1.952 462 HA PRO 62 HA PRO 62 -5.867 -8.227 -0.039 463 1HB PRO 62 1HB PRO 62 -7.877 -8.081 1.760 464 2HB PRO 62 2HB PRO 62 -8.079 -8.703 0.135 465 1HG PRO 62 1HG PRO 62 -7.948 -10.168 2.679 466 2HG PRO 62 2HG PRO 62 -8.611 -10.685 1.141 467 1HD PRO 62 1HD PRO 62 -6.065 -11.379 2.258 468 2HD PRO 62 2HD PRO 62 -6.710 -11.859 0.701 469 H THR 63 H THR 63 -4.331 -9.637 2.579 470 HA THR 63 HA THR 63 -3.990 -7.948 4.595 471 HB THR 63 HB THR 63 -1.458 -8.191 4.160 472 HG1 THR 63 1HG THR 63 -1.066 -9.802 2.582 473 1HG2 THR 63 1HG2 THR 63 -2.805 -9.655 5.632 474 2HG2 THR 63 2HG2 THR 63 -3.278 -10.617 4.189 475 3HG2 THR 63 3HG2 THR 63 -1.561 -10.580 4.719 476 H LEU 64 H LEU 64 -2.464 -7.041 1.412 477 HA LEU 64 HA LEU 64 -1.476 -4.553 2.097 478 1HB LEU 64 1HB LEU 64 -2.179 -5.918 -0.266 479 2HB LEU 64 2HB LEU 64 -2.822 -4.292 -0.384 480 HG LEU 64 HG LEU 64 -0.129 -4.276 0.655 481 1HD1 LEU 64 1HD1 LEU 64 0.144 -6.312 -0.647 482 2HD1 LEU 64 2HD1 LEU 64 -0.532 -5.470 -2.085 483 3HD1 LEU 64 3HD1 LEU 64 1.037 -4.938 -1.385 484 1HD2 LEU 64 1HD2 LEU 64 -1.353 -3.111 -1.869 485 2HD2 LEU 64 2HD2 LEU 64 -1.262 -2.297 -0.270 486 3HD2 LEU 64 3HD2 LEU 64 0.246 -2.666 -1.177 487 H LYS 65 H LYS 65 -4.849 -5.196 1.114 488 HA LYS 65 HA LYS 65 -6.120 -2.827 1.309 489 1HB LYS 65 1HB LYS 65 -7.291 -4.991 1.020 490 2HB LYS 65 2HB LYS 65 -7.127 -5.273 2.741 491 1HG LYS 65 1HG LYS 65 -8.332 -2.697 1.938 492 2HG LYS 65 2HG LYS 65 -9.295 -4.132 1.653 493 1HD LYS 65 1HD LYS 65 -8.011 -3.901 4.321 494 2HD LYS 65 2HD LYS 65 -9.341 -2.809 3.991 495 1HE LYS 65 1HE LYS 65 -9.859 -5.583 3.212 496 2HE LYS 65 2HE LYS 65 -9.621 -5.356 4.933 497 1HZ LYS 65 1HZ LYS 65 -11.290 -3.660 4.891 498 2HZ LYS 65 2HZ LYS 65 -11.516 -3.874 3.265 499 3HZ LYS 65 3HZ LYS 65 -11.904 -5.088 4.321 500 H GLN 66 H GLN 66 -5.155 -4.687 4.232 501 HA GLN 66 HA GLN 66 -5.802 -2.736 6.156 502 1HB GLN 66 1HB GLN 66 -5.151 -4.968 6.800 503 2HB GLN 66 2HB GLN 66 -3.539 -4.707 6.166 504 1HG GLN 66 1HG GLN 66 -3.539 -4.458 8.595 505 2HG GLN 66 2HG GLN 66 -3.181 -2.922 7.830 506 1HE2 GLN 66 2HE2 GLN 66 -3.846 -1.818 9.748 507 2HE2 GLN 66 1HE2 GLN 66 -5.547 -1.602 10.095 508 H ALA 67 H ALA 67 -2.411 -3.302 4.968 509 HA ALA 67 HA ALA 67 -1.237 -1.038 6.018 510 1HB ALA 67 1HB ALA 67 0.039 -2.803 4.912 511 2HB ALA 67 2HB ALA 67 -0.664 -2.323 3.328 512 3HB ALA 67 3HB ALA 67 0.436 -1.201 4.201 513 H ALA 68 H ALA 68 -3.170 -1.227 3.068 514 HA ALA 68 HA ALA 68 -3.045 1.537 2.364 515 1HB ALA 68 1HB ALA 68 -3.571 -0.204 0.737 516 2HB ALA 68 2HB ALA 68 -5.043 -0.639 1.673 517 3HB ALA 68 3HB ALA 68 -4.931 0.964 0.866 518 H LYS 69 H LYS 69 -5.627 -0.334 4.062 519 HA LYS 69 HA LYS 69 -7.320 1.839 4.649 520 1HB LYS 69 1HB LYS 69 -7.503 -0.792 5.063 521 2HB LYS 69 2HB LYS 69 -7.044 -0.293 6.679 522 1HG LYS 69 1HG LYS 69 -9.348 -0.132 6.788 523 2HG LYS 69 2HG LYS 69 -8.904 1.506 6.350 524 1HD LYS 69 1HD LYS 69 -9.866 1.344 4.292 525 2HD LYS 69 2HD LYS 69 -9.304 -0.297 4.053 526 1HE LYS 69 1HE LYS 69 -11.330 -1.081 4.558 527 2HE LYS 69 2HE LYS 69 -11.242 -0.319 6.132 528 1HZ LYS 69 1HZ LYS 69 -12.123 1.668 5.167 529 2HZ LYS 69 2HZ LYS 69 -12.207 0.949 3.679 530 3HZ LYS 69 3HZ LYS 69 -13.152 0.395 4.920 531 H SER 70 H SER 70 -4.310 0.910 6.164 532 HA SER 70 HA SER 70 -4.580 2.809 8.387 533 1HB SER 70 1HB SER 70 -3.072 0.484 7.909 534 2HB SER 70 2HB SER 70 -1.924 1.803 8.000 535 HG SER 70 HG SER 70 -2.379 0.897 10.054 536 H VAL 71 H VAL 71 -3.367 2.756 5.145 537 HA VAL 71 HA VAL 71 -1.512 4.908 5.377 538 HB VAL 71 HB VAL 71 -2.193 3.172 3.467 539 1HG1 VAL 71 1HG1 VAL 71 -4.242 4.282 2.766 540 2HG1 VAL 71 2HG1 VAL 71 -3.304 5.787 2.464 541 3HG1 VAL 71 3HG1 VAL 71 -2.985 4.315 1.481 542 1HG2 VAL 71 1HG2 VAL 71 -0.897 5.849 2.965 543 2HG2 VAL 71 2HG2 VAL 71 -0.081 4.359 3.550 544 3HG2 VAL 71 3HG2 VAL 71 -0.786 4.407 1.897 545 H ARG 72 H ARG 72 -4.908 4.892 5.625 546 HA ARG 72 HA ARG 72 -5.156 7.787 5.035 547 1HB ARG 72 1HB ARG 72 -7.699 6.994 5.158 548 2HB ARG 72 2HB ARG 72 -6.764 6.954 3.677 549 1HG ARG 72 1HG ARG 72 -6.383 4.638 3.863 550 2HG ARG 72 2HG ARG 72 -6.945 4.605 5.523 551 1HD ARG 72 1HD ARG 72 -9.027 5.641 3.906 552 2HD ARG 72 2HD ARG 72 -8.432 4.170 3.161 553 HE ARG 72 HE ARG 72 -8.671 3.381 5.727 554 1HH1 ARG 72 1HH2 ARG 72 -10.960 5.132 3.722 555 2HH1 ARG 72 2HH2 ARG 72 -12.335 4.430 4.540 556 1HH2 ARG 72 1HH1 ARG 72 -10.528 2.510 6.690 557 2HH2 ARG 72 2HH1 ARG 72 -12.104 3.023 6.133 558 H VAL 73 H VAL 73 -3.957 7.883 7.136 559 HA VAL 73 HA VAL 73 -5.237 7.130 9.542 560 HB VAL 73 HB VAL 73 -2.850 8.020 9.052 561 1HG1 VAL 73 1HG1 VAL 73 -3.436 10.274 8.338 562 2HG1 VAL 73 2HG1 VAL 73 -4.218 10.576 9.927 563 3HG1 VAL 73 3HG1 VAL 73 -2.442 10.317 9.835 564 1HG2 VAL 73 1HG2 VAL 73 -4.309 8.558 11.650 565 2HG2 VAL 73 2HG2 VAL 73 -3.534 7.014 11.150 566 3HG2 VAL 73 3HG2 VAL 73 -2.523 8.468 11.458 567 H GLN 74 H GLN 74 -6.917 7.936 10.698 568 HA GLN 74 HA GLN 74 -8.439 10.112 9.485 569 1HB GLN 74 1HB GLN 74 -9.107 7.794 10.847 570 2HB GLN 74 2HB GLN 74 -9.490 9.076 11.979 571 1HG GLN 74 1HG GLN 74 -10.834 10.201 10.323 572 2HG GLN 74 2HG GLN 74 -10.360 9.038 9.101 573 1HE2 GLN 74 2HE2 GLN 74 -12.941 9.264 9.187 574 2HE2 GLN 74 1HE2 GLN 74 -13.698 7.957 10.070 575 H GLY 75 H GLY 75 -6.916 11.844 9.796 576 1HA GLY 75 1HA GLY 75 -6.302 12.569 12.595 577 2HA GLY 75 2HA GLY 75 -5.689 13.360 11.158 578 H GLN 76 H GLN 76 -6.794 15.018 10.218 579 HA GLN 76 HA GLN 76 -9.168 15.990 11.699 580 1HB GLN 76 1HB GLN 76 -6.825 17.274 11.322 581 2HB GLN 76 2HB GLN 76 -7.754 17.884 9.967 582 1HG GLN 76 1HG GLN 76 -9.556 17.963 12.064 583 2HG GLN 76 2HG GLN 76 -8.045 18.436 12.815 584 1HE2 GLN 76 2HE2 GLN 76 -10.706 19.795 11.780 585 2HE2 GLN 76 1HE2 GLN 76 -10.094 21.242 11.011 586 H HIS 77 H HIS 77 -9.074 14.040 9.398 587 HA HIS 77 HA HIS 77 -11.312 15.030 7.931 588 1HB HIS 77 1HB HIS 77 -10.216 15.040 5.687 589 2HB HIS 77 2HB HIS 77 -9.786 16.390 6.719 590 HD1 HIS 77 1HD HIS 77 -7.223 16.232 7.832 591 HD2 HIS 77 2HD HIS 77 -8.325 13.512 4.799 592 HE1 HIS 77 1HE HIS 77 -5.030 15.143 6.993 593 HE2 HIS 77 2HE HIS 77 -5.736 13.513 5.138 594 H GLY 78 H GLY 78 -12.434 13.223 8.100 595 1HA GLY 78 1HA GLY 78 -11.254 10.606 8.081 596 2HA GLY 78 2HA GLY 78 -12.963 10.979 7.986 597 HA PRO 79 HA PRO 79 -12.816 9.733 3.783 598 1HB PRO 79 1HB PRO 79 -14.901 11.200 2.730 599 2HB PRO 79 2HB PRO 79 -15.091 9.704 3.619 600 1HG PRO 79 1HG PRO 79 -15.700 12.442 4.469 601 2HG PRO 79 2HG PRO 79 -16.242 10.927 5.163 602 1HD PRO 79 1HD PRO 79 -14.196 12.635 6.151 603 2HD PRO 79 2HD PRO 79 -14.664 11.068 6.782 604 H PHE 80 H PHE 80 -11.116 10.399 2.609 605 HA PHE 80 HA PHE 80 -11.157 12.658 0.899 606 1HB PHE 80 1HB PHE 80 -10.588 13.431 3.485 607 2HB PHE 80 2HB PHE 80 -8.994 13.194 2.797 608 HD1 PHE 80 1HD PHE 80 -7.969 14.853 1.567 609 HD2 PHE 80 2HD PHE 80 -12.255 14.933 2.132 610 HE1 PHE 80 1HE PHE 80 -8.079 17.108 0.516 611 HE2 PHE 80 2HE PHE 80 -12.359 17.182 1.072 612 HZ PHE 80 HZ PHE 80 -10.267 18.258 0.271 613 H GLN 81 H GLN 81 -9.036 10.710 2.958 614 HA GLN 81 HA GLN 81 -6.950 10.592 0.970 615 1HB GLN 81 1HB GLN 81 -7.259 9.689 3.722 616 2HB GLN 81 2HB GLN 81 -6.305 8.624 2.711 617 1HG GLN 81 1HG GLN 81 -5.113 10.545 3.962 618 2HG GLN 81 2HG GLN 81 -4.703 10.251 2.285 619 1HE2 GLN 81 2HE2 GLN 81 -5.003 11.955 0.785 620 2HE2 GLN 81 1HE2 GLN 81 -5.804 13.452 1.205 621 H SER 82 H SER 82 -9.048 8.070 2.438 622 HA SER 82 HA SER 82 -8.570 5.900 0.885 623 1HB SER 82 1HB SER 82 -10.683 6.697 2.460 624 2HB SER 82 2HB SER 82 -11.419 6.351 0.908 625 HG SER 82 HG SER 82 -11.311 4.505 2.254 626 H THR 83 H THR 83 -10.527 8.651 -0.242 627 HA THR 83 HA THR 83 -11.037 7.800 -2.847 628 HB THR 83 HB THR 83 -10.773 10.385 -1.482 629 HG1 THR 83 1HG THR 83 -12.921 10.415 -2.303 630 1HG2 THR 83 1HG2 THR 83 -9.685 10.958 -3.638 631 2HG2 THR 83 2HG2 THR 83 -11.097 10.253 -4.501 632 3HG2 THR 83 3HG2 THR 83 -11.310 11.711 -3.471 633 H ARG 84 H ARG 84 -8.288 10.033 -2.104 634 HA ARG 84 HA ARG 84 -6.938 9.249 -4.555 635 1HB ARG 84 1HB ARG 84 -6.936 11.510 -2.886 636 2HB ARG 84 2HB ARG 84 -5.309 10.864 -2.834 637 1HG ARG 84 1HG ARG 84 -5.191 12.214 -4.720 638 2HG ARG 84 2HG ARG 84 -5.618 10.671 -5.435 639 1HD ARG 84 1HD ARG 84 -8.060 11.451 -5.131 640 2HD ARG 84 2HD ARG 84 -7.373 13.049 -4.927 641 HE ARG 84 HE ARG 84 -6.306 11.887 -7.280 642 1HH1 ARG 84 1HH2 ARG 84 -9.329 13.248 -6.123 643 2HH1 ARG 84 2HH2 ARG 84 -9.845 13.694 -7.733 644 1HH2 ARG 84 1HH1 ARG 84 -7.050 12.477 -9.317 645 2HH2 ARG 84 2HH1 ARG 84 -8.599 13.272 -9.480 646 H ILE 85 H ILE 85 -7.282 7.298 -2.244 647 HA ILE 85 HA ILE 85 -4.415 6.671 -1.818 648 HB ILE 85 HB ILE 85 -6.765 6.488 -0.040 649 1HG1 ILE 85 1HG1 ILE 85 -5.333 8.315 0.372 650 2HG1 ILE 85 2HG1 ILE 85 -5.071 7.162 1.665 651 1HG2 ILE 85 1HG2 ILE 85 -6.137 4.158 -0.189 652 2HG2 ILE 85 2HG2 ILE 85 -4.428 4.586 0.167 653 3HG2 ILE 85 3HG2 ILE 85 -5.694 4.826 1.420 654 1HD1 ILE 85 1HD1 ILE 85 -3.032 6.369 0.577 655 2HD1 ILE 85 2HD1 ILE 85 -3.301 7.551 -0.752 656 3HD1 ILE 85 3HD1 ILE 85 -2.966 8.133 0.918 657 H TYR 86 H TYR 86 -7.660 5.298 -2.148 658 HA TYR 86 HA TYR 86 -6.692 2.734 -3.014 659 1HB TYR 86 1HB TYR 86 -9.250 4.183 -2.776 660 2HB TYR 86 2HB TYR 86 -9.203 2.780 -3.824 661 HD1 TYR 86 1HD TYR 86 -9.278 0.602 -2.991 662 HD2 TYR 86 2HD TYR 86 -8.643 3.926 -0.320 663 HE1 TYR 86 1HE TYR 86 -9.676 -0.908 -1.068 664 HE2 TYR 86 2HE TYR 86 -8.982 2.405 1.630 665 HH TYR 86 HH TYR 86 -9.506 0.337 2.271 666 H GLN 87 H GLN 87 -7.804 5.713 -4.697 667 HA GLN 87 HA GLN 87 -7.762 4.578 -7.316 668 1HB GLN 87 1HB GLN 87 -7.983 7.192 -6.125 669 2HB GLN 87 2HB GLN 87 -7.019 7.236 -7.586 670 1HG GLN 87 1HG GLN 87 -8.802 6.940 -8.897 671 2HG GLN 87 2HG GLN 87 -9.424 5.643 -7.895 672 1HE2 GLN 87 2HE2 GLN 87 -11.560 6.193 -7.789 673 2HE2 GLN 87 1HE2 GLN 87 -12.145 7.696 -7.112 674 H ILE 88 H ILE 88 -5.127 5.425 -5.255 675 HA ILE 88 HA ILE 88 -3.269 5.280 -7.563 676 HB ILE 88 HB ILE 88 -3.030 6.389 -4.797 677 1HG1 ILE 88 1HG1 ILE 88 -2.295 7.835 -7.295 678 2HG1 ILE 88 2HG1 ILE 88 -3.997 7.625 -6.937 679 1HG2 ILE 88 1HG2 ILE 88 -0.970 5.161 -5.314 680 2HG2 ILE 88 2HG2 ILE 88 -0.860 6.035 -6.882 681 3HG2 ILE 88 3HG2 ILE 88 -0.692 6.936 -5.336 682 1HD1 ILE 88 1HD1 ILE 88 -3.684 8.668 -4.721 683 2HD1 ILE 88 2HD1 ILE 88 -1.936 8.883 -5.089 684 3HD1 ILE 88 3HD1 ILE 88 -3.173 9.772 -6.046 685 H ALA 89 H ALA 89 -4.124 3.831 -4.465 686 HA ALA 89 HA ALA 89 -2.150 1.762 -4.596 687 1HB ALA 89 1HB ALA 89 -3.051 2.497 -2.463 688 2HB ALA 89 2HB ALA 89 -4.700 1.996 -2.977 689 3HB ALA 89 3HB ALA 89 -3.421 0.757 -2.727 690 H LYS 90 H LYS 90 -4.691 2.235 -6.589 691 HA LYS 90 HA LYS 90 -5.556 -0.525 -6.856 692 1HB LYS 90 1HB LYS 90 -6.782 0.320 -8.709 693 2HB LYS 90 2HB LYS 90 -6.991 1.322 -7.288 694 1HG LYS 90 1HG LYS 90 -6.750 3.020 -8.685 695 2HG LYS 90 2HG LYS 90 -5.038 2.649 -8.626 696 1HD LYS 90 1HD LYS 90 -5.051 1.614 -10.684 697 2HD LYS 90 2HD LYS 90 -6.749 1.198 -10.580 698 1HE LYS 90 1HE LYS 90 -6.207 2.974 -12.261 699 2HE LYS 90 2HE LYS 90 -7.412 3.432 -11.073 700 1HZ LYS 90 1HZ LYS 90 -5.718 4.608 -9.880 701 2HZ LYS 90 2HZ LYS 90 -4.579 4.176 -11.002 702 3HZ LYS 90 3HZ LYS 90 -5.831 5.171 -11.432 703 H ASN 91 H ASN 91 -3.433 1.697 -8.589 704 HA ASN 91 HA ASN 91 -2.550 -0.399 -10.408 705 1HB ASN 91 1HB ASN 91 -2.036 2.507 -10.101 706 2HB ASN 91 2HB ASN 91 -0.897 1.531 -11.006 707 1HD2 ASN 91 2HD2 ASN 91 -3.203 3.598 -11.463 708 2HD2 ASN 91 1HD2 ASN 91 -4.009 2.946 -12.872 709 H LEU 92 H LEU 92 -2.121 -0.484 -7.329 710 HA LEU 92 HA LEU 92 0.774 -0.404 -7.089 711 1HB LEU 92 1HB LEU 92 -1.523 -0.951 -5.389 712 2HB LEU 92 2HB LEU 92 -0.135 -1.960 -5.035 713 HG LEU 92 HG LEU 92 0.137 0.998 -5.290 714 1HD1 LEU 92 1HD1 LEU 92 -1.634 0.558 -3.619 715 2HD1 LEU 92 2HD1 LEU 92 -0.539 -0.606 -2.794 716 3HD1 LEU 92 3HD1 LEU 92 -0.125 1.144 -2.836 717 1HD2 LEU 92 1HD2 LEU 92 1.667 -1.176 -3.812 718 2HD2 LEU 92 2HD2 LEU 92 2.167 -0.410 -5.359 719 3HD2 LEU 92 3HD2 LEU 92 2.104 0.568 -3.852 720 HA PRO 93 HA PRO 93 0.573 -5.107 -7.433 721 1HB PRO 93 1HB PRO 93 -1.802 -6.374 -7.944 722 2HB PRO 93 2HB PRO 93 -1.128 -6.152 -6.342 723 1HG PRO 93 1HG PRO 93 -3.423 -4.802 -7.581 724 2HG PRO 93 2HG PRO 93 -3.000 -4.925 -5.887 725 1HD PRO 93 1HD PRO 93 -2.570 -2.720 -7.632 726 2HD PRO 93 2HD PRO 93 -2.112 -2.858 -5.946 727 H ASN 94 H ASN 94 -0.975 -2.959 -9.555 728 HA ASN 94 HA ASN 94 -0.825 -4.671 -11.927 729 1HB ASN 94 1HB ASN 94 -1.598 -1.862 -11.295 730 2HB ASN 94 2HB ASN 94 -1.195 -2.270 -12.951 731 1HD2 ASN 94 2HD2 ASN 94 -3.703 -2.079 -10.763 732 2HD2 ASN 94 1HD2 ASN 94 -4.822 -3.175 -11.543 733 H VAL 95 H VAL 95 1.029 -2.084 -10.404 734 HA VAL 95 HA VAL 95 3.025 -2.161 -12.585 735 HB VAL 95 HB VAL 95 2.896 -0.153 -10.363 736 1HG1 VAL 95 1HG1 VAL 95 5.023 -0.274 -11.617 737 2HG1 VAL 95 2HG1 VAL 95 4.111 -0.087 -13.155 738 3HG1 VAL 95 3HG1 VAL 95 4.151 1.261 -11.965 739 1HG2 VAL 95 1HG2 VAL 95 1.616 0.062 -13.122 740 2HG2 VAL 95 2HG2 VAL 95 0.725 -0.071 -11.565 741 3HG2 VAL 95 3HG2 VAL 95 1.725 1.384 -11.908 742 H CYS 96 H CYS 96 2.457 -3.257 -9.466 743 HA CYS 96 HA CYS 96 5.275 -4.080 -9.149 744 1HB CYS 96 1HB CYS 96 3.690 -2.470 -7.370 745 2HB CYS 96 2HB CYS 96 4.087 -3.988 -6.591 746 H ASN 97 H ASN 97 3.268 -5.527 -10.609 747 HA ASN 97 HA ASN 97 1.680 -7.407 -9.648 748 1HB ASN 97 1HB ASN 97 3.932 -7.690 -11.555 749 2HB ASN 97 2HB ASN 97 3.085 -9.136 -11.046 750 1HD2 ASN 97 2HD2 ASN 97 2.634 -5.927 -12.459 751 2HD2 ASN 97 1HD2 ASN 97 1.203 -6.343 -13.373 752 H MET 98 H MET 98 1.703 -8.075 -7.639 753 HA MET 98 HA MET 98 4.001 -9.685 -6.716 754 1HB MET 98 1HB MET 98 3.835 -8.648 -4.506 755 2HB MET 98 2HB MET 98 4.217 -7.468 -5.743 756 1HG MET 98 1HG MET 98 1.411 -7.602 -5.579 757 2HG MET 98 2HG MET 98 2.007 -7.534 -3.934 758 1HE MET 98 1HE MET 98 0.041 -5.365 -4.698 759 2HE MET 98 2HE MET 98 0.986 -5.336 -3.169 760 3HE MET 98 3HE MET 98 0.894 -3.863 -4.197 761 H LYS 99 H LYS 99 1.148 -10.059 -7.831 762 HA LYS 99 HA LYS 99 0.588 -12.319 -6.144 763 1HB LYS 99 1HB LYS 99 -0.583 -11.053 -4.681 764 2HB LYS 99 2HB LYS 99 -0.987 -9.842 -5.881 765 1HG LYS 99 1HG LYS 99 -2.257 -12.452 -6.281 766 2HG LYS 99 2HG LYS 99 -2.752 -11.595 -4.835 767 1HD LYS 99 1HD LYS 99 -2.619 -9.761 -7.050 768 2HD LYS 99 2HD LYS 99 -3.626 -11.130 -7.476 769 1HE LYS 99 1HE LYS 99 -5.254 -10.515 -6.054 770 2HE LYS 99 2HE LYS 99 -4.113 -10.132 -4.781 771 1HZ LYS 99 1HZ LYS 99 -3.670 -8.055 -5.870 772 2HZ LYS 99 2HZ LYS 99 -4.749 -8.419 -7.074 773 3HZ LYS 99 3HZ LYS 99 -5.284 -8.191 -5.523 774 H GLN 100 H GLN 100 1.118 -13.411 -7.986 775 HA GLN 100 HA GLN 100 -0.328 -12.823 -10.419 776 1HB GLN 100 1HB GLN 100 1.891 -14.172 -9.951 777 2HB GLN 100 2HB GLN 100 0.774 -15.521 -9.950 778 1HG GLN 100 1HG GLN 100 0.837 -13.447 -12.123 779 2HG GLN 100 2HG GLN 100 1.781 -14.921 -12.193 780 1HE2 GLN 100 2HE2 GLN 100 -0.510 -13.811 -13.860 781 2HE2 GLN 100 1HE2 GLN 100 -1.651 -15.136 -13.924 782 H ILE 101 H ILE 101 -0.816 -15.072 -7.749 783 HA ILE 101 HA ILE 101 -2.942 -16.584 -8.722 784 HB ILE 101 HB ILE 101 -1.969 -17.359 -6.791 785 1HG1 ILE 101 1HG1 ILE 101 -4.377 -16.196 -5.484 786 2HG1 ILE 101 2HG1 ILE 101 -4.561 -17.293 -6.837 787 1HG2 ILE 101 1HG2 ILE 101 -0.824 -15.346 -5.990 788 2HG2 ILE 101 2HG2 ILE 101 -2.390 -14.679 -5.413 789 3HG2 ILE 101 3HG2 ILE 101 -1.700 -16.150 -4.643 790 1HD1 ILE 101 1HD1 ILE 101 -3.269 -19.017 -5.645 791 2HD1 ILE 101 2HD1 ILE 101 -3.081 -17.890 -4.256 792 3HD1 ILE 101 3HD1 ILE 101 -4.712 -18.500 -4.703 793 H GLY 102 H GLY 102 -3.582 -14.088 -6.240 794 1HA GLY 102 1HA GLY 102 -5.238 -12.293 -7.065 795 2HA GLY 102 2HA GLY 102 -6.183 -13.660 -7.620 796 H THR 103 H THR 103 -4.902 -11.990 -4.840 797 HA THR 103 HA THR 103 -6.556 -13.599 -2.991 798 HB THR 103 HB THR 103 -4.749 -11.646 -1.849 799 HG1 THR 103 1HG THR 103 -2.852 -12.812 -2.353 800 1HG2 THR 103 1HG2 THR 103 -5.795 -13.392 -0.511 801 2HG2 THR 103 2HG2 THR 103 -5.004 -14.647 -1.527 802 3HG2 THR 103 3HG2 THR 103 -4.006 -13.566 -0.494 803 H CYS 104 H CYS 104 -5.805 -10.219 -3.869 804 HA CYS 104 HA CYS 104 -8.609 -9.564 -3.172 805 1HB CYS 104 1HB CYS 104 -7.949 -7.463 -2.391 806 2HB CYS 104 2HB CYS 104 -6.840 -8.617 -1.679 807 HA PRO 105 HA PRO 105 -7.781 -8.713 -7.665 808 1HB PRO 105 1HB PRO 105 -9.663 -10.387 -8.771 809 2HB PRO 105 2HB PRO 105 -7.977 -10.800 -8.531 810 1HG PRO 105 1HG PRO 105 -10.340 -11.714 -7.037 811 2HG PRO 105 2HG PRO 105 -8.750 -12.443 -7.143 812 1HD PRO 105 1HD PRO 105 -9.786 -10.895 -5.007 813 2HD PRO 105 2HD PRO 105 -8.156 -11.516 -5.171 814 H PHE 106 H PHE 106 -9.007 -7.062 -5.956 815 HA PHE 106 HA PHE 106 -11.719 -6.491 -6.852 816 1HB PHE 106 1HB PHE 106 -11.907 -5.318 -4.938 817 2HB PHE 106 2HB PHE 106 -10.565 -6.344 -4.474 818 HD1 PHE 106 1HD PHE 106 -8.133 -5.322 -5.061 819 HD2 PHE 106 2HD PHE 106 -11.772 -3.045 -4.582 820 HE1 PHE 106 1HE PHE 106 -6.779 -3.272 -4.663 821 HE2 PHE 106 2HE PHE 106 -10.408 -1.036 -4.102 822 HZ PHE 106 HZ PHE 106 -7.939 -1.121 -4.175 823 H ILE 107 H ILE 107 -12.196 -4.116 -7.275 824 HA ILE 107 HA ILE 107 -10.734 -3.166 -9.500 825 HB ILE 107 HB ILE 107 -13.156 -2.908 -8.980 826 1HG1 ILE 107 1HG1 ILE 107 -12.761 -0.319 -9.921 827 2HG1 ILE 107 2HG1 ILE 107 -11.330 -1.209 -10.400 828 1HG2 ILE 107 1HG2 ILE 107 -13.095 -1.985 -6.734 829 2HG2 ILE 107 2HG2 ILE 107 -12.236 -0.529 -7.347 830 3HG2 ILE 107 3HG2 ILE 107 -13.928 -0.856 -7.859 831 1HD1 ILE 107 1HD1 ILE 107 -12.734 -2.935 -11.462 832 2HD1 ILE 107 2HD1 ILE 107 -14.200 -2.021 -10.971 833 3HD1 ILE 107 3HD1 ILE 107 -13.050 -1.307 -12.154 834 H ALA 108 H ALA 108 -10.816 -0.325 -8.900 835 HA ALA 108 HA ALA 108 -8.374 -0.001 -7.447 836 1HB ALA 108 1HB ALA 108 -8.850 1.315 -9.395 837 2HB ALA 108 2HB ALA 108 -10.357 1.942 -8.641 838 3HB ALA 108 3HB ALA 108 -8.754 2.397 -7.963 839 H ILE 109 H ILE 109 -11.730 0.413 -6.589 840 HA ILE 109 HA ILE 109 -11.060 1.376 -3.884 841 HB ILE 109 HB ILE 109 -13.162 2.389 -5.750 842 1HG1 ILE 109 1HG1 ILE 109 -12.297 4.587 -4.984 843 2HG1 ILE 109 2HG1 ILE 109 -11.082 3.745 -4.041 844 1HG2 ILE 109 1HG2 ILE 109 -14.296 1.844 -3.629 845 2HG2 ILE 109 2HG2 ILE 109 -13.038 2.761 -2.731 846 3HG2 ILE 109 3HG2 ILE 109 -14.156 3.624 -3.843 847 1HD1 ILE 109 1HD1 ILE 109 -10.092 2.815 -6.107 848 2HD1 ILE 109 2HD1 ILE 109 -11.338 3.677 -7.073 849 3HD1 ILE 109 3HD1 ILE 109 -10.120 4.612 -6.137 Start of MODEL 17 1 1H GLN 1 1H GLN 1 -1.564 -21.249 1.616 2 2H GLN 1 2H GLN 1 -2.773 -21.542 0.524 3 3H GLN 1 3H GLN 1 -1.283 -21.048 -0.003 4 HA GLN 1 HA GLN 1 -1.550 -18.964 1.101 5 1HB GLN 1 1HB GLN 1 -3.483 -19.833 -0.986 6 2HB GLN 1 2HB GLN 1 -3.565 -18.205 -0.346 7 1HG GLN 1 1HG GLN 1 -1.643 -17.571 -1.361 8 2HG GLN 1 2HG GLN 1 -0.867 -19.114 -1.069 9 1HE2 GLN 1 2HE2 GLN 1 -0.012 -19.189 -3.152 10 2HE2 GLN 1 1HE2 GLN 1 -1.013 -19.577 -4.532 11 HA PRO 2 HA PRO 2 -4.809 -20.001 4.136 12 1HB PRO 2 1HB PRO 2 -3.314 -19.576 6.394 13 2HB PRO 2 2HB PRO 2 -3.576 -21.136 5.641 14 1HG PRO 2 1HG PRO 2 -1.144 -19.481 5.663 15 2HG PRO 2 2HG PRO 2 -1.309 -21.188 5.309 16 1HD PRO 2 1HD PRO 2 -1.012 -19.061 3.440 17 2HD PRO 2 2HD PRO 2 -1.270 -20.757 3.085 18 H GLN 3 H GLN 3 -5.292 -18.577 6.285 19 HA GLN 3 HA GLN 3 -5.318 -15.809 5.263 20 1HB GLN 3 1HB GLN 3 -7.294 -17.283 6.370 21 2HB GLN 3 2HB GLN 3 -6.673 -16.460 7.786 22 1HG GLN 3 1HG GLN 3 -7.798 -14.625 7.185 23 2HG GLN 3 2HG GLN 3 -6.824 -14.529 5.732 24 1HE2 GLN 3 2HE2 GLN 3 -8.819 -13.495 4.904 25 2HE2 GLN 3 1HE2 GLN 3 -10.053 -14.534 4.228 26 H LYS 4 H LYS 4 -3.918 -17.787 7.780 27 HA LYS 4 HA LYS 4 -3.300 -16.084 9.796 28 1HB LYS 4 1HB LYS 4 -1.365 -17.960 8.481 29 2HB LYS 4 2HB LYS 4 -1.206 -17.288 10.091 30 1HG LYS 4 1HG LYS 4 -2.336 -19.094 10.808 31 2HG LYS 4 2HG LYS 4 -3.755 -18.358 10.093 32 1HD LYS 4 1HD LYS 4 -3.859 -19.914 8.486 33 2HD LYS 4 2HD LYS 4 -2.157 -19.734 8.111 34 1HE LYS 4 1HE LYS 4 -1.650 -21.619 9.193 35 2HE LYS 4 2HE LYS 4 -2.505 -21.090 10.627 36 1HZ LYS 4 1HZ LYS 4 -4.537 -21.842 9.635 37 2HZ LYS 4 2HZ LYS 4 -3.726 -22.342 8.279 38 3HZ LYS 4 3HZ LYS 4 -3.445 -23.084 9.732 39 H CYS 5 H CYS 5 -1.746 -16.114 6.589 40 HA CYS 5 HA CYS 5 0.151 -14.148 6.894 41 1HB CYS 5 1HB CYS 5 -0.949 -15.448 4.770 42 2HB CYS 5 2HB CYS 5 -1.393 -13.778 4.480 43 H GLN 6 H GLN 6 -3.250 -13.507 5.964 44 HA GLN 6 HA GLN 6 -3.389 -10.846 5.986 45 1HB GLN 6 1HB GLN 6 -5.246 -12.925 6.574 46 2HB GLN 6 2HB GLN 6 -5.559 -11.529 7.585 47 1HG GLN 6 1HG GLN 6 -5.017 -10.638 4.938 48 2HG GLN 6 2HG GLN 6 -6.228 -11.903 4.868 49 1HE2 GLN 6 2HE2 GLN 6 -7.422 -9.960 4.008 50 2HE2 GLN 6 1HE2 GLN 6 -8.305 -9.007 5.179 51 H ARG 7 H ARG 7 -3.595 -12.732 8.980 52 HA ARG 7 HA ARG 7 -3.297 -10.374 10.597 53 1HB ARG 7 1HB ARG 7 -4.275 -12.820 11.125 54 2HB ARG 7 2HB ARG 7 -2.661 -12.983 11.785 55 1HG ARG 7 1HG ARG 7 -3.279 -10.573 12.786 56 2HG ARG 7 2HG ARG 7 -4.896 -11.240 12.666 57 1HD ARG 7 1HD ARG 7 -3.871 -13.311 13.834 58 2HD ARG 7 2HD ARG 7 -2.574 -12.222 14.281 59 HE ARG 7 HE ARG 7 -4.881 -10.886 15.006 60 1HH1 ARG 7 1HH2 ARG 7 -3.445 -13.965 15.844 61 2HH1 ARG 7 2HH2 ARG 7 -4.187 -13.994 17.429 62 1HH2 ARG 7 1HH1 ARG 7 -5.824 -10.966 17.031 63 2HH2 ARG 7 2HH1 ARG 7 -5.512 -12.323 18.089 64 H GLU 8 H GLU 8 -1.103 -12.932 9.498 65 HA GLU 8 HA GLU 8 1.158 -12.278 10.970 66 1HB GLU 8 1HB GLU 8 0.520 -14.024 8.864 67 2HB GLU 8 2HB GLU 8 1.942 -13.121 8.380 68 1HG GLU 8 1HG GLU 8 2.497 -13.744 10.994 69 2HG GLU 8 2HG GLU 8 1.650 -15.173 10.434 70 H PHE 9 H PHE 9 -0.300 -10.574 8.385 71 HA PHE 9 HA PHE 9 2.042 -9.144 7.520 72 1HB PHE 9 1HB PHE 9 0.331 -9.392 5.943 73 2HB PHE 9 2HB PHE 9 -0.910 -8.962 7.102 74 HD1 PHE 9 1HD PHE 9 -1.276 -6.569 7.730 75 HD2 PHE 9 2HD PHE 9 1.389 -7.779 4.597 76 HE1 PHE 9 1HE PHE 9 -1.107 -4.206 7.013 77 HE2 PHE 9 2HE PHE 9 1.372 -5.461 3.747 78 HZ PHE 9 HZ PHE 9 0.206 -3.647 4.968 79 H GLN 10 H GLN 10 -0.975 -8.231 9.225 80 HA GLN 10 HA GLN 10 0.284 -5.764 10.100 81 1HB GLN 10 1HB GLN 10 -2.259 -6.298 9.429 82 2HB GLN 10 2HB GLN 10 -2.358 -6.518 11.165 83 1HG GLN 10 1HG GLN 10 -0.863 -4.180 10.804 84 2HG GLN 10 2HG GLN 10 -2.170 -4.072 9.643 85 1HE2 GLN 10 2HE2 GLN 10 -1.912 -2.280 11.756 86 2HE2 GLN 10 1HE2 GLN 10 -3.244 -2.525 12.864 87 H GLN 11 H GLN 11 0.480 -8.850 11.103 88 HA GLN 11 HA GLN 11 -0.095 -8.854 13.836 89 1HB GLN 11 1HB GLN 11 1.296 -10.578 11.969 90 2HB GLN 11 2HB GLN 11 2.092 -10.535 13.530 91 1HG GLN 11 1HG GLN 11 -0.829 -10.746 13.679 92 2HG GLN 11 2HG GLN 11 -0.054 -12.119 12.915 93 1HE2 GLN 11 2HE2 GLN 11 -1.354 -11.368 15.674 94 2HE2 GLN 11 1HE2 GLN 11 -0.264 -12.147 16.799 95 H GLU 12 H GLU 12 3.109 -8.696 12.305 96 HA GLU 12 HA GLU 12 3.936 -6.458 13.901 97 1HB GLU 12 1HB GLU 12 4.960 -9.189 14.607 98 2HB GLU 12 2HB GLU 12 5.767 -7.704 15.069 99 1HG GLU 12 1HG GLU 12 3.478 -7.048 16.071 100 2HG GLU 12 2HG GLU 12 3.123 -8.762 15.970 101 H GLN 13 H GLN 13 3.771 -7.159 11.122 102 HA GLN 13 HA GLN 13 6.469 -6.458 10.375 103 1HB GLN 13 1HB GLN 13 6.151 -9.120 10.553 104 2HB GLN 13 2HB GLN 13 5.582 -8.865 8.916 105 1HG GLN 13 1HG GLN 13 7.714 -7.458 8.600 106 2HG GLN 13 2HG GLN 13 8.276 -8.214 10.077 107 1HE2 GLN 13 2HE2 GLN 13 7.863 -8.532 6.700 108 2HE2 GLN 13 1HE2 GLN 13 8.449 -10.172 6.553 109 H HIS 14 H HIS 14 4.428 -4.847 10.133 110 HA HIS 14 HA HIS 14 2.790 -5.194 7.830 111 1HB HIS 14 1HB HIS 14 3.520 -2.510 8.889 112 2HB HIS 14 2HB HIS 14 1.985 -3.071 8.253 113 HD1 HIS 14 1HD HIS 14 1.872 -1.520 10.862 114 HD2 HIS 14 2HD HIS 14 2.463 -5.681 10.630 115 HE1 HIS 14 1HE HIS 14 1.149 -2.496 13.130 116 HE2 HIS 14 2HE HIS 14 1.582 -5.015 12.989 117 H LEU 15 H LEU 15 3.290 -2.520 6.685 118 HA LEU 15 HA LEU 15 5.813 -3.126 5.267 119 1HB LEU 15 1HB LEU 15 3.469 -1.823 3.971 120 2HB LEU 15 2HB LEU 15 4.864 -2.572 3.218 121 HG LEU 15 HG LEU 15 2.472 -3.851 4.422 122 1HD1 LEU 15 1HD1 LEU 15 2.303 -3.284 2.074 123 2HD1 LEU 15 2HD1 LEU 15 3.828 -4.175 1.743 124 3HD1 LEU 15 3HD1 LEU 15 2.367 -5.067 2.292 125 1HD2 LEU 15 1HD2 LEU 15 5.051 -5.268 3.767 126 2HD2 LEU 15 2HD2 LEU 15 4.328 -5.059 5.398 127 3HD2 LEU 15 3HD2 LEU 15 3.488 -6.060 4.162 128 H ARG 16 H ARG 16 6.568 -1.142 4.049 129 HA ARG 16 HA ARG 16 6.329 1.269 5.718 130 1HB ARG 16 1HB ARG 16 8.916 1.400 4.998 131 2HB ARG 16 2HB ARG 16 8.360 0.808 6.551 132 1HG ARG 16 1HG ARG 16 8.711 -1.053 4.232 133 2HG ARG 16 2HG ARG 16 10.069 -0.608 5.246 134 1HD ARG 16 1HD ARG 16 8.389 -1.276 7.177 135 2HD ARG 16 2HD ARG 16 7.675 -2.242 5.902 136 HE ARG 16 HE ARG 16 10.270 -2.914 5.678 137 1HH1 ARG 16 1HH2 ARG 16 8.169 -2.746 8.474 138 2HH1 ARG 16 2HH2 ARG 16 9.043 -3.995 9.331 139 1HH2 ARG 16 1HH1 ARG 16 11.364 -4.495 6.801 140 2HH2 ARG 16 2HH1 ARG 16 10.827 -4.971 8.396 141 H ALA 17 H ALA 17 8.542 0.584 3.027 142 HA ALA 17 HA ALA 17 7.981 2.776 1.531 143 1HB ALA 17 1HB ALA 17 9.808 1.286 1.018 144 2HB ALA 17 2HB ALA 17 8.643 0.009 0.523 145 3HB ALA 17 3HB ALA 17 8.772 1.527 -0.432 146 H CYS 18 H CYS 18 5.812 0.127 1.966 147 HA CYS 18 HA CYS 18 4.129 0.810 -0.260 148 1HB CYS 18 1HB CYS 18 4.460 -1.353 1.567 149 2HB CYS 18 2HB CYS 18 2.787 -0.835 1.531 150 H GLN 19 H GLN 19 3.804 0.860 3.318 151 HA GLN 19 HA GLN 19 1.610 2.741 3.132 152 1HB GLN 19 1HB GLN 19 2.940 1.203 5.287 153 2HB GLN 19 2HB GLN 19 2.037 2.636 5.736 154 1HG GLN 19 1HG GLN 19 0.728 0.861 3.813 155 2HG GLN 19 2HG GLN 19 0.940 0.205 5.423 156 1HE2 GLN 19 2HE2 GLN 19 0.200 3.420 4.124 157 2HE2 GLN 19 1HE2 GLN 19 -1.234 3.688 5.092 158 H GLN 20 H GLN 20 4.141 3.688 2.054 159 HA GLN 20 HA GLN 20 4.448 6.073 3.736 160 1HB GLN 20 1HB GLN 20 6.765 4.418 2.792 161 2HB GLN 20 2HB GLN 20 6.892 6.034 3.455 162 1HG GLN 20 1HG GLN 20 5.395 4.142 5.115 163 2HG GLN 20 2HG GLN 20 7.089 3.744 4.905 164 1HE2 GLN 20 2HE2 GLN 20 5.444 4.694 7.257 165 2HE2 GLN 20 1HE2 GLN 20 6.342 6.071 7.854 166 H TRP 21 H TRP 21 5.309 4.401 0.683 167 HA TRP 21 HA TRP 21 5.999 6.692 -0.779 168 1HB TRP 21 1HB TRP 21 5.821 5.395 -2.647 169 2HB TRP 21 2HB TRP 21 6.037 4.189 -1.394 170 HD1 TRP 21 HD TRP 21 4.148 2.383 -1.132 171 HE1 TRP 21 1HE TRP 21 1.954 1.875 -2.388 172 HE3 TRP 21 3HE TRP 21 3.885 6.654 -3.839 173 HZ2 TRP 21 2HZ TRP 21 0.277 3.229 -4.298 174 HZ3 TRP 21 3HZ TRP 21 1.910 7.097 -5.269 175 HH2 TRP 21 HH TRP 21 0.196 5.345 -5.592 176 H ILE 22 H ILE 22 2.882 5.435 0.187 177 HA ILE 22 HA ILE 22 1.388 7.249 -1.495 178 HB ILE 22 HB ILE 22 0.406 5.685 0.868 179 1HG1 ILE 22 1HG1 ILE 22 0.315 4.765 -1.969 180 2HG1 ILE 22 2HG1 ILE 22 1.634 4.341 -0.897 181 1HG2 ILE 22 1HG2 ILE 22 -1.136 7.421 0.056 182 2HG2 ILE 22 2HG2 ILE 22 -1.005 6.749 -1.605 183 3HG2 ILE 22 3HG2 ILE 22 -1.771 5.777 -0.299 184 1HD1 ILE 22 1HD1 ILE 22 0.061 3.265 0.652 185 2HD1 ILE 22 2HD1 ILE 22 -1.293 3.700 -0.447 186 3HD1 ILE 22 3HD1 ILE 22 -0.028 2.545 -0.993 187 H ARG 23 H ARG 23 2.570 7.124 1.836 188 HA ARG 23 HA ARG 23 1.307 9.531 2.687 189 1HB ARG 23 1HB ARG 23 3.157 7.604 3.786 190 2HB ARG 23 2HB ARG 23 3.547 9.249 4.245 191 1HG ARG 23 1HG ARG 23 2.028 8.613 5.891 192 2HG ARG 23 2HG ARG 23 1.014 9.461 4.740 193 1HD ARG 23 1HD ARG 23 -0.097 7.577 4.134 194 2HD ARG 23 2HD ARG 23 1.340 6.578 4.235 195 HE ARG 23 HE ARG 23 -0.682 6.788 6.203 196 1HH1 ARG 23 1HH2 ARG 23 2.824 6.761 6.035 197 2HH1 ARG 23 2HH2 ARG 23 2.991 6.124 7.656 198 1HH2 ARG 23 1HH1 ARG 23 -0.393 5.974 8.283 199 2HH2 ARG 23 2HH1 ARG 23 1.223 5.692 8.890 200 H GLN 24 H GLN 24 4.329 8.873 1.047 201 HA GLN 24 HA GLN 24 5.574 11.360 1.559 202 1HB GLN 24 1HB GLN 24 7.217 10.634 0.102 203 2HB GLN 24 2HB GLN 24 6.534 9.123 0.665 204 1HG GLN 24 1HG GLN 24 6.302 8.579 -1.494 205 2HG GLN 24 2HG GLN 24 4.980 9.729 -1.529 206 1HE2 GLN 24 2HE2 GLN 24 6.792 12.063 -1.192 207 2HE2 GLN 24 1HE2 GLN 24 7.547 12.263 -2.758 208 H GLN 25 H GLN 25 2.885 10.484 -0.361 209 HA GLN 25 HA GLN 25 3.171 12.658 -2.246 210 1HB GLN 25 1HB GLN 25 2.026 10.939 -3.223 211 2HB GLN 25 2HB GLN 25 1.230 10.478 -1.731 212 1HG GLN 25 1HG GLN 25 -0.402 11.375 -3.280 213 2HG GLN 25 2HG GLN 25 -0.223 12.465 -1.921 214 1HE2 GLN 25 2HE2 GLN 25 -1.146 14.146 -3.264 215 2HE2 GLN 25 1HE2 GLN 25 -0.142 14.966 -4.439 216 H LEU 26 H LEU 26 2.156 12.379 0.995 217 HA LEU 26 HA LEU 26 0.678 14.914 0.756 218 1HB LEU 26 1HB LEU 26 0.203 13.036 3.003 219 2HB LEU 26 2HB LEU 26 -0.856 14.258 2.330 220 HG LEU 26 HG LEU 26 -0.647 12.558 0.229 221 1HD1 LEU 26 1HD1 LEU 26 0.715 10.978 1.505 222 2HD1 LEU 26 2HD1 LEU 26 -0.578 10.885 2.749 223 3HD1 LEU 26 3HD1 LEU 26 -0.883 10.268 1.088 224 1HD2 LEU 26 1HD2 LEU 26 -2.603 12.320 2.529 225 2HD2 LEU 26 2HD2 LEU 26 -2.735 13.466 1.151 226 3HD2 LEU 26 3HD2 LEU 26 -2.856 11.696 0.863 227 H ALA 27 H ALA 27 0.668 16.096 2.937 228 HA ALA 27 HA ALA 27 3.427 16.532 3.664 229 1HB ALA 27 1HB ALA 27 1.844 18.383 3.466 230 2HB ALA 27 2HB ALA 27 0.832 17.659 4.764 231 3HB ALA 27 3HB ALA 27 2.477 18.279 5.145 232 H GLY 28 H GLY 28 1.319 14.155 4.522 233 1HA GLY 28 1HA GLY 28 1.546 13.919 7.307 234 2HA GLY 28 2HA GLY 28 1.262 12.609 6.179 235 H SER 29 H SER 29 3.435 12.283 4.740 236 HA SER 29 HA SER 29 5.225 10.848 6.126 237 1HB SER 29 1HB SER 29 5.232 11.083 3.673 238 2HB SER 29 2HB SER 29 6.017 12.640 3.846 239 HG SER 29 HG SER 29 7.525 10.916 3.639 240 HA PRO 30 HA PRO 30 6.897 14.102 8.687 241 1HB PRO 30 1HB PRO 30 7.575 12.469 10.807 242 2HB PRO 30 2HB PRO 30 6.024 13.262 10.621 243 1HG PRO 30 1HG PRO 30 6.700 10.423 10.263 244 2HG PRO 30 2HG PRO 30 5.127 11.157 10.494 245 1HD PRO 30 1HD PRO 30 6.237 10.223 8.055 246 2HD PRO 30 2HD PRO 30 4.722 11.074 8.269 247 H PHE 31 H PHE 31 9.062 13.607 10.345 248 HA PHE 31 HA PHE 31 11.134 12.266 8.810 249 1HB PHE 31 1HB PHE 31 11.443 15.209 9.224 250 2HB PHE 31 2HB PHE 31 12.340 14.150 8.153 251 HD1 PHE 31 1HD PHE 31 11.507 13.551 5.951 252 HD2 PHE 31 2HD PHE 31 9.237 16.096 8.596 253 HE1 PHE 31 1HE PHE 31 9.975 14.142 4.080 254 HE2 PHE 31 2HE PHE 31 7.721 16.699 6.714 255 HZ PHE 31 HZ PHE 31 8.121 15.759 4.442 256 H SER 32 H SER 32 12.233 11.269 10.385 257 HA SER 32 HA SER 32 12.843 12.832 12.839 258 1HB SER 32 1HB SER 32 11.379 11.145 13.539 259 2HB SER 32 2HB SER 32 12.130 9.949 12.501 260 HG SER 32 HG SER 32 12.697 9.681 14.700 261 H GLU 33 H GLU 33 13.942 10.224 10.679 262 HA GLU 33 HA GLU 33 16.718 11.082 11.235 263 1HB GLU 33 1HB GLU 33 16.086 8.955 12.459 264 2HB GLU 33 2HB GLU 33 15.937 8.201 10.884 265 1HG GLU 33 1HG GLU 33 18.163 7.948 10.742 266 2HG GLU 33 2HG GLU 33 18.412 9.659 11.032 267 H ASN 34 H ASN 34 15.199 8.589 9.182 268 HA ASN 34 HA ASN 34 16.802 9.260 6.924 269 1HB ASN 34 1HB ASN 34 14.578 7.434 7.531 270 2HB ASN 34 2HB ASN 34 14.684 7.945 5.859 271 1HD2 ASN 34 2HD2 ASN 34 15.269 5.383 7.480 272 2HD2 ASN 34 1HD2 ASN 34 16.831 4.881 6.873 273 H GLN 35 H GLN 35 16.116 10.116 4.894 274 HA GLN 35 HA GLN 35 14.236 12.321 5.232 275 1HB GLN 35 1HB GLN 35 16.533 11.793 3.586 276 2HB GLN 35 2HB GLN 35 15.177 12.323 2.610 277 1HG GLN 35 1HG GLN 35 15.847 14.399 3.196 278 2HG GLN 35 2HG GLN 35 15.029 14.052 4.706 279 1HE2 GLN 35 2HE2 GLN 35 16.243 15.019 6.226 280 2HE2 GLN 35 1HE2 GLN 35 17.962 14.774 6.435 281 H TRP 36 H TRP 36 12.245 11.308 5.384 282 HA TRP 36 HA TRP 36 11.384 9.692 3.109 283 1HB TRP 36 1HB TRP 36 10.594 10.018 5.831 284 2HB TRP 36 2HB TRP 36 9.210 10.180 4.770 285 HD1 TRP 36 HD TRP 36 8.962 7.999 2.924 286 HE1 TRP 36 1HE TRP 36 9.372 5.480 3.386 287 HE3 TRP 36 3HE TRP 36 11.661 8.445 7.220 288 HZ2 TRP 36 2HZ TRP 36 10.516 3.885 5.496 289 HZ3 TRP 36 3HZ TRP 36 12.416 6.418 8.440 290 HH2 TRP 36 HH TRP 36 11.851 4.154 7.593 291 H GLY 37 H GLY 37 12.200 12.191 2.293 292 1HA GLY 37 1HA GLY 37 9.655 13.632 1.817 293 2HA GLY 37 2HA GLY 37 11.258 14.335 1.712 294 HA PRO 38 HA PRO 38 10.202 13.407 -2.578 295 1HB PRO 38 1HB PRO 38 11.406 15.650 -3.611 296 2HB PRO 38 2HB PRO 38 9.718 15.542 -3.150 297 1HG PRO 38 1HG PRO 38 11.920 16.934 -1.778 298 2HG PRO 38 2HG PRO 38 10.193 17.155 -1.586 299 1HD PRO 38 1HD PRO 38 11.956 15.716 0.136 300 2HD PRO 38 2HD PRO 38 10.219 15.879 0.290 301 H GLN 39 H GLN 39 12.982 13.538 -0.739 302 HA GLN 39 HA GLN 39 14.995 13.297 -2.730 303 1HB GLN 39 1HB GLN 39 14.815 13.220 0.130 304 2HB GLN 39 2HB GLN 39 15.811 11.894 -0.436 305 1HG GLN 39 1HG GLN 39 17.302 13.720 -0.188 306 2HG GLN 39 2HG GLN 39 16.991 13.614 -1.909 307 1HE2 GLN 39 2HE2 GLN 39 16.294 15.379 1.054 308 2HE2 GLN 39 1HE2 GLN 39 15.669 16.821 0.287 309 H GLN 40 H GLN 40 13.327 10.882 -0.739 310 HA GLN 40 HA GLN 40 13.995 8.877 -2.802 311 1HB GLN 40 1HB GLN 40 14.269 8.793 0.100 312 2HB GLN 40 2HB GLN 40 13.423 7.411 -0.569 313 1HG GLN 40 1HG GLN 40 15.328 6.552 -1.370 314 2HG GLN 40 2HG GLN 40 15.721 8.056 -2.181 315 1HE2 GLN 40 2HE2 GLN 40 17.429 9.153 -1.513 316 2HE2 GLN 40 1HE2 GLN 40 18.224 8.939 0.031 317 H GLY 41 H GLY 41 11.553 10.779 -2.035 318 1HA GLY 41 1HA GLY 41 9.293 9.414 -1.477 319 2HA GLY 41 2HA GLY 41 9.386 10.619 -2.746 320 HA PRO 42 HA PRO 42 8.915 7.429 -5.750 321 1HB PRO 42 1HB PRO 42 11.088 7.483 -7.441 322 2HB PRO 42 2HB PRO 42 9.728 8.584 -7.519 323 1HG PRO 42 1HG PRO 42 12.467 9.097 -6.571 324 2HG PRO 42 2HG PRO 42 11.238 10.249 -7.053 325 1HD PRO 42 1HD PRO 42 12.002 9.557 -4.408 326 2HD PRO 42 2HD PRO 42 10.701 10.626 -4.892 327 H SER 43 H SER 43 11.926 7.279 -4.065 328 HA SER 43 HA SER 43 12.588 4.573 -4.722 329 1HB SER 43 1HB SER 43 13.615 5.821 -2.255 330 2HB SER 43 2HB SER 43 14.450 4.872 -3.468 331 HG SER 43 HG SER 43 15.065 7.085 -3.511 332 H LEU 44 H LEU 44 10.279 3.904 -4.269 333 HA LEU 44 HA LEU 44 10.257 2.578 -1.691 334 1HB LEU 44 1HB LEU 44 8.234 4.651 -2.450 335 2HB LEU 44 2HB LEU 44 7.869 3.365 -1.318 336 HG LEU 44 HG LEU 44 10.143 4.348 -0.245 337 1HD1 LEU 44 1HD1 LEU 44 10.320 6.128 -1.877 338 2HD1 LEU 44 2HD1 LEU 44 8.669 6.691 -1.435 339 3HD1 LEU 44 3HD1 LEU 44 10.003 6.787 -0.233 340 1HD2 LEU 44 1HD2 LEU 44 7.377 5.448 0.294 341 2HD2 LEU 44 2HD2 LEU 44 8.083 3.962 1.020 342 3HD2 LEU 44 3HD2 LEU 44 8.798 5.570 1.390 343 H ARG 45 H ARG 45 8.691 3.276 -4.823 344 HA ARG 45 HA ARG 45 6.940 1.109 -4.932 345 1HB ARG 45 1HB ARG 45 8.165 2.925 -6.796 346 2HB ARG 45 2HB ARG 45 8.014 1.324 -7.490 347 1HG ARG 45 1HG ARG 45 6.044 2.873 -7.835 348 2HG ARG 45 2HG ARG 45 5.674 1.296 -7.166 349 1HD ARG 45 1HD ARG 45 4.794 2.217 -5.320 350 2HD ARG 45 2HD ARG 45 6.235 3.178 -5.052 351 HE ARG 45 HE ARG 45 5.179 5.004 -5.967 352 1HH1 ARG 45 1HH2 ARG 45 3.319 2.130 -6.685 353 2HH1 ARG 45 2HH2 ARG 45 2.036 3.031 -7.464 354 1HH2 ARG 45 1HH1 ARG 45 3.551 6.115 -7.042 355 2HH2 ARG 45 2HH1 ARG 45 2.166 5.245 -7.661 356 H GLU 46 H GLU 46 10.337 1.215 -5.974 357 HA GLU 46 HA GLU 46 10.451 -1.546 -6.682 358 1HB GLU 46 1HB GLU 46 12.611 0.426 -5.973 359 2HB GLU 46 2HB GLU 46 12.919 -1.182 -6.599 360 1HG GLU 46 1HG GLU 46 11.791 -0.668 -8.659 361 2HG GLU 46 2HG GLU 46 11.228 0.865 -8.025 362 H GLN 47 H GLN 47 11.157 0.249 -3.722 363 HA GLN 47 HA GLN 47 12.275 -1.923 -2.283 364 1HB GLN 47 1HB GLN 47 11.691 0.793 -1.772 365 2HB GLN 47 2HB GLN 47 10.942 -0.160 -0.507 366 1HG GLN 47 1HG GLN 47 13.091 -1.320 -0.134 367 2HG GLN 47 2HG GLN 47 13.830 -0.320 -1.366 368 1HE2 GLN 47 2HE2 GLN 47 11.744 0.099 1.519 369 2HE2 GLN 47 1HE2 GLN 47 12.626 1.464 2.166 370 H CYS 48 H CYS 48 8.983 -0.520 -2.139 371 HA CYS 48 HA CYS 48 7.825 -2.444 -0.502 372 1HB CYS 48 1HB CYS 48 6.513 -0.522 -0.827 373 2HB CYS 48 2HB CYS 48 6.660 -0.609 -2.571 374 H CYS 49 H CYS 49 8.432 -2.436 -4.014 375 HA CYS 49 HA CYS 49 7.033 -4.817 -4.581 376 1HB CYS 49 1HB CYS 49 8.722 -3.051 -5.927 377 2HB CYS 49 2HB CYS 49 9.445 -4.639 -6.088 378 H ASN 50 H ASN 50 9.926 -4.321 -2.802 379 HA ASN 50 HA ASN 50 10.495 -7.207 -2.712 380 1HB ASN 50 1HB ASN 50 12.127 -4.805 -2.758 381 2HB ASN 50 2HB ASN 50 12.541 -5.865 -1.426 382 1HD2 ASN 50 2HD2 ASN 50 11.469 -6.312 -4.796 383 2HD2 ASN 50 1HD2 ASN 50 12.744 -7.427 -5.235 384 H GLU 51 H GLU 51 9.151 -4.627 -0.941 385 HA GLU 51 HA GLU 51 9.688 -5.875 1.652 386 1HB GLU 51 1HB GLU 51 9.687 -3.816 2.476 387 2HB GLU 51 2HB GLU 51 9.611 -3.232 0.825 388 1HG GLU 51 1HG GLU 51 7.091 -3.478 0.992 389 2HG GLU 51 2HG GLU 51 7.319 -3.721 2.712 390 H LEU 52 H LEU 52 7.363 -5.783 -0.784 391 HA LEU 52 HA LEU 52 5.218 -6.545 1.061 392 1HB LEU 52 1HB LEU 52 3.768 -5.499 -0.252 393 2HB LEU 52 2HB LEU 52 5.188 -4.674 -0.860 394 HG LEU 52 HG LEU 52 4.008 -5.239 -2.734 395 1HD1 LEU 52 1HD1 LEU 52 6.323 -5.908 -3.087 396 2HD1 LEU 52 2HD1 LEU 52 5.940 -7.547 -2.452 397 3HD1 LEU 52 3HD1 LEU 52 5.189 -6.978 -3.984 398 1HD2 LEU 52 1HD2 LEU 52 3.509 -7.947 -1.504 399 2HD2 LEU 52 2HD2 LEU 52 2.332 -6.600 -1.676 400 3HD2 LEU 52 3HD2 LEU 52 2.964 -7.433 -3.138 401 H TYR 53 H TYR 53 7.501 -7.707 -1.181 402 HA TYR 53 HA TYR 53 5.962 -10.097 -1.896 403 1HB TYR 53 1HB TYR 53 7.891 -8.494 -3.129 404 2HB TYR 53 2HB TYR 53 8.708 -9.999 -2.760 405 HD1 TYR 53 1HD TYR 53 7.098 -12.152 -3.321 406 HD2 TYR 53 2HD TYR 53 7.107 -8.327 -5.310 407 HE1 TYR 53 1HE TYR 53 6.203 -13.219 -5.383 408 HE2 TYR 53 2HE TYR 53 6.206 -9.405 -7.365 409 HH TYR 53 HH TYR 53 5.364 -11.312 -8.257 410 H GLN 54 H GLN 54 7.822 -9.011 0.611 411 HA GLN 54 HA GLN 54 9.345 -11.425 1.077 412 1HB GLN 54 1HB GLN 54 9.832 -10.290 3.263 413 2HB GLN 54 2HB GLN 54 10.339 -9.419 1.830 414 1HG GLN 54 1HG GLN 54 8.615 -7.862 2.019 415 2HG GLN 54 2HG GLN 54 7.690 -8.884 3.102 416 1HE2 GLN 54 2HE2 GLN 54 7.431 -7.375 4.731 417 2HE2 GLN 54 1HE2 GLN 54 8.772 -6.802 5.698 418 H GLU 55 H GLU 55 6.262 -10.075 2.029 419 HA GLU 55 HA GLU 55 5.860 -12.038 4.119 420 1HB GLU 55 1HB GLU 55 3.855 -10.170 2.913 421 2HB GLU 55 2HB GLU 55 3.736 -11.008 4.448 422 1HG GLU 55 1HG GLU 55 6.047 -9.703 4.829 423 2HG GLU 55 2HG GLU 55 5.258 -8.588 3.733 424 H ASP 56 H ASP 56 6.173 -12.602 1.060 425 HA ASP 56 HA ASP 56 5.562 -14.362 -0.253 426 1HB ASP 56 1HB ASP 56 4.872 -15.356 2.087 427 2HB ASP 56 2HB ASP 56 3.250 -15.058 1.496 428 H GLN 57 H GLN 57 3.234 -15.264 -1.206 429 HA GLN 57 HA GLN 57 1.995 -12.878 -2.310 430 1HB GLN 57 1HB GLN 57 2.090 -15.745 -2.949 431 2HB GLN 57 2HB GLN 57 0.620 -14.907 -3.400 432 1HG GLN 57 1HG GLN 57 2.413 -14.917 -5.164 433 2HG GLN 57 2HG GLN 57 1.828 -13.326 -4.716 434 1HE2 GLN 57 2HE2 GLN 57 4.378 -15.679 -3.820 435 2HE2 GLN 57 1HE2 GLN 57 5.603 -14.469 -3.513 436 H VAL 58 H VAL 58 1.299 -15.261 0.074 437 HA VAL 58 HA VAL 58 -1.522 -14.864 0.203 438 HB VAL 58 HB VAL 58 -0.101 -15.698 2.630 439 1HG1 VAL 58 1HG1 VAL 58 -2.525 -15.844 2.416 440 2HG1 VAL 58 2HG1 VAL 58 -2.329 -16.877 0.957 441 3HG1 VAL 58 3HG1 VAL 58 -1.793 -17.480 2.565 442 1HG2 VAL 58 1HG2 VAL 58 -0.009 -17.393 0.109 443 2HG2 VAL 58 2HG2 VAL 58 1.408 -16.656 0.931 444 3HG2 VAL 58 3HG2 VAL 58 0.454 -17.935 1.760 445 H CYS 59 H CYS 59 1.041 -12.872 0.987 446 HA CYS 59 HA CYS 59 -0.639 -11.264 2.811 447 1HB CYS 59 1HB CYS 59 2.294 -11.619 2.563 448 2HB CYS 59 2HB CYS 59 1.604 -10.198 3.319 449 H VAL 60 H VAL 60 1.254 -11.362 -0.149 450 HA VAL 60 HA VAL 60 1.513 -8.740 -0.843 451 HB VAL 60 HB VAL 60 0.866 -11.182 -2.353 452 1HG1 VAL 60 1HG1 VAL 60 -0.575 -9.569 -3.455 453 2HG1 VAL 60 2HG1 VAL 60 0.805 -8.428 -3.606 454 3HG1 VAL 60 3HG1 VAL 60 0.823 -9.985 -4.504 455 1HG2 VAL 60 1HG2 VAL 60 3.098 -9.162 -2.519 456 2HG2 VAL 60 2HG2 VAL 60 3.152 -10.761 -1.698 457 3HG2 VAL 60 3HG2 VAL 60 2.978 -10.672 -3.486 458 H CYS 61 H CYS 61 -1.486 -10.584 -0.759 459 HA CYS 61 HA CYS 61 -2.945 -8.303 -0.092 460 1HB CYS 61 1HB CYS 61 -2.510 -8.724 -2.889 461 2HB CYS 61 2HB CYS 61 -4.217 -8.836 -2.510 462 HA PRO 62 HA PRO 62 -5.237 -7.973 -0.992 463 1HB PRO 62 1HB PRO 62 -7.508 -7.700 0.477 464 2HB PRO 62 2HB PRO 62 -7.457 -8.257 -1.184 465 1HG PRO 62 1HG PRO 62 -7.902 -9.813 1.273 466 2HG PRO 62 2HG PRO 62 -8.270 -10.247 -0.383 467 1HD PRO 62 1HD PRO 62 -6.061 -11.147 1.192 468 2HD PRO 62 2HD PRO 62 -6.391 -11.525 -0.486 469 H THR 63 H THR 63 -4.110 -9.395 1.691 470 HA THR 63 HA THR 63 -4.334 -7.846 3.872 471 HB THR 63 HB THR 63 -1.562 -8.497 3.096 472 HG1 THR 63 1HG THR 63 -2.131 -10.730 3.278 473 1HG2 THR 63 1HG2 THR 63 -2.252 -7.944 5.417 474 2HG2 THR 63 2HG2 THR 63 -3.388 -9.336 5.361 475 3HG2 THR 63 3HG2 THR 63 -1.614 -9.618 5.261 476 H LEU 64 H LEU 64 -2.171 -7.019 1.119 477 HA LEU 64 HA LEU 64 -1.102 -4.648 2.032 478 1HB LEU 64 1HB LEU 64 -1.293 -5.941 -0.392 479 2HB LEU 64 2HB LEU 64 -2.066 -4.396 -0.683 480 HG LEU 64 HG LEU 64 0.508 -4.281 0.743 481 1HD1 LEU 64 1HD1 LEU 64 0.968 -6.058 -0.881 482 2HD1 LEU 64 2HD1 LEU 64 0.327 -5.008 -2.191 483 3HD1 LEU 64 3HD1 LEU 64 1.826 -4.538 -1.315 484 1HD2 LEU 64 1HD2 LEU 64 -0.669 -2.780 -1.622 485 2HD2 LEU 64 2HD2 LEU 64 -0.743 -2.257 0.096 486 3HD2 LEU 64 3HD2 LEU 64 0.841 -2.344 -0.751 487 H LYS 65 H LYS 65 -4.395 -5.143 0.821 488 HA LYS 65 HA LYS 65 -5.440 -2.646 0.685 489 1HB LYS 65 1HB LYS 65 -6.755 -4.645 0.309 490 2HB LYS 65 2HB LYS 65 -6.704 -5.024 2.018 491 1HG LYS 65 1HG LYS 65 -8.216 -3.426 2.562 492 2HG LYS 65 2HG LYS 65 -7.714 -2.358 1.265 493 1HD LYS 65 1HD LYS 65 -9.934 -3.136 0.781 494 2HD LYS 65 2HD LYS 65 -8.831 -3.894 -0.349 495 1HE LYS 65 1HE LYS 65 -8.762 -5.846 1.310 496 2HE LYS 65 2HE LYS 65 -10.174 -5.110 2.042 497 1HZ LYS 65 1HZ LYS 65 -11.271 -5.230 -0.068 498 2HZ LYS 65 2HZ LYS 65 -9.937 -5.924 -0.760 499 3HZ LYS 65 3HZ LYS 65 -10.779 -6.737 0.411 500 H GLN 66 H GLN 66 -4.368 -4.235 3.601 501 HA GLN 66 HA GLN 66 -5.359 -2.322 5.428 502 1HB GLN 66 1HB GLN 66 -4.273 -4.769 5.699 503 2HB GLN 66 2HB GLN 66 -2.915 -3.760 6.158 504 1HG GLN 66 1HG GLN 66 -4.388 -4.408 8.068 505 2HG GLN 66 2HG GLN 66 -4.207 -2.678 7.864 506 1HE2 GLN 66 2HE2 GLN 66 -5.962 -1.409 7.385 507 2HE2 GLN 66 1HE2 GLN 66 -7.589 -2.028 7.211 508 H ALA 67 H ALA 67 -2.143 -2.759 3.990 509 HA ALA 67 HA ALA 67 -1.079 -0.340 4.959 510 1HB ALA 67 1HB ALA 67 0.336 -2.177 4.247 511 2HB ALA 67 2HB ALA 67 -0.311 -2.044 2.574 512 3HB ALA 67 3HB ALA 67 0.685 -0.713 3.260 513 H ALA 68 H ALA 68 -3.592 -0.700 2.841 514 HA ALA 68 HA ALA 68 -3.030 1.908 1.574 515 1HB ALA 68 1HB ALA 68 -3.101 0.056 -0.014 516 2HB ALA 68 2HB ALA 68 -4.706 -0.433 0.632 517 3HB ALA 68 3HB ALA 68 -4.524 1.131 -0.234 518 H LYS 69 H LYS 69 -4.752 0.362 3.985 519 HA LYS 69 HA LYS 69 -7.187 1.911 3.684 520 1HB LYS 69 1HB LYS 69 -7.325 -0.394 4.454 521 2HB LYS 69 2HB LYS 69 -6.343 0.010 5.848 522 1HG LYS 69 1HG LYS 69 -8.702 -0.004 6.458 523 2HG LYS 69 2HG LYS 69 -8.059 1.622 6.573 524 1HD LYS 69 1HD LYS 69 -9.407 2.398 4.947 525 2HD LYS 69 2HD LYS 69 -9.191 0.968 3.956 526 1HE LYS 69 1HE LYS 69 -11.145 0.126 4.624 527 2HE LYS 69 2HE LYS 69 -10.736 0.361 6.310 528 1HZ LYS 69 1HZ LYS 69 -11.408 2.636 6.106 529 2HZ LYS 69 2HZ LYS 69 -11.795 2.413 4.512 530 3HZ LYS 69 3HZ LYS 69 -12.653 1.627 5.690 531 H SER 70 H SER 70 -5.215 1.431 6.590 532 HA SER 70 HA SER 70 -5.722 4.111 7.493 533 1HB SER 70 1HB SER 70 -4.294 1.739 8.515 534 2HB SER 70 2HB SER 70 -3.772 3.294 9.130 535 HG SER 70 HG SER 70 -5.489 2.392 10.373 536 H VAL 71 H VAL 71 -4.787 4.640 5.127 537 HA VAL 71 HA VAL 71 -1.961 5.392 5.475 538 HB VAL 71 HB VAL 71 -2.823 3.868 3.553 539 1HG1 VAL 71 1HG1 VAL 71 -4.597 5.354 2.802 540 2HG1 VAL 71 2HG1 VAL 71 -3.373 6.630 2.476 541 3HG1 VAL 71 3HG1 VAL 71 -3.361 5.107 1.521 542 1HG2 VAL 71 1HG2 VAL 71 -0.976 6.221 3.024 543 2HG2 VAL 71 2HG2 VAL 71 -0.499 4.651 3.760 544 3HG2 VAL 71 3HG2 VAL 71 -1.058 4.710 2.053 545 H ARG 72 H ARG 72 -5.192 6.531 5.096 546 HA ARG 72 HA ARG 72 -4.436 9.209 5.755 547 1HB ARG 72 1HB ARG 72 -4.331 8.605 3.029 548 2HB ARG 72 2HB ARG 72 -5.860 9.426 3.261 549 1HG ARG 72 1HG ARG 72 -3.407 10.539 4.517 550 2HG ARG 72 2HG ARG 72 -3.686 10.798 2.807 551 1HD ARG 72 1HD ARG 72 -6.023 11.602 3.509 552 2HD ARG 72 2HD ARG 72 -5.360 11.697 5.127 553 HE ARG 72 HE ARG 72 -4.883 13.516 2.930 554 1HH1 ARG 72 1HH2 ARG 72 -3.636 12.326 5.975 555 2HH1 ARG 72 2HH2 ARG 72 -2.567 13.695 6.189 556 1HH2 ARG 72 1HH1 ARG 72 -3.447 15.220 3.211 557 2HH2 ARG 72 2HH1 ARG 72 -2.462 15.303 4.654 558 H VAL 73 H VAL 73 -6.006 9.912 6.964 559 HA VAL 73 HA VAL 73 -8.776 9.594 6.211 560 HB VAL 73 HB VAL 73 -7.690 8.064 8.548 561 1HG1 VAL 73 1HG1 VAL 73 -9.648 9.329 9.335 562 2HG1 VAL 73 2HG1 VAL 73 -10.597 8.705 7.941 563 3HG1 VAL 73 3HG1 VAL 73 -10.014 7.573 9.209 564 1HG2 VAL 73 1HG2 VAL 73 -9.461 7.255 6.214 565 2HG2 VAL 73 2HG2 VAL 73 -7.719 6.853 6.404 566 3HG2 VAL 73 3HG2 VAL 73 -8.928 6.174 7.547 567 H GLN 74 H GLN 74 -7.952 11.910 6.182 568 HA GLN 74 HA GLN 74 -9.201 13.361 8.213 569 1HB GLN 74 1HB GLN 74 -6.787 12.386 9.188 570 2HB GLN 74 2HB GLN 74 -6.441 14.052 8.765 571 1HG GLN 74 1HG GLN 74 -8.195 14.866 10.162 572 2HG GLN 74 2HG GLN 74 -8.866 13.261 10.370 573 1HE2 GLN 74 2HE2 GLN 74 -7.566 11.657 11.531 574 2HE2 GLN 74 1HE2 GLN 74 -6.454 12.195 12.769 575 H GLY 75 H GLY 75 -8.999 13.367 5.407 576 1HA GLY 75 1HA GLY 75 -7.592 15.901 4.861 577 2HA GLY 75 2HA GLY 75 -8.169 14.761 3.661 578 H GLN 76 H GLN 76 -8.623 17.517 3.524 579 HA GLN 76 HA GLN 76 -11.446 17.856 4.316 580 1HB GLN 76 1HB GLN 76 -11.011 20.237 3.538 581 2HB GLN 76 2HB GLN 76 -10.192 19.707 4.996 582 1HG GLN 76 1HG GLN 76 -8.120 19.630 3.965 583 2HG GLN 76 2HG GLN 76 -8.806 19.403 2.370 584 1HE2 GLN 76 2HE2 GLN 76 -8.286 21.060 1.106 585 2HE2 GLN 76 1HE2 GLN 76 -8.331 22.745 1.576 586 H HIS 77 H HIS 77 -12.042 16.206 2.690 587 HA HIS 77 HA HIS 77 -12.269 17.452 0.019 588 1HB HIS 77 1HB HIS 77 -12.245 14.514 0.142 589 2HB HIS 77 2HB HIS 77 -11.605 15.598 -1.078 590 HD1 HIS 77 1HD HIS 77 -9.410 17.123 0.288 591 HD2 HIS 77 2HD HIS 77 -10.308 13.072 1.110 592 HE1 HIS 77 1HE HIS 77 -7.298 16.115 1.359 593 HE2 HIS 77 2HE HIS 77 -7.837 13.639 1.797 594 H GLY 78 H GLY 78 -13.891 15.138 -0.833 595 1HA GLY 78 1HA GLY 78 -16.418 15.909 0.493 596 2HA GLY 78 2HA GLY 78 -16.265 15.244 -1.122 597 HA PRO 79 HA PRO 79 -16.873 11.255 0.492 598 1HB PRO 79 1HB PRO 79 -15.240 9.663 -1.053 599 2HB PRO 79 2HB PRO 79 -16.800 10.285 -1.556 600 1HG PRO 79 1HG PRO 79 -14.110 11.143 -2.393 601 2HG PRO 79 2HG PRO 79 -15.649 11.431 -3.178 602 1HD PRO 79 1HD PRO 79 -14.155 13.261 -1.598 603 2HD PRO 79 2HD PRO 79 -15.742 13.513 -2.297 604 H PHE 80 H PHE 80 -15.264 9.040 0.774 605 HA PHE 80 HA PHE 80 -13.701 9.779 3.100 606 1HB PHE 80 1HB PHE 80 -15.155 7.552 2.162 607 2HB PHE 80 2HB PHE 80 -13.493 7.033 2.361 608 HD1 PHE 80 1HD PHE 80 -12.448 6.892 4.530 609 HD2 PHE 80 2HD PHE 80 -16.470 8.385 4.070 610 HE1 PHE 80 1HE PHE 80 -12.812 6.675 6.985 611 HE2 PHE 80 2HE PHE 80 -16.831 8.169 6.525 612 HZ PHE 80 HZ PHE 80 -15.002 7.313 7.987 613 H GLN 81 H GLN 81 -11.506 10.045 3.153 614 HA GLN 81 HA GLN 81 -9.865 10.266 0.993 615 1HB GLN 81 1HB GLN 81 -9.178 9.162 3.696 616 2HB GLN 81 2HB GLN 81 -7.983 9.578 2.487 617 1HG GLN 81 1HG GLN 81 -8.078 11.536 3.687 618 2HG GLN 81 2HG GLN 81 -9.259 11.856 2.433 619 1HE2 GLN 81 2HE2 GLN 81 -10.212 13.425 3.817 620 2HE2 GLN 81 1HE2 GLN 81 -11.256 12.931 5.131 621 H SER 82 H SER 82 -10.536 7.213 2.726 622 HA SER 82 HA SER 82 -8.951 5.441 1.360 623 1HB SER 82 1HB SER 82 -11.323 5.292 2.926 624 2HB SER 82 2HB SER 82 -11.467 4.208 1.556 625 HG SER 82 HG SER 82 -10.491 3.215 3.362 626 H THR 83 H THR 83 -12.181 6.571 0.327 627 HA THR 83 HA THR 83 -12.576 5.252 -1.990 628 HB THR 83 HB THR 83 -13.710 7.419 -0.893 629 HG1 THR 83 1HG THR 83 -15.039 7.348 -2.753 630 1HG2 THR 83 1HG2 THR 83 -12.127 9.041 -1.916 631 2HG2 THR 83 2HG2 THR 83 -12.561 8.390 -3.534 632 3HG2 THR 83 3HG2 THR 83 -13.802 9.231 -2.541 633 H ARG 84 H ARG 84 -10.461 8.147 -1.765 634 HA ARG 84 HA ARG 84 -9.513 7.669 -4.474 635 1HB ARG 84 1HB ARG 84 -9.932 9.959 -3.148 636 2HB ARG 84 2HB ARG 84 -8.230 9.725 -2.806 637 1HG ARG 84 1HG ARG 84 -8.040 10.828 -4.813 638 2HG ARG 84 2HG ARG 84 -8.170 9.189 -5.416 639 1HD ARG 84 1HD ARG 84 -10.643 9.537 -5.609 640 2HD ARG 84 2HD ARG 84 -10.383 11.221 -5.195 641 HE ARG 84 HE ARG 84 -8.690 10.556 -7.366 642 1HH1 ARG 84 1HH2 ARG 84 -12.090 11.055 -6.703 643 2HH1 ARG 84 2HH2 ARG 84 -12.442 11.533 -8.347 644 1HH2 ARG 84 1HH1 ARG 84 -9.189 11.163 -9.465 645 2HH2 ARG 84 2HH1 ARG 84 -10.832 11.592 -9.882 646 H ILE 85 H ILE 85 -8.223 7.740 -1.196 647 HA ILE 85 HA ILE 85 -5.592 7.245 -1.559 648 HB ILE 85 HB ILE 85 -7.552 6.664 0.491 649 1HG1 ILE 85 1HG1 ILE 85 -6.220 8.617 0.639 650 2HG1 ILE 85 2HG1 ILE 85 -5.741 7.542 1.938 651 1HG2 ILE 85 1HG2 ILE 85 -6.715 4.401 0.282 652 2HG2 ILE 85 2HG2 ILE 85 -5.027 5.008 0.414 653 3HG2 ILE 85 3HG2 ILE 85 -6.145 5.149 1.816 654 1HD1 ILE 85 1HD1 ILE 85 -3.786 6.786 0.623 655 2HD1 ILE 85 2HD1 ILE 85 -4.276 7.890 -0.708 656 3HD1 ILE 85 3HD1 ILE 85 -3.761 8.567 0.875 657 H TYR 86 H TYR 86 -8.141 4.812 -1.572 658 HA TYR 86 HA TYR 86 -6.526 2.591 -2.239 659 1HB TYR 86 1HB TYR 86 -9.404 3.301 -2.323 660 2HB TYR 86 2HB TYR 86 -8.873 1.891 -3.217 661 HD1 TYR 86 1HD TYR 86 -8.867 -0.150 -2.197 662 HD2 TYR 86 2HD TYR 86 -8.567 3.407 0.209 663 HE1 TYR 86 1HE TYR 86 -8.989 -1.515 -0.132 664 HE2 TYR 86 2HE TYR 86 -8.606 2.023 2.269 665 HH TYR 86 HH TYR 86 -8.776 -0.046 3.100 666 H GLN 87 H GLN 87 -8.477 4.845 -4.253 667 HA GLN 87 HA GLN 87 -8.002 3.718 -6.730 668 1HB GLN 87 1HB GLN 87 -8.566 6.432 -5.750 669 2HB GLN 87 2HB GLN 87 -7.931 6.300 -7.378 670 1HG GLN 87 1HG GLN 87 -9.873 5.535 -8.173 671 2HG GLN 87 2HG GLN 87 -10.034 4.374 -6.870 672 1HE2 GLN 87 2HE2 GLN 87 -12.070 4.652 -6.119 673 2HE2 GLN 87 1HE2 GLN 87 -12.745 6.181 -5.600 674 H ILE 88 H ILE 88 -5.655 5.199 -4.674 675 HA ILE 88 HA ILE 88 -3.728 5.384 -6.880 676 HB ILE 88 HB ILE 88 -3.716 6.326 -4.035 677 1HG1 ILE 88 1HG1 ILE 88 -3.850 7.712 -6.701 678 2HG1 ILE 88 2HG1 ILE 88 -5.048 7.733 -5.421 679 1HG2 ILE 88 1HG2 ILE 88 -1.482 5.524 -4.612 680 2HG2 ILE 88 2HG2 ILE 88 -1.521 6.511 -6.114 681 3HG2 ILE 88 3HG2 ILE 88 -1.510 7.319 -4.508 682 1HD1 ILE 88 1HD1 ILE 88 -3.486 8.960 -3.948 683 2HD1 ILE 88 2HD1 ILE 88 -2.257 8.938 -5.261 684 3HD1 ILE 88 3HD1 ILE 88 -3.788 9.856 -5.477 685 H ALA 89 H ALA 89 -4.261 3.745 -3.765 686 HA ALA 89 HA ALA 89 -1.958 2.061 -4.085 687 1HB ALA 89 1HB ALA 89 -2.759 2.692 -1.886 688 2HB ALA 89 2HB ALA 89 -4.341 1.908 -2.228 689 3HB ALA 89 3HB ALA 89 -2.854 0.909 -2.094 690 H LYS 90 H LYS 90 -4.631 2.132 -5.884 691 HA LYS 90 HA LYS 90 -5.213 -0.702 -5.976 692 1HB LYS 90 1HB LYS 90 -6.905 -0.135 -7.533 693 2HB LYS 90 2HB LYS 90 -6.964 1.033 -6.228 694 1HG LYS 90 1HG LYS 90 -7.073 2.495 -7.928 695 2HG LYS 90 2HG LYS 90 -5.332 2.318 -7.902 696 1HD LYS 90 1HD LYS 90 -5.284 1.129 -9.826 697 2HD LYS 90 2HD LYS 90 -6.832 0.371 -9.521 698 1HE LYS 90 1HE LYS 90 -6.663 2.037 -11.465 699 2HE LYS 90 2HE LYS 90 -8.025 2.184 -10.372 700 1HZ LYS 90 1HZ LYS 90 -6.847 3.896 -9.212 701 2HZ LYS 90 2HZ LYS 90 -5.561 3.757 -10.246 702 3HZ LYS 90 3HZ LYS 90 -7.022 4.293 -10.811 703 H ASN 91 H ASN 91 -3.478 1.759 -7.801 704 HA ASN 91 HA ASN 91 -2.670 -0.195 -9.809 705 1HB ASN 91 1HB ASN 91 -2.605 2.716 -9.500 706 2HB ASN 91 2HB ASN 91 -1.210 2.032 -10.308 707 1HD2 ASN 91 2HD2 ASN 91 -4.334 3.131 -10.644 708 2HD2 ASN 91 1HD2 ASN 91 -4.690 2.473 -12.225 709 H LEU 92 H LEU 92 -1.893 -0.370 -6.864 710 HA LEU 92 HA LEU 92 0.964 0.111 -6.874 711 1HB LEU 92 1HB LEU 92 -1.083 -0.586 -4.966 712 2HB LEU 92 2HB LEU 92 0.352 -1.570 -4.756 713 HG LEU 92 HG LEU 92 0.572 1.380 -4.995 714 1HD1 LEU 92 1HD1 LEU 92 -1.119 1.006 -3.260 715 2HD1 LEU 92 2HD1 LEU 92 -0.024 -0.167 -2.453 716 3HD1 LEU 92 3HD1 LEU 92 0.427 1.571 -2.536 717 1HD2 LEU 92 1HD2 LEU 92 2.214 -0.739 -3.582 718 2HD2 LEU 92 2HD2 LEU 92 2.617 0.047 -5.148 719 3HD2 LEU 92 3HD2 LEU 92 2.592 1.017 -3.634 720 HA PRO 93 HA PRO 93 1.229 -4.579 -7.216 721 1HB PRO 93 1HB PRO 93 -1.072 -6.066 -7.408 722 2HB PRO 93 2HB PRO 93 -0.218 -5.750 -5.911 723 1HG PRO 93 1HG PRO 93 -2.776 -4.657 -6.841 724 2HG PRO 93 2HG PRO 93 -2.119 -4.693 -5.218 725 1HD PRO 93 1HD PRO 93 -2.149 -2.499 -7.022 726 2HD PRO 93 2HD PRO 93 -1.423 -2.560 -5.428 727 H ASN 94 H ASN 94 -1.125 -2.822 -9.042 728 HA ASN 94 HA ASN 94 -1.154 -4.462 -11.385 729 1HB ASN 94 1HB ASN 94 -1.737 -1.572 -10.840 730 2HB ASN 94 2HB ASN 94 -1.816 -2.235 -12.461 731 1HD2 ASN 94 2HD2 ASN 94 -2.915 -2.923 -9.150 732 2HD2 ASN 94 1HD2 ASN 94 -4.484 -3.542 -9.611 733 H VAL 95 H VAL 95 1.080 -2.185 -10.053 734 HA VAL 95 HA VAL 95 2.665 -2.214 -12.553 735 HB VAL 95 HB VAL 95 2.855 -0.222 -10.321 736 1HG1 VAL 95 1HG1 VAL 95 4.873 -0.413 -11.710 737 2HG1 VAL 95 2HG1 VAL 95 3.869 -0.180 -13.184 738 3HG1 VAL 95 3HG1 VAL 95 4.042 1.155 -11.991 739 1HG2 VAL 95 1HG2 VAL 95 1.344 0.030 -12.950 740 2HG2 VAL 95 2HG2 VAL 95 0.603 -0.073 -11.317 741 3HG2 VAL 95 3HG2 VAL 95 1.603 1.353 -11.761 742 H CYS 96 H CYS 96 2.415 -3.471 -9.476 743 HA CYS 96 HA CYS 96 5.259 -4.237 -9.518 744 1HB CYS 96 1HB CYS 96 3.798 -2.876 -7.436 745 2HB CYS 96 2HB CYS 96 4.459 -4.396 -6.867 746 H ASN 97 H ASN 97 3.268 -5.647 -10.878 747 HA ASN 97 HA ASN 97 1.715 -7.531 -9.857 748 1HB ASN 97 1HB ASN 97 3.812 -7.710 -11.944 749 2HB ASN 97 2HB ASN 97 3.042 -9.197 -11.428 750 1HD2 ASN 97 2HD2 ASN 97 2.367 -5.920 -12.575 751 2HD2 ASN 97 1HD2 ASN 97 0.865 -6.316 -13.381 752 H MET 98 H MET 98 1.782 -8.617 -8.047 753 HA MET 98 HA MET 98 4.181 -10.128 -7.378 754 1HB MET 98 1HB MET 98 4.075 -9.354 -5.016 755 2HB MET 98 2HB MET 98 4.631 -8.160 -6.172 756 1HG MET 98 1HG MET 98 1.911 -7.790 -6.150 757 2HG MET 98 2HG MET 98 2.275 -8.149 -4.474 758 1HE MET 98 1HE MET 98 0.975 -5.454 -5.069 759 2HE MET 98 2HE MET 98 1.623 -5.903 -3.454 760 3HE MET 98 3HE MET 98 2.052 -4.318 -4.185 761 H LYS 99 H LYS 99 1.302 -10.502 -8.240 762 HA LYS 99 HA LYS 99 0.802 -12.685 -6.374 763 1HB LYS 99 1HB LYS 99 -1.497 -12.060 -6.025 764 2HB LYS 99 2HB LYS 99 -0.413 -10.821 -5.423 765 1HG LYS 99 1HG LYS 99 -1.476 -10.489 -8.167 766 2HG LYS 99 2HG LYS 99 -2.584 -10.244 -6.831 767 1HD LYS 99 1HD LYS 99 -1.782 -8.196 -6.549 768 2HD LYS 99 2HD LYS 99 -0.194 -8.863 -6.226 769 1HE LYS 99 1HE LYS 99 0.200 -7.477 -8.073 770 2HE LYS 99 2HE LYS 99 -0.001 -9.054 -8.810 771 1HZ LYS 99 1HZ LYS 99 -2.274 -8.500 -9.265 772 2HZ LYS 99 2HZ LYS 99 -2.085 -7.009 -8.568 773 3HZ LYS 99 3HZ LYS 99 -1.261 -7.387 -9.953 774 H GLN 100 H GLN 100 1.821 -13.388 -8.565 775 HA GLN 100 HA GLN 100 0.562 -13.349 -10.980 776 1HB GLN 100 1HB GLN 100 2.620 -14.675 -10.185 777 2HB GLN 100 2HB GLN 100 1.480 -15.963 -9.849 778 1HG GLN 100 1HG GLN 100 1.111 -14.752 -12.485 779 2HG GLN 100 2HG GLN 100 2.682 -15.503 -12.283 780 1HE2 GLN 100 2HE2 GLN 100 2.817 -17.749 -11.796 781 2HE2 GLN 100 1HE2 GLN 100 1.479 -18.824 -12.138 782 H ILE 101 H ILE 101 -0.491 -15.232 -8.173 783 HA ILE 101 HA ILE 101 -2.674 -16.503 -9.409 784 HB ILE 101 HB ILE 101 -1.650 -17.118 -7.285 785 1HG1 ILE 101 1HG1 ILE 101 -4.259 -17.050 -6.251 786 2HG1 ILE 101 2HG1 ILE 101 -4.407 -17.118 -7.996 787 1HG2 ILE 101 1HG2 ILE 101 -1.362 -14.940 -6.230 788 2HG2 ILE 101 2HG2 ILE 101 -3.148 -14.748 -6.136 789 3HG2 ILE 101 3HG2 ILE 101 -2.330 -16.033 -5.181 790 1HD1 ILE 101 1HD1 ILE 101 -2.884 -19.065 -8.073 791 2HD1 ILE 101 2HD1 ILE 101 -2.732 -18.997 -6.283 792 3HD1 ILE 101 3HD1 ILE 101 -4.315 -19.394 -7.036 793 H GLY 102 H GLY 102 -2.753 -13.543 -7.388 794 1HA GLY 102 1HA GLY 102 -3.942 -11.597 -8.225 795 2HA GLY 102 2HA GLY 102 -5.163 -12.676 -8.871 796 H THR 103 H THR 103 -3.661 -11.507 -5.923 797 HA THR 103 HA THR 103 -5.711 -12.646 -4.198 798 HB THR 103 HB THR 103 -4.082 -10.836 -2.790 799 HG1 THR 103 1HG THR 103 -2.013 -11.590 -3.447 800 1HG2 THR 103 1HG2 THR 103 -4.867 -13.014 -1.944 801 2HG2 THR 103 2HG2 THR 103 -3.794 -13.837 -3.128 802 3HG2 THR 103 3HG2 THR 103 -3.084 -12.852 -1.803 803 H CYS 104 H CYS 104 -4.529 -9.347 -4.980 804 HA CYS 104 HA CYS 104 -7.318 -8.422 -4.667 805 1HB CYS 104 1HB CYS 104 -6.609 -6.418 -3.666 806 2HB CYS 104 2HB CYS 104 -5.864 -7.741 -2.791 807 HA PRO 105 HA PRO 105 -5.665 -7.462 -8.834 808 1HB PRO 105 1HB PRO 105 -7.652 -8.684 -10.282 809 2HB PRO 105 2HB PRO 105 -6.111 -9.419 -9.894 810 1HG PRO 105 1HG PRO 105 -8.764 -9.995 -8.764 811 2HG PRO 105 2HG PRO 105 -7.311 -10.968 -8.701 812 1HD PRO 105 1HD PRO 105 -8.388 -9.326 -6.635 813 2HD PRO 105 2HD PRO 105 -6.900 -10.251 -6.594 814 H PHE 106 H PHE 106 -8.151 -6.665 -6.877 815 HA PHE 106 HA PHE 106 -10.095 -5.328 -8.288 816 1HB PHE 106 1HB PHE 106 -10.559 -4.382 -6.280 817 2HB PHE 106 2HB PHE 106 -9.404 -5.569 -5.708 818 HD1 PHE 106 1HD PHE 106 -7.200 -4.888 -4.866 819 HD2 PHE 106 2HD PHE 106 -9.909 -2.015 -6.537 820 HE1 PHE 106 1HE PHE 106 -5.817 -3.037 -3.950 821 HE2 PHE 106 2HE PHE 106 -8.544 -0.179 -5.623 822 HZ PHE 106 HZ PHE 106 -6.511 -0.672 -4.287 823 H ILE 107 H ILE 107 -10.355 -2.973 -8.551 824 HA ILE 107 HA ILE 107 -8.330 -1.101 -8.735 825 HB ILE 107 HB ILE 107 -8.254 -1.217 -11.393 826 1HG1 ILE 107 1HG1 ILE 107 -7.787 -4.093 -10.949 827 2HG1 ILE 107 2HG1 ILE 107 -9.464 -3.582 -10.993 828 1HG2 ILE 107 1HG2 ILE 107 -6.315 -0.918 -9.940 829 2HG2 ILE 107 2HG2 ILE 107 -6.353 -2.667 -9.521 830 3HG2 ILE 107 3HG2 ILE 107 -5.967 -2.154 -11.201 831 1HD1 ILE 107 1HD1 ILE 107 -9.111 -2.538 -13.175 832 2HD1 ILE 107 2HD1 ILE 107 -7.392 -3.061 -13.129 833 3HD1 ILE 107 3HD1 ILE 107 -8.703 -4.288 -13.199 834 H ALA 108 H ALA 108 -11.183 -2.447 -10.319 835 HA ALA 108 HA ALA 108 -12.177 0.074 -11.262 836 1HB ALA 108 1HB ALA 108 -12.771 -2.024 -12.356 837 2HB ALA 108 2HB ALA 108 -13.547 -2.599 -10.839 838 3HB ALA 108 3HB ALA 108 -14.243 -1.203 -11.732 839 H ILE 109 H ILE 109 -11.558 0.927 -9.005 840 HA ILE 109 HA ILE 109 -14.010 0.940 -7.381 841 HB ILE 109 HB ILE 109 -12.918 0.754 -5.374 842 1HG1 ILE 109 1HG1 ILE 109 -11.087 2.310 -5.535 843 2HG1 ILE 109 2HG1 ILE 109 -10.464 0.759 -5.013 844 1HG2 ILE 109 1HG2 ILE 109 -13.032 -1.389 -6.498 845 2HG2 ILE 109 2HG2 ILE 109 -11.438 -1.084 -7.270 846 3HG2 ILE 109 3HG2 ILE 109 -11.548 -1.298 -5.489 847 1HD1 ILE 109 1HD1 ILE 109 -9.742 0.247 -7.317 848 2HD1 ILE 109 2HD1 ILE 109 -10.381 1.839 -7.854 849 3HD1 ILE 109 3HD1 ILE 109 -8.992 1.765 -6.715 Start of MODEL 18 1 1H GLN 1 1H GLN 1 -7.359 -19.588 -0.036 2 2H GLN 1 2H GLN 1 -7.279 -17.936 0.014 3 3H GLN 1 3H GLN 1 -6.633 -18.757 -1.269 4 HA GLN 1 HA GLN 1 -5.039 -19.779 0.140 5 1HB GLN 1 1HB GLN 1 -3.582 -18.071 -0.054 6 2HB GLN 1 2HB GLN 1 -4.902 -17.347 -0.951 7 1HG GLN 1 1HG GLN 1 -5.663 -16.392 1.297 8 2HG GLN 1 2HG GLN 1 -4.072 -16.833 1.882 9 1HE2 GLN 1 2HE2 GLN 1 -4.877 -14.256 2.014 10 2HE2 GLN 1 1HE2 GLN 1 -4.004 -13.290 0.847 11 HA PRO 2 HA PRO 2 -5.530 -19.717 4.465 12 1HB PRO 2 1HB PRO 2 -2.980 -19.369 5.442 13 2HB PRO 2 2HB PRO 2 -3.632 -20.885 4.852 14 1HG PRO 2 1HG PRO 2 -1.685 -19.092 3.586 15 2HG PRO 2 2HG PRO 2 -2.016 -20.778 3.245 16 1HD PRO 2 1HD PRO 2 -2.888 -18.518 1.761 17 2HD PRO 2 2HD PRO 2 -3.302 -20.197 1.479 18 H GLN 3 H GLN 3 -4.816 -18.512 6.596 19 HA GLN 3 HA GLN 3 -5.019 -15.616 5.988 20 1HB GLN 3 1HB GLN 3 -6.903 -17.053 7.255 21 2HB GLN 3 2HB GLN 3 -5.905 -16.583 8.615 22 1HG GLN 3 1HG GLN 3 -6.666 -14.483 8.548 23 2HG GLN 3 2HG GLN 3 -6.331 -14.355 6.834 24 1HE2 GLN 3 2HE2 GLN 3 -8.508 -13.128 8.076 25 2HE2 GLN 3 1HE2 GLN 3 -9.979 -13.856 7.467 26 H LYS 4 H LYS 4 -3.420 -18.126 7.804 27 HA LYS 4 HA LYS 4 -2.164 -16.871 9.852 28 1HB LYS 4 1HB LYS 4 -0.684 -18.613 7.915 29 2HB LYS 4 2HB LYS 4 -0.383 -18.423 9.630 30 1HG LYS 4 1HG LYS 4 -1.662 -20.251 9.909 31 2HG LYS 4 2HG LYS 4 -3.028 -19.216 9.542 32 1HD LYS 4 1HD LYS 4 -3.378 -20.224 7.561 33 2HD LYS 4 2HD LYS 4 -1.679 -20.153 7.140 34 1HE LYS 4 1HE LYS 4 -1.215 -22.212 8.107 35 2HE LYS 4 2HE LYS 4 -2.601 -22.133 9.176 36 1HZ LYS 4 1HZ LYS 4 -4.019 -22.449 7.285 37 2HZ LYS 4 2HZ LYS 4 -2.711 -22.524 6.274 38 3HZ LYS 4 3HZ LYS 4 -2.943 -23.700 7.414 39 H CYS 5 H CYS 5 -1.370 -16.523 6.421 40 HA CYS 5 HA CYS 5 0.802 -14.722 6.800 41 1HB CYS 5 1HB CYS 5 -0.154 -16.012 4.686 42 2HB CYS 5 2HB CYS 5 -0.882 -14.442 4.413 43 H GLN 6 H GLN 6 -2.583 -14.034 5.812 44 HA GLN 6 HA GLN 6 -2.560 -11.306 6.010 45 1HB GLN 6 1HB GLN 6 -4.560 -13.362 6.140 46 2HB GLN 6 2HB GLN 6 -4.979 -11.993 7.150 47 1HG GLN 6 1HG GLN 6 -3.931 -11.046 4.667 48 2HG GLN 6 2HG GLN 6 -5.211 -12.201 4.354 49 1HE2 GLN 6 2HE2 GLN 6 -7.172 -11.935 5.858 50 2HE2 GLN 6 1HE2 GLN 6 -7.756 -10.297 6.046 51 H ARG 7 H ARG 7 -2.913 -13.566 8.698 52 HA ARG 7 HA ARG 7 -2.965 -11.409 10.642 53 1HB ARG 7 1HB ARG 7 -3.735 -14.121 10.613 54 2HB ARG 7 2HB ARG 7 -2.493 -13.950 11.838 55 1HG ARG 7 1HG ARG 7 -3.731 -12.086 12.845 56 2HG ARG 7 2HG ARG 7 -4.965 -12.231 11.609 57 1HD ARG 7 1HD ARG 7 -5.194 -14.670 12.413 58 2HD ARG 7 2HD ARG 7 -4.316 -14.139 13.832 59 HE ARG 7 HE ARG 7 -6.453 -12.334 13.374 60 1HH1 ARG 7 1HH2 ARG 7 -5.959 -15.665 14.369 61 2HH1 ARG 7 2HH2 ARG 7 -7.430 -15.714 15.314 62 1HH2 ARG 7 1HH1 ARG 7 -8.337 -12.422 14.602 63 2HH2 ARG 7 2HH1 ARG 7 -8.763 -13.894 15.445 64 H GLU 8 H GLU 8 -0.582 -11.958 8.843 65 HA GLU 8 HA GLU 8 1.466 -12.186 10.956 66 1HB GLU 8 1HB GLU 8 1.216 -13.653 8.517 67 2HB GLU 8 2HB GLU 8 2.692 -12.708 8.512 68 1HG GLU 8 1HG GLU 8 2.681 -13.738 11.043 69 2HG GLU 8 2HG GLU 8 1.976 -15.045 10.111 70 H PHE 9 H PHE 9 0.104 -10.373 8.379 71 HA PHE 9 HA PHE 9 2.401 -8.665 7.927 72 1HB PHE 9 1HB PHE 9 1.021 -8.713 6.095 73 2HB PHE 9 2HB PHE 9 -0.424 -8.902 7.068 74 HD1 PHE 9 1HD PHE 9 -1.432 -6.872 8.171 75 HD2 PHE 9 2HD PHE 9 1.708 -6.582 5.317 76 HE1 PHE 9 1HE PHE 9 -1.927 -4.467 7.919 77 HE2 PHE 9 2HE PHE 9 1.208 -4.170 5.031 78 HZ PHE 9 HZ PHE 9 -0.604 -3.096 6.329 79 H GLN 10 H GLN 10 -0.760 -8.421 9.590 80 HA GLN 10 HA GLN 10 0.012 -5.827 10.692 81 1HB GLN 10 1HB GLN 10 -2.410 -6.866 9.899 82 2HB GLN 10 2HB GLN 10 -2.493 -6.944 11.647 83 1HG GLN 10 1HG GLN 10 -1.372 -4.444 11.052 84 2HG GLN 10 2HG GLN 10 -2.698 -4.648 9.925 85 1HE2 GLN 10 2HE2 GLN 10 -4.496 -3.734 10.618 86 2HE2 GLN 10 1HE2 GLN 10 -5.057 -3.699 12.274 87 H GLN 11 H GLN 11 0.098 -9.130 11.490 88 HA GLN 11 HA GLN 11 -0.303 -9.322 14.175 89 1HB GLN 11 1HB GLN 11 0.808 -10.925 12.335 90 2HB GLN 11 2HB GLN 11 2.225 -10.504 13.275 91 1HG GLN 11 1HG GLN 11 0.070 -11.064 15.057 92 2HG GLN 11 2HG GLN 11 0.207 -12.380 13.908 93 1HE2 GLN 11 2HE2 GLN 11 0.734 -13.564 15.962 94 2HE2 GLN 11 1HE2 GLN 11 2.409 -13.572 16.466 95 H GLU 12 H GLU 12 2.726 -8.248 12.654 96 HA GLU 12 HA GLU 12 3.296 -6.255 14.515 97 1HB GLU 12 1HB GLU 12 5.179 -7.349 15.772 98 2HB GLU 12 2HB GLU 12 3.557 -7.767 16.281 99 1HG GLU 12 1HG GLU 12 4.169 -9.901 16.080 100 2HG GLU 12 2HG GLU 12 4.144 -9.648 14.347 101 H GLN 13 H GLN 13 3.425 -6.426 11.822 102 HA GLN 13 HA GLN 13 5.973 -5.446 11.233 103 1HB GLN 13 1HB GLN 13 6.827 -7.313 9.774 104 2HB GLN 13 2HB GLN 13 6.967 -7.577 11.501 105 1HG GLN 13 1HG GLN 13 4.965 -8.976 11.474 106 2HG GLN 13 2HG GLN 13 4.756 -8.672 9.761 107 1HE2 GLN 13 2HE2 GLN 13 7.045 -8.997 8.570 108 2HE2 GLN 13 1HE2 GLN 13 7.775 -10.555 8.888 109 H HIS 14 H HIS 14 3.931 -4.221 10.583 110 HA HIS 14 HA HIS 14 2.448 -5.063 8.309 111 1HB HIS 14 1HB HIS 14 2.913 -2.199 8.962 112 2HB HIS 14 2HB HIS 14 1.477 -2.964 8.314 113 HD1 HIS 14 1HD HIS 14 1.067 -1.090 10.662 114 HD2 HIS 14 2HD HIS 14 1.953 -5.182 11.068 115 HE1 HIS 14 1HE HIS 14 0.236 -1.797 12.986 116 HE2 HIS 14 2HE HIS 14 0.753 -4.308 13.204 117 H LEU 15 H LEU 15 2.912 -2.417 6.893 118 HA LEU 15 HA LEU 15 5.365 -3.290 5.479 119 1HB LEU 15 1HB LEU 15 2.747 -2.322 4.448 120 2HB LEU 15 2HB LEU 15 4.204 -2.151 3.490 121 HG LEU 15 HG LEU 15 2.541 -4.224 3.316 122 1HD1 LEU 15 1HD1 LEU 15 4.322 -3.758 1.760 123 2HD1 LEU 15 2HD1 LEU 15 5.525 -4.366 2.948 124 3HD1 LEU 15 3HD1 LEU 15 4.322 -5.494 2.231 125 1HD2 LEU 15 1HD2 LEU 15 4.652 -5.142 5.252 126 2HD2 LEU 15 2HD2 LEU 15 2.886 -5.026 5.561 127 3HD2 LEU 15 3HD2 LEU 15 3.512 -6.202 4.354 128 H ARG 16 H ARG 16 6.303 -1.439 4.133 129 HA ARG 16 HA ARG 16 6.154 1.082 5.690 130 1HB ARG 16 1HB ARG 16 8.631 -0.385 4.844 131 2HB ARG 16 2HB ARG 16 8.624 1.295 5.345 132 1HG ARG 16 1HG ARG 16 7.209 -0.241 7.280 133 2HG ARG 16 2HG ARG 16 8.755 -1.008 6.977 134 1HD ARG 16 1HD ARG 16 9.017 1.872 7.198 135 2HD ARG 16 2HD ARG 16 8.299 1.177 8.637 136 HE ARG 16 HE ARG 16 11.040 0.965 7.825 137 1HH1 ARG 16 1HH2 ARG 16 8.468 -0.845 9.380 138 2HH1 ARG 16 2HH2 ARG 16 9.573 -1.868 10.271 139 1HH2 ARG 16 1HH1 ARG 16 12.446 -0.376 8.975 140 2HH2 ARG 16 2HH1 ARG 16 11.804 -1.605 10.043 141 H ALA 17 H ALA 17 8.278 0.100 3.021 142 HA ALA 17 HA ALA 17 7.959 2.385 1.533 143 1HB ALA 17 1HB ALA 17 9.663 0.699 1.119 144 2HB ALA 17 2HB ALA 17 8.393 -0.451 0.571 145 3HB ALA 17 3HB ALA 17 8.729 1.036 -0.381 146 H CYS 18 H CYS 18 5.703 -0.222 1.928 147 HA CYS 18 HA CYS 18 4.012 0.610 -0.256 148 1HB CYS 18 1HB CYS 18 3.304 -1.175 2.015 149 2HB CYS 18 2HB CYS 18 2.561 -1.092 0.430 150 H GLN 19 H GLN 19 3.725 0.669 3.303 151 HA GLN 19 HA GLN 19 1.576 2.613 3.140 152 1HB GLN 19 1HB GLN 19 2.848 1.005 5.266 153 2HB GLN 19 2HB GLN 19 2.037 2.483 5.740 154 1HG GLN 19 1HG GLN 19 0.577 0.814 3.840 155 2HG GLN 19 2HG GLN 19 0.803 0.111 5.430 156 1HE2 GLN 19 2HE2 GLN 19 0.251 3.401 4.246 157 2HE2 GLN 19 1HE2 GLN 19 -1.141 3.731 5.251 158 H GLN 20 H GLN 20 4.113 3.469 2.030 159 HA GLN 20 HA GLN 20 4.545 5.826 3.743 160 1HB GLN 20 1HB GLN 20 6.758 4.143 2.613 161 2HB GLN 20 2HB GLN 20 6.967 5.722 3.344 162 1HG GLN 20 1HG GLN 20 5.485 3.874 5.024 163 2HG GLN 20 2HG GLN 20 7.103 3.318 4.651 164 1HE2 GLN 20 2HE2 GLN 20 8.446 3.724 6.187 165 2HE2 GLN 20 1HE2 GLN 20 8.504 5.191 7.140 166 H TRP 21 H TRP 21 5.078 4.210 0.621 167 HA TRP 21 HA TRP 21 5.744 6.548 -0.829 168 1HB TRP 21 1HB TRP 21 5.497 5.277 -2.727 169 2HB TRP 21 2HB TRP 21 5.876 4.085 -1.501 170 HD1 TRP 21 HD TRP 21 4.100 2.166 -1.126 171 HE1 TRP 21 1HE TRP 21 1.860 1.529 -2.202 172 HE3 TRP 21 3HE TRP 21 3.425 6.404 -3.819 173 HZ2 TRP 21 2HZ TRP 21 0.006 2.754 -4.016 174 HZ3 TRP 21 3HZ TRP 21 1.380 6.651 -5.209 175 HH2 TRP 21 HH TRP 21 -0.304 4.852 -5.294 176 H ILE 22 H ILE 22 2.715 5.180 0.249 177 HA ILE 22 HA ILE 22 1.086 6.985 -1.322 178 HB ILE 22 HB ILE 22 0.269 5.322 1.023 179 1HG1 ILE 22 1HG1 ILE 22 0.112 4.468 -1.826 180 2HG1 ILE 22 2HG1 ILE 22 1.453 4.045 -0.780 181 1HG2 ILE 22 1HG2 ILE 22 -1.368 7.004 0.378 182 2HG2 ILE 22 2HG2 ILE 22 -1.301 6.420 -1.321 183 3HG2 ILE 22 3HG2 ILE 22 -1.957 5.356 -0.029 184 1HD1 ILE 22 1HD1 ILE 22 -0.084 2.908 0.769 185 2HD1 ILE 22 2HD1 ILE 22 -1.459 3.341 -0.305 186 3HD1 ILE 22 3HD1 ILE 22 -0.181 2.220 -0.890 187 H ARG 23 H ARG 23 2.535 6.876 1.864 188 HA ARG 23 HA ARG 23 1.132 9.053 3.012 189 1HB ARG 23 1HB ARG 23 3.472 7.483 3.638 190 2HB ARG 23 2HB ARG 23 3.671 9.170 4.072 191 1HG ARG 23 1HG ARG 23 2.720 7.859 5.914 192 2HG ARG 23 2HG ARG 23 1.617 9.104 5.363 193 1HD ARG 23 1HD ARG 23 0.329 7.488 4.124 194 2HD ARG 23 2HD ARG 23 1.489 6.228 4.487 195 HE ARG 23 HE ARG 23 -0.660 7.136 6.179 196 1HH1 ARG 23 1HH2 ARG 23 2.594 5.823 6.254 197 2HH1 ARG 23 2HH2 ARG 23 2.391 5.133 7.848 198 1HH2 ARG 23 1HH1 ARG 23 -0.885 6.240 8.226 199 2HH2 ARG 23 2HH1 ARG 23 0.445 5.366 8.952 200 H GLN 24 H GLN 24 3.652 8.925 0.643 201 HA GLN 24 HA GLN 24 4.475 11.661 0.995 202 1HB GLN 24 1HB GLN 24 5.523 9.475 -0.259 203 2HB GLN 24 2HB GLN 24 4.978 10.455 -1.606 204 1HG GLN 24 1HG GLN 24 7.277 11.010 -1.019 205 2HG GLN 24 2HG GLN 24 6.216 12.369 -0.712 206 1HE2 GLN 24 2HE2 GLN 24 8.538 12.532 0.482 207 2HE2 GLN 24 1HE2 GLN 24 8.467 12.119 2.179 208 H GLN 25 H GLN 25 1.962 10.004 -0.717 209 HA GLN 25 HA GLN 25 1.388 12.013 -2.628 210 1HB GLN 25 1HB GLN 25 0.328 9.519 -1.886 211 2HB GLN 25 2HB GLN 25 -0.993 10.668 -1.789 212 1HG GLN 25 1HG GLN 25 0.809 10.699 -4.167 213 2HG GLN 25 2HG GLN 25 -0.456 9.491 -4.059 214 1HE2 GLN 25 2HE2 GLN 25 0.067 13.010 -3.740 215 2HE2 GLN 25 1HE2 GLN 25 -1.468 13.469 -4.443 216 H LEU 26 H LEU 26 1.168 12.098 0.731 217 HA LEU 26 HA LEU 26 -0.769 14.312 0.584 218 1HB LEU 26 1HB LEU 26 -0.266 12.886 3.124 219 2HB LEU 26 2HB LEU 26 -1.709 13.710 2.567 220 HG LEU 26 HG LEU 26 -1.590 11.642 0.828 221 1HD1 LEU 26 1HD1 LEU 26 0.333 10.630 1.933 222 2HD1 LEU 26 2HD1 LEU 26 -0.578 10.605 3.484 223 3HD1 LEU 26 3HD1 LEU 26 -1.126 9.592 2.101 224 1HD2 LEU 26 1HD2 LEU 26 -2.914 11.622 3.552 225 2HD2 LEU 26 2HD2 LEU 26 -3.581 12.359 2.053 226 3HD2 LEU 26 3HD2 LEU 26 -3.361 10.578 2.158 227 H ALA 27 H ALA 27 -0.420 16.062 2.073 228 HA ALA 27 HA ALA 27 2.263 16.997 1.997 229 1HB ALA 27 1HB ALA 27 0.325 18.511 2.007 230 2HB ALA 27 2HB ALA 27 -0.100 17.943 3.659 231 3HB ALA 27 3HB ALA 27 1.421 18.864 3.387 232 H GLY 28 H GLY 28 0.710 14.791 4.082 233 1HA GLY 28 1HA GLY 28 1.671 15.036 6.581 234 2HA GLY 28 2HA GLY 28 1.703 13.509 5.721 235 H SER 29 H SER 29 3.646 14.183 3.748 236 HA SER 29 HA SER 29 6.055 14.003 5.310 237 1HB SER 29 1HB SER 29 6.000 12.686 3.398 238 2HB SER 29 2HB SER 29 5.488 14.025 2.392 239 HG SER 29 HG SER 29 7.733 13.575 2.175 240 HA PRO 30 HA PRO 30 6.989 18.267 5.349 241 1HB PRO 30 1HB PRO 30 9.578 18.061 6.295 242 2HB PRO 30 2HB PRO 30 8.142 18.064 7.300 243 1HG PRO 30 1HG PRO 30 9.899 15.820 6.600 244 2HG PRO 30 2HG PRO 30 8.731 15.941 7.901 245 1HD PRO 30 1HD PRO 30 8.427 14.555 5.435 246 2HD PRO 30 2HD PRO 30 7.224 14.758 6.693 247 H PHE 31 H PHE 31 8.511 19.815 4.429 248 HA PHE 31 HA PHE 31 10.479 19.103 2.526 249 1HB PHE 31 1HB PHE 31 8.971 19.806 0.512 250 2HB PHE 31 2HB PHE 31 8.966 18.147 1.075 251 HD1 PHE 31 1HD PHE 31 6.897 17.134 1.138 252 HD2 PHE 31 2HD PHE 31 7.182 21.331 1.979 253 HE1 PHE 31 1HE PHE 31 4.426 17.260 1.390 254 HE2 PHE 31 2HE PHE 31 4.731 21.426 2.344 255 HZ PHE 31 HZ PHE 31 3.353 19.377 2.102 256 H SER 32 H SER 32 10.591 20.986 0.750 257 HA SER 32 HA SER 32 9.942 23.532 2.110 258 1HB SER 32 1HB SER 32 12.500 22.504 1.797 259 2HB SER 32 2HB SER 32 12.346 23.693 0.520 260 HG SER 32 HG SER 32 13.107 24.609 2.483 261 H GLU 33 H GLU 33 8.577 21.990 -0.048 262 HA GLU 33 HA GLU 33 8.075 24.208 -1.772 263 1HB GLU 33 1HB GLU 33 10.284 22.708 -2.540 264 2HB GLU 33 2HB GLU 33 8.983 22.125 -3.557 265 1HG GLU 33 1HG GLU 33 10.026 23.964 -4.684 266 2HG GLU 33 2HG GLU 33 8.454 24.499 -4.122 267 H ASN 34 H ASN 34 8.142 20.739 -2.463 268 HA ASN 34 HA ASN 34 5.678 19.882 -1.707 269 1HB ASN 34 1HB ASN 34 5.349 21.872 -3.754 270 2HB ASN 34 2HB ASN 34 4.813 20.313 -4.347 271 1HD2 ASN 34 2HD2 ASN 34 3.219 22.655 -3.772 272 2HD2 ASN 34 1HD2 ASN 34 2.053 22.166 -2.563 273 H GLN 35 H GLN 35 4.836 18.053 -3.043 274 HA GLN 35 HA GLN 35 6.258 17.048 -5.260 275 1HB GLN 35 1HB GLN 35 7.722 15.472 -4.389 276 2HB GLN 35 2HB GLN 35 7.975 16.865 -3.357 277 1HG GLN 35 1HG GLN 35 6.261 15.811 -1.795 278 2HG GLN 35 2HG GLN 35 6.462 14.353 -2.747 279 1HE2 GLN 35 2HE2 GLN 35 7.892 12.942 -2.050 280 2HE2 GLN 35 1HE2 GLN 35 9.287 13.313 -1.063 281 H TRP 36 H TRP 36 5.966 14.400 -5.124 282 HA TRP 36 HA TRP 36 3.218 13.929 -4.125 283 1HB TRP 36 1HB TRP 36 2.997 14.186 -6.450 284 2HB TRP 36 2HB TRP 36 4.438 13.241 -6.761 285 HD1 TRP 36 HD TRP 36 3.961 10.504 -5.552 286 HE1 TRP 36 1HE TRP 36 1.981 8.984 -6.157 287 HE3 TRP 36 3HE TRP 36 0.851 14.078 -7.411 288 HZ2 TRP 36 2HZ TRP 36 -0.620 9.285 -7.294 289 HZ3 TRP 36 3HZ TRP 36 -1.385 13.414 -8.264 290 HH2 TRP 36 HH TRP 36 -2.126 11.055 -8.210 291 H GLY 37 H GLY 37 6.235 12.390 -5.287 292 1HA GLY 37 1HA GLY 37 6.451 10.706 -2.981 293 2HA GLY 37 2HA GLY 37 5.799 9.817 -4.342 294 HA PRO 38 HA PRO 38 9.774 9.502 -6.061 295 1HB PRO 38 1HB PRO 38 9.414 9.926 -8.760 296 2HB PRO 38 2HB PRO 38 9.044 8.433 -7.924 297 1HG PRO 38 1HG PRO 38 7.205 10.480 -8.951 298 2HG PRO 38 2HG PRO 38 6.871 8.815 -8.521 299 1HD PRO 38 1HD PRO 38 6.274 11.136 -6.988 300 2HD PRO 38 2HD PRO 38 6.045 9.468 -6.510 301 H GLN 39 H GLN 39 9.719 11.801 -4.792 302 HA GLN 39 HA GLN 39 11.263 13.572 -6.564 303 1HB GLN 39 1HB GLN 39 8.715 14.184 -5.760 304 2HB GLN 39 2HB GLN 39 9.713 15.018 -4.589 305 1HG GLN 39 1HG GLN 39 9.692 15.332 -7.573 306 2HG GLN 39 2HG GLN 39 9.413 16.556 -6.351 307 1HE2 GLN 39 2HE2 GLN 39 11.676 15.061 -8.387 308 2HE2 GLN 39 1HE2 GLN 39 13.132 15.789 -7.749 309 H GLN 40 H GLN 40 10.315 12.774 -3.245 310 HA GLN 40 HA GLN 40 13.068 13.503 -2.411 311 1HB GLN 40 1HB GLN 40 10.717 14.591 -1.472 312 2HB GLN 40 2HB GLN 40 11.149 13.408 -0.255 313 1HG GLN 40 1HG GLN 40 12.252 15.307 0.480 314 2HG GLN 40 2HG GLN 40 13.504 14.464 -0.409 315 1HE2 GLN 40 2HE2 GLN 40 14.339 15.314 -2.271 316 2HE2 GLN 40 1HE2 GLN 40 13.929 16.905 -2.871 317 H GLY 41 H GLY 41 10.909 11.007 -2.896 318 1HA GLY 41 1HA GLY 41 12.709 9.128 -1.583 319 2HA GLY 41 2HA GLY 41 11.084 9.168 -0.932 320 HA PRO 42 HA PRO 42 10.450 7.732 -5.386 321 1HB PRO 42 1HB PRO 42 12.624 7.565 -7.080 322 2HB PRO 42 2HB PRO 42 11.506 8.913 -7.016 323 1HG PRO 42 1HG PRO 42 14.262 8.755 -6.029 324 2HG PRO 42 2HG PRO 42 13.286 10.174 -6.340 325 1HD PRO 42 1HD PRO 42 13.873 8.996 -3.812 326 2HD PRO 42 2HD PRO 42 12.842 10.377 -4.130 327 H SER 43 H SER 43 12.643 6.694 -3.197 328 HA SER 43 HA SER 43 13.012 4.040 -4.425 329 1HB SER 43 1HB SER 43 14.267 4.817 -1.850 330 2HB SER 43 2HB SER 43 14.855 3.733 -3.094 331 HG SER 43 HG SER 43 16.013 5.715 -3.041 332 H LEU 44 H LEU 44 10.581 3.924 -4.051 333 HA LEU 44 HA LEU 44 10.198 2.593 -1.448 334 1HB LEU 44 1HB LEU 44 8.671 4.873 -2.561 335 2HB LEU 44 2HB LEU 44 7.800 3.636 -1.676 336 HG LEU 44 HG LEU 44 10.037 4.307 -0.122 337 1HD1 LEU 44 1HD1 LEU 44 10.266 6.372 -1.396 338 2HD1 LEU 44 2HD1 LEU 44 8.539 6.755 -1.074 339 3HD1 LEU 44 3HD1 LEU 44 9.717 6.703 0.283 340 1HD2 LEU 44 1HD2 LEU 44 7.139 5.097 0.206 341 2HD2 LEU 44 2HD2 LEU 44 7.890 3.558 0.757 342 3HD2 LEU 44 3HD2 LEU 44 8.391 5.119 1.496 343 H ARG 45 H ARG 45 9.055 3.185 -4.784 344 HA ARG 45 HA ARG 45 7.281 0.972 -4.866 345 1HB ARG 45 1HB ARG 45 8.845 2.266 -7.087 346 2HB ARG 45 2HB ARG 45 7.483 1.182 -7.301 347 1HG ARG 45 1HG ARG 45 7.503 3.963 -6.183 348 2HG ARG 45 2HG ARG 45 6.545 3.323 -7.502 349 1HD ARG 45 1HD ARG 45 5.560 1.766 -5.622 350 2HD ARG 45 2HD ARG 45 6.136 3.035 -4.560 351 HE ARG 45 HE ARG 45 4.396 4.371 -5.254 352 1HH1 ARG 45 1HH2 ARG 45 4.884 1.828 -7.629 353 2HH1 ARG 45 2HH2 ARG 45 3.490 2.297 -8.577 354 1HH2 ARG 45 1HH1 ARG 45 2.620 4.956 -6.492 355 2HH2 ARG 45 2HH1 ARG 45 2.219 4.054 -7.937 356 H GLU 46 H GLU 46 10.733 1.295 -5.607 357 HA GLU 46 HA GLU 46 10.970 -1.442 -6.483 358 1HB GLU 46 1HB GLU 46 12.822 0.817 -5.961 359 2HB GLU 46 2HB GLU 46 13.490 -0.801 -6.001 360 1HG GLU 46 1HG GLU 46 12.323 -1.112 -8.222 361 2HG GLU 46 2HG GLU 46 11.964 0.602 -8.187 362 H GLN 47 H GLN 47 11.257 0.268 -3.440 363 HA GLN 47 HA GLN 47 12.518 -1.935 -2.065 364 1HB GLN 47 1HB GLN 47 11.673 0.780 -1.422 365 2HB GLN 47 2HB GLN 47 11.439 -0.364 -0.115 366 1HG GLN 47 1HG GLN 47 13.847 -1.124 -0.600 367 2HG GLN 47 2HG GLN 47 13.992 0.357 -1.526 368 1HE2 GLN 47 2HE2 GLN 47 12.441 -0.532 1.574 369 2HE2 GLN 47 1HE2 GLN 47 13.197 0.729 2.522 370 H CYS 48 H CYS 48 9.249 -0.496 -2.024 371 HA CYS 48 HA CYS 48 8.057 -2.442 -0.367 372 1HB CYS 48 1HB CYS 48 6.872 -0.434 -0.669 373 2HB CYS 48 2HB CYS 48 6.954 -0.568 -2.414 374 H CYS 49 H CYS 49 8.656 -2.265 -3.888 375 HA CYS 49 HA CYS 49 7.152 -4.564 -4.535 376 1HB CYS 49 1HB CYS 49 9.385 -3.085 -5.775 377 2HB CYS 49 2HB CYS 49 9.025 -4.691 -6.375 378 H ASN 50 H ASN 50 10.016 -4.216 -2.730 379 HA ASN 50 HA ASN 50 10.572 -7.117 -2.898 380 1HB ASN 50 1HB ASN 50 12.223 -4.725 -2.644 381 2HB ASN 50 2HB ASN 50 12.617 -5.968 -1.473 382 1HD2 ASN 50 2HD2 ASN 50 11.554 -5.936 -4.874 383 2HD2 ASN 50 1HD2 ASN 50 12.827 -6.975 -5.471 384 H GLU 51 H GLU 51 9.287 -4.637 -0.938 385 HA GLU 51 HA GLU 51 9.717 -6.156 1.530 386 1HB GLU 51 1HB GLU 51 10.064 -4.116 2.337 387 2HB GLU 51 2HB GLU 51 9.414 -3.357 0.898 388 1HG GLU 51 1HG GLU 51 8.008 -2.649 2.656 389 2HG GLU 51 2HG GLU 51 7.110 -3.913 1.838 390 H LEU 52 H LEU 52 7.407 -5.625 -0.912 391 HA LEU 52 HA LEU 52 5.182 -6.412 0.819 392 1HB LEU 52 1HB LEU 52 3.826 -5.294 -0.537 393 2HB LEU 52 2HB LEU 52 5.308 -4.496 -1.025 394 HG LEU 52 HG LEU 52 4.239 -4.924 -2.998 395 1HD1 LEU 52 1HD1 LEU 52 6.540 -5.717 -3.167 396 2HD1 LEU 52 2HD1 LEU 52 6.006 -7.350 -2.633 397 3HD1 LEU 52 3HD1 LEU 52 5.436 -6.686 -4.203 398 1HD2 LEU 52 1HD2 LEU 52 3.549 -7.646 -1.912 399 2HD2 LEU 52 2HD2 LEU 52 2.443 -6.239 -2.081 400 3HD2 LEU 52 3HD2 LEU 52 3.116 -7.033 -3.547 401 H TYR 53 H TYR 53 7.494 -7.662 -1.312 402 HA TYR 53 HA TYR 53 5.825 -9.978 -2.077 403 1HB TYR 53 1HB TYR 53 7.733 -8.384 -3.386 404 2HB TYR 53 2HB TYR 53 8.512 -9.929 -3.111 405 HD1 TYR 53 1HD TYR 53 6.781 -12.003 -3.618 406 HD2 TYR 53 2HD TYR 53 6.801 -8.130 -5.493 407 HE1 TYR 53 1HE TYR 53 5.734 -12.966 -5.659 408 HE2 TYR 53 2HE TYR 53 5.675 -9.096 -7.491 409 HH TYR 53 HH TYR 53 4.719 -10.935 -8.378 410 H GLN 54 H GLN 54 7.989 -8.911 0.253 411 HA GLN 54 HA GLN 54 9.544 -11.287 0.595 412 1HB GLN 54 1HB GLN 54 10.243 -10.298 2.677 413 2HB GLN 54 2HB GLN 54 10.254 -9.087 1.411 414 1HG GLN 54 1HG GLN 54 7.983 -8.382 2.199 415 2HG GLN 54 2HG GLN 54 8.200 -9.454 3.568 416 1HE2 GLN 54 2HE2 GLN 54 8.020 -7.741 5.009 417 2HE2 GLN 54 1HE2 GLN 54 9.356 -6.645 5.278 418 H GLU 55 H GLU 55 6.494 -10.099 1.891 419 HA GLU 55 HA GLU 55 6.250 -12.311 3.734 420 1HB GLU 55 1HB GLU 55 4.214 -10.292 2.876 421 2HB GLU 55 2HB GLU 55 4.084 -11.381 4.241 422 1HG GLU 55 1HG GLU 55 6.337 -10.247 4.949 423 2HG GLU 55 2HG GLU 55 5.761 -8.957 3.912 424 H ASP 56 H ASP 56 6.343 -12.451 0.596 425 HA ASP 56 HA ASP 56 5.673 -14.088 -0.864 426 1HB ASP 56 1HB ASP 56 5.183 -15.358 1.394 427 2HB ASP 56 2HB ASP 56 3.519 -15.047 0.945 428 H GLN 57 H GLN 57 3.232 -14.979 -1.623 429 HA GLN 57 HA GLN 57 1.922 -12.512 -2.453 430 1HB GLN 57 1HB GLN 57 1.777 -15.377 -3.233 431 2HB GLN 57 2HB GLN 57 0.445 -14.316 -3.641 432 1HG GLN 57 1HG GLN 57 2.324 -14.592 -5.363 433 2HG GLN 57 2HG GLN 57 1.779 -12.967 -5.002 434 1HE2 GLN 57 2HE2 GLN 57 4.282 -15.358 -4.495 435 2HE2 GLN 57 1HE2 GLN 57 5.518 -14.248 -3.948 436 H VAL 58 H VAL 58 1.448 -15.109 -0.220 437 HA VAL 58 HA VAL 58 -1.342 -14.706 0.221 438 HB VAL 58 HB VAL 58 0.414 -15.742 2.353 439 1HG1 VAL 58 1HG1 VAL 58 -1.990 -15.733 2.680 440 2HG1 VAL 58 2HG1 VAL 58 -2.200 -16.671 1.160 441 3HG1 VAL 58 3HG1 VAL 58 -1.366 -17.415 2.568 442 1HG2 VAL 58 1HG2 VAL 58 -0.108 -17.237 -0.233 443 2HG2 VAL 58 2HG2 VAL 58 1.488 -16.647 0.348 444 3HG2 VAL 58 3HG2 VAL 58 0.623 -17.937 1.254 445 H CYS 59 H CYS 59 1.313 -12.814 0.875 446 HA CYS 59 HA CYS 59 -0.203 -11.256 2.863 447 1HB CYS 59 1HB CYS 59 2.698 -11.766 2.624 448 2HB CYS 59 2HB CYS 59 2.059 -10.386 3.494 449 H VAL 60 H VAL 60 -0.303 -11.263 -0.062 450 HA VAL 60 HA VAL 60 0.714 -8.541 -0.602 451 HB VAL 60 HB VAL 60 0.061 -10.872 -2.292 452 1HG1 VAL 60 1HG1 VAL 60 -1.290 -9.117 -3.270 453 2HG1 VAL 60 2HG1 VAL 60 0.138 -8.025 -3.289 454 3HG1 VAL 60 3HG1 VAL 60 0.120 -9.498 -4.319 455 1HG2 VAL 60 1HG2 VAL 60 2.356 -8.917 -2.204 456 2HG2 VAL 60 2HG2 VAL 60 2.334 -10.586 -1.534 457 3HG2 VAL 60 3HG2 VAL 60 2.226 -10.329 -3.310 458 H CYS 61 H CYS 61 -2.058 -10.252 0.228 459 HA CYS 61 HA CYS 61 -3.657 -8.038 0.491 460 1HB CYS 61 1HB CYS 61 -3.528 -8.849 -2.206 461 2HB CYS 61 2HB CYS 61 -5.142 -9.154 -1.597 462 HA PRO 62 HA PRO 62 -5.706 -7.618 0.640 463 1HB PRO 62 1HB PRO 62 -7.201 -7.226 2.902 464 2HB PRO 62 2HB PRO 62 -7.856 -7.749 1.362 465 1HG PRO 62 1HG PRO 62 -7.422 -9.298 3.808 466 2HG PRO 62 2HG PRO 62 -8.450 -9.663 2.437 467 1HD PRO 62 1HD PRO 62 -5.896 -10.782 3.023 468 2HD PRO 62 2HD PRO 62 -6.883 -11.076 1.606 469 H THR 63 H THR 63 -3.603 -9.128 2.479 470 HA THR 63 HA THR 63 -2.824 -7.590 4.595 471 HB THR 63 HB THR 63 -0.424 -8.172 3.501 472 HG1 THR 63 1HG THR 63 -0.886 -10.009 2.172 473 1HG2 THR 63 1HG2 THR 63 -1.458 -9.295 5.538 474 2HG2 THR 63 2HG2 THR 63 -2.415 -10.306 4.401 475 3HG2 THR 63 3HG2 THR 63 -0.623 -10.439 4.432 476 H LEU 64 H LEU 64 -2.660 -6.681 1.209 477 HA LEU 64 HA LEU 64 -1.254 -4.201 1.902 478 1HB LEU 64 1HB LEU 64 -1.679 -5.790 -0.454 479 2HB LEU 64 2HB LEU 64 -2.020 -4.096 -0.742 480 HG LEU 64 HG LEU 64 0.417 -4.374 0.716 481 1HD1 LEU 64 1HD1 LEU 64 0.576 -6.586 -0.282 482 2HD1 LEU 64 2HD1 LEU 64 0.286 -5.870 -1.907 483 3HD1 LEU 64 3HD1 LEU 64 1.786 -5.468 -1.001 484 1HD2 LEU 64 1HD2 LEU 64 -0.207 -3.329 -2.061 485 2HD2 LEU 64 2HD2 LEU 64 -0.236 -2.380 -0.534 486 3HD2 LEU 64 3HD2 LEU 64 1.318 -3.039 -1.153 487 H LYS 65 H LYS 65 -4.473 -5.365 1.173 488 HA LYS 65 HA LYS 65 -5.769 -2.957 0.670 489 1HB LYS 65 1HB LYS 65 -7.064 -4.822 0.345 490 2HB LYS 65 2HB LYS 65 -6.654 -5.508 1.904 491 1HG LYS 65 1HG LYS 65 -8.174 -2.951 1.785 492 2HG LYS 65 2HG LYS 65 -9.011 -4.466 1.510 493 1HD LYS 65 1HD LYS 65 -7.243 -4.329 3.888 494 2HD LYS 65 2HD LYS 65 -8.731 -3.404 3.953 495 1HE LYS 65 1HE LYS 65 -9.426 -5.911 2.900 496 2HE LYS 65 2HE LYS 65 -8.352 -6.236 4.244 497 1HZ LYS 65 1HZ LYS 65 -9.729 -4.855 5.615 498 2HZ LYS 65 2HZ LYS 65 -10.745 -4.548 4.343 499 3HZ LYS 65 3HZ LYS 65 -10.622 -6.083 4.953 500 H GLN 66 H GLN 66 -4.213 -3.966 3.555 501 HA GLN 66 HA GLN 66 -5.681 -2.066 5.227 502 1HB GLN 66 1HB GLN 66 -3.387 -3.248 6.472 503 2HB GLN 66 2HB GLN 66 -5.076 -3.377 6.918 504 1HG GLN 66 1HG GLN 66 -5.212 -5.081 4.991 505 2HG GLN 66 2HG GLN 66 -3.466 -5.138 5.132 506 1HE2 GLN 66 2HE2 GLN 66 -2.750 -6.763 6.268 507 2HE2 GLN 66 1HE2 GLN 66 -3.554 -7.471 7.651 508 H ALA 67 H ALA 67 -2.420 -2.663 3.924 509 HA ALA 67 HA ALA 67 -1.279 -0.308 4.989 510 1HB ALA 67 1HB ALA 67 0.057 -2.191 4.215 511 2HB ALA 67 2HB ALA 67 -0.552 -1.942 2.542 512 3HB ALA 67 3HB ALA 67 0.496 -0.702 3.312 513 H ALA 68 H ALA 68 -3.672 -0.679 2.669 514 HA ALA 68 HA ALA 68 -3.075 1.971 1.492 515 1HB ALA 68 1HB ALA 68 -3.150 0.120 -0.112 516 2HB ALA 68 2HB ALA 68 -4.783 -0.328 0.494 517 3HB ALA 68 3HB ALA 68 -4.538 1.236 -0.357 518 H LYS 69 H LYS 69 -5.149 0.149 3.550 519 HA LYS 69 HA LYS 69 -7.285 2.153 3.410 520 1HB LYS 69 1HB LYS 69 -7.848 -0.240 3.479 521 2HB LYS 69 2HB LYS 69 -7.096 -0.346 5.058 522 1HG LYS 69 1HG LYS 69 -9.418 -0.106 5.448 523 2HG LYS 69 2HG LYS 69 -8.700 1.450 5.810 524 1HD LYS 69 1HD LYS 69 -9.636 2.463 3.975 525 2HD LYS 69 2HD LYS 69 -9.704 0.973 3.056 526 1HE LYS 69 1HE LYS 69 -11.385 1.072 5.471 527 2HE LYS 69 2HE LYS 69 -11.865 2.132 4.161 528 1HZ LYS 69 1HZ LYS 69 -11.878 0.244 2.702 529 2HZ LYS 69 2HZ LYS 69 -11.425 -0.760 3.939 530 3HZ LYS 69 3HZ LYS 69 -12.900 -0.008 3.980 531 H SER 70 H SER 70 -4.692 1.086 5.520 532 HA SER 70 HA SER 70 -5.464 2.930 7.636 533 1HB SER 70 1HB SER 70 -4.067 0.557 7.595 534 2HB SER 70 2HB SER 70 -2.816 1.762 7.827 535 HG SER 70 HG SER 70 -3.736 1.061 9.810 536 H VAL 71 H VAL 71 -4.394 3.520 4.714 537 HA VAL 71 HA VAL 71 -2.242 5.371 5.476 538 HB VAL 71 HB VAL 71 -2.402 3.688 3.428 539 1HG1 VAL 71 1HG1 VAL 71 -4.299 4.759 2.380 540 2HG1 VAL 71 2HG1 VAL 71 -3.387 6.308 2.316 541 3HG1 VAL 71 3HG1 VAL 71 -2.828 4.894 1.355 542 1HG2 VAL 71 1HG2 VAL 71 -1.044 6.387 3.371 543 2HG2 VAL 71 2HG2 VAL 71 -0.402 4.882 4.114 544 3HG2 VAL 71 3HG2 VAL 71 -0.626 4.982 2.333 545 H ARG 72 H ARG 72 -5.586 5.267 4.860 546 HA ARG 72 HA ARG 72 -5.797 8.052 4.041 547 1HB ARG 72 1HB ARG 72 -8.270 7.550 4.259 548 2HB ARG 72 2HB ARG 72 -7.389 6.665 3.030 549 1HG ARG 72 1HG ARG 72 -7.637 4.688 4.080 550 2HG ARG 72 2HG ARG 72 -7.520 5.401 5.676 551 1HD ARG 72 1HD ARG 72 -9.905 6.370 4.674 552 2HD ARG 72 2HD ARG 72 -9.857 4.702 4.137 553 HE ARG 72 HE ARG 72 -9.163 4.982 6.921 554 1HH1 ARG 72 1HH2 ARG 72 -11.856 4.735 4.688 555 2HH1 ARG 72 2HH2 ARG 72 -12.954 4.127 5.907 556 1HH2 ARG 72 1HH1 ARG 72 -10.596 4.210 8.476 557 2HH2 ARG 72 2HH1 ARG 72 -12.246 3.833 8.029 558 H VAL 73 H VAL 73 -4.662 8.858 5.946 559 HA VAL 73 HA VAL 73 -5.915 8.541 8.538 560 HB VAL 73 HB VAL 73 -3.809 10.497 7.685 561 1HG1 VAL 73 1HG1 VAL 73 -4.876 11.075 9.814 562 2HG1 VAL 73 2HG1 VAL 73 -4.562 9.412 10.418 563 3HG1 VAL 73 3HG1 VAL 73 -3.187 10.518 10.074 564 1HG2 VAL 73 1HG2 VAL 73 -3.484 7.698 8.825 565 2HG2 VAL 73 2HG2 VAL 73 -3.084 8.210 7.148 566 3HG2 VAL 73 3HG2 VAL 73 -2.152 8.870 8.536 567 H GLN 74 H GLN 74 -7.724 9.487 9.095 568 HA GLN 74 HA GLN 74 -8.474 11.990 7.725 569 1HB GLN 74 1HB GLN 74 -10.264 10.189 9.308 570 2HB GLN 74 2HB GLN 74 -10.737 11.520 8.269 571 1HG GLN 74 1HG GLN 74 -10.703 10.218 6.457 572 2HG GLN 74 2HG GLN 74 -9.095 9.637 6.836 573 1HE2 GLN 74 2HE2 GLN 74 -11.402 8.208 5.717 574 2HE2 GLN 74 1HE2 GLN 74 -11.713 6.878 6.809 575 H GLY 75 H GLY 75 -7.848 13.740 8.755 576 1HA GLY 75 1HA GLY 75 -7.887 13.716 11.719 577 2HA GLY 75 2HA GLY 75 -6.990 14.835 10.711 578 H GLN 76 H GLN 76 -8.674 15.902 9.008 579 HA GLN 76 HA GLN 76 -10.942 16.914 10.619 580 1HB GLN 76 1HB GLN 76 -8.727 18.403 9.445 581 2HB GLN 76 2HB GLN 76 -10.308 19.063 9.083 582 1HG GLN 76 1HG GLN 76 -10.784 18.803 11.589 583 2HG GLN 76 2HG GLN 76 -9.053 18.603 11.766 584 1HE2 GLN 76 2HE2 GLN 76 -11.398 20.782 12.118 585 2HE2 GLN 76 1HE2 GLN 76 -10.557 22.259 11.703 586 H HIS 77 H HIS 77 -11.176 14.788 8.867 587 HA HIS 77 HA HIS 77 -13.146 15.868 7.039 588 1HB HIS 77 1HB HIS 77 -12.061 14.660 5.067 589 2HB HIS 77 2HB HIS 77 -11.439 16.231 5.532 590 HD1 HIS 77 1HD HIS 77 -9.167 16.099 7.149 591 HD2 HIS 77 2HD HIS 77 -10.230 12.718 4.853 592 HE1 HIS 77 1HE HIS 77 -7.071 14.619 7.023 593 HE2 HIS 77 2HE HIS 77 -7.728 12.588 5.584 594 H GLY 78 H GLY 78 -11.831 12.969 5.938 595 1HA GLY 78 1HA GLY 78 -12.385 10.847 7.301 596 2HA GLY 78 2HA GLY 78 -14.024 11.461 7.210 597 HA PRO 79 HA PRO 79 -14.340 9.333 3.442 598 1HB PRO 79 1HB PRO 79 -16.591 10.564 2.418 599 2HB PRO 79 2HB PRO 79 -16.604 9.262 3.591 600 1HG PRO 79 1HG PRO 79 -17.161 12.115 3.994 601 2HG PRO 79 2HG PRO 79 -17.559 10.757 5.030 602 1HD PRO 79 1HD PRO 79 -15.449 12.630 5.388 603 2HD PRO 79 2HD PRO 79 -15.778 11.209 6.359 604 H PHE 80 H PHE 80 -12.561 9.879 2.258 605 HA PHE 80 HA PHE 80 -12.855 11.431 -0.070 606 1HB PHE 80 1HB PHE 80 -12.613 13.038 2.166 607 2HB PHE 80 2HB PHE 80 -10.975 12.960 1.547 608 HD1 PHE 80 1HD PHE 80 -10.361 14.724 0.229 609 HD2 PHE 80 2HD PHE 80 -14.415 13.335 0.086 610 HE1 PHE 80 1HE PHE 80 -10.901 16.459 -1.463 611 HE2 PHE 80 2HE PHE 80 -14.958 15.069 -1.602 612 HZ PHE 80 HZ PHE 80 -13.198 16.636 -2.380 613 H GLN 81 H GLN 81 -10.533 10.697 2.521 614 HA GLN 81 HA GLN 81 -8.257 10.518 0.849 615 1HB GLN 81 1HB GLN 81 -8.852 9.385 3.552 616 2HB GLN 81 2HB GLN 81 -7.310 9.167 2.751 617 1HG GLN 81 1HG GLN 81 -8.589 11.779 3.503 618 2HG GLN 81 2HG GLN 81 -7.178 11.054 4.247 619 1HE2 GLN 81 2HE2 GLN 81 -7.515 13.667 2.959 620 2HE2 GLN 81 1HE2 GLN 81 -6.344 13.727 1.660 621 H SER 82 H SER 82 -9.822 7.771 2.547 622 HA SER 82 HA SER 82 -8.748 5.692 1.189 623 1HB SER 82 1HB SER 82 -10.345 4.450 2.108 624 2HB SER 82 2HB SER 82 -10.824 5.947 2.883 625 HG SER 82 HG SER 82 -12.576 4.855 1.929 626 H THR 83 H THR 83 -11.441 7.689 0.032 627 HA THR 83 HA THR 83 -12.114 6.404 -2.287 628 HB THR 83 HB THR 83 -12.240 9.120 -1.270 629 HG1 THR 83 1HG THR 83 -14.322 8.785 -2.197 630 1HG2 THR 83 1HG2 THR 83 -11.171 9.640 -3.479 631 2HG2 THR 83 2HG2 THR 83 -12.458 8.667 -4.275 632 3HG2 THR 83 3HG2 THR 83 -12.886 10.173 -3.390 633 H ARG 84 H ARG 84 -9.804 9.123 -2.363 634 HA ARG 84 HA ARG 84 -8.790 8.291 -4.910 635 1HB ARG 84 1HB ARG 84 -8.794 10.648 -3.583 636 2HB ARG 84 2HB ARG 84 -7.154 10.108 -3.281 637 1HG ARG 84 1HG ARG 84 -6.545 10.312 -5.469 638 2HG ARG 84 2HG ARG 84 -8.115 9.807 -6.058 639 1HD ARG 84 1HD ARG 84 -9.042 11.965 -5.737 640 2HD ARG 84 2HD ARG 84 -7.682 12.484 -4.761 641 HE ARG 84 HE ARG 84 -6.867 11.732 -7.423 642 1HH1 ARG 84 1HH2 ARG 84 -8.297 14.349 -5.574 643 2HH1 ARG 84 2HH2 ARG 84 -7.754 15.579 -6.694 644 1HH2 ARG 84 1HH1 ARG 84 -6.172 13.336 -8.844 645 2HH2 ARG 84 2HH1 ARG 84 -6.564 15.011 -8.525 646 H ILE 85 H ILE 85 -7.634 8.150 -1.571 647 HA ILE 85 HA ILE 85 -5.107 7.256 -1.787 648 HB ILE 85 HB ILE 85 -7.292 6.648 0.078 649 1HG1 ILE 85 1HG1 ILE 85 -6.099 8.705 0.354 650 2HG1 ILE 85 2HG1 ILE 85 -5.741 7.641 1.701 651 1HG2 ILE 85 1HG2 ILE 85 -6.267 4.469 -0.120 652 2HG2 ILE 85 2HG2 ILE 85 -4.649 5.198 0.160 653 3HG2 ILE 85 3HG2 ILE 85 -5.877 5.208 1.471 654 1HD1 ILE 85 1HD1 ILE 85 -3.604 6.991 0.646 655 2HD1 ILE 85 2HD1 ILE 85 -3.972 8.081 -0.734 656 3HD1 ILE 85 3HD1 ILE 85 -3.696 8.768 0.904 657 H TYR 86 H TYR 86 -7.932 5.109 -1.873 658 HA TYR 86 HA TYR 86 -6.556 2.760 -2.609 659 1HB TYR 86 1HB TYR 86 -9.313 3.810 -2.637 660 2HB TYR 86 2HB TYR 86 -8.991 2.451 -3.697 661 HD1 TYR 86 1HD TYR 86 -9.616 0.421 -2.866 662 HD2 TYR 86 2HD TYR 86 -8.124 3.410 -0.161 663 HE1 TYR 86 1HE TYR 86 -9.900 -1.168 -0.967 664 HE2 TYR 86 2HE TYR 86 -8.389 1.817 1.734 665 HH TYR 86 HH TYR 86 -9.035 -0.239 2.341 666 H GLN 87 H GLN 87 -8.206 5.254 -4.582 667 HA GLN 87 HA GLN 87 -7.791 4.113 -7.083 668 1HB GLN 87 1HB GLN 87 -8.585 6.636 -6.052 669 2HB GLN 87 2HB GLN 87 -7.437 6.894 -7.350 670 1HG GLN 87 1HG GLN 87 -8.864 6.149 -8.925 671 2HG GLN 87 2HG GLN 87 -9.450 4.845 -7.912 672 1HE2 GLN 87 2HE2 GLN 87 -9.803 8.204 -8.802 673 2HE2 GLN 87 1HE2 GLN 87 -11.343 8.487 -8.021 674 H ILE 88 H ILE 88 -5.427 5.233 -4.916 675 HA ILE 88 HA ILE 88 -3.434 5.491 -7.082 676 HB ILE 88 HB ILE 88 -3.151 6.324 -4.218 677 1HG1 ILE 88 1HG1 ILE 88 -3.625 8.291 -6.403 678 2HG1 ILE 88 2HG1 ILE 88 -4.994 7.499 -5.646 679 1HG2 ILE 88 1HG2 ILE 88 -1.041 5.954 -5.402 680 2HG2 ILE 88 2HG2 ILE 88 -1.596 7.040 -6.723 681 3HG2 ILE 88 3HG2 ILE 88 -1.293 7.706 -5.081 682 1HD1 ILE 88 1HD1 ILE 88 -4.242 8.267 -3.428 683 2HD1 ILE 88 2HD1 ILE 88 -2.838 9.079 -4.203 684 3HD1 ILE 88 3HD1 ILE 88 -4.507 9.648 -4.547 685 H ALA 89 H ALA 89 -4.303 3.811 -4.105 686 HA ALA 89 HA ALA 89 -1.963 2.095 -4.255 687 1HB ALA 89 1HB ALA 89 -2.831 2.794 -2.096 688 2HB ALA 89 2HB ALA 89 -4.420 2.048 -2.490 689 3HB ALA 89 3HB ALA 89 -2.966 1.010 -2.281 690 H LYS 90 H LYS 90 -4.554 2.288 -6.159 691 HA LYS 90 HA LYS 90 -5.251 -0.547 -6.239 692 1HB LYS 90 1HB LYS 90 -6.921 0.084 -7.834 693 2HB LYS 90 2HB LYS 90 -6.989 1.203 -6.487 694 1HG LYS 90 1HG LYS 90 -7.109 2.654 -8.270 695 2HG LYS 90 2HG LYS 90 -5.382 2.633 -7.973 696 1HD LYS 90 1HD LYS 90 -4.942 1.339 -9.843 697 2HD LYS 90 2HD LYS 90 -6.559 0.667 -9.884 698 1HE LYS 90 1HE LYS 90 -6.117 2.264 -11.725 699 2HE LYS 90 2HE LYS 90 -7.457 2.742 -10.703 700 1HZ LYS 90 1HZ LYS 90 -5.986 4.222 -9.551 701 2HZ LYS 90 2HZ LYS 90 -4.720 3.769 -10.517 702 3HZ LYS 90 3HZ LYS 90 -6.011 4.576 -11.169 703 H ASN 91 H ASN 91 -3.264 1.842 -7.848 704 HA ASN 91 HA ASN 91 -2.653 0.008 -10.042 705 1HB ASN 91 1HB ASN 91 -1.082 1.875 -10.696 706 2HB ASN 91 2HB ASN 91 -2.788 2.277 -10.699 707 1HD2 ASN 91 2HD2 ASN 91 0.217 2.505 -8.843 708 2HD2 ASN 91 1HD2 ASN 91 -0.232 3.933 -7.935 709 H LEU 92 H LEU 92 -1.979 -0.363 -7.043 710 HA LEU 92 HA LEU 92 0.908 -0.319 -7.011 711 1HB LEU 92 1HB LEU 92 -1.240 -0.770 -5.148 712 2HB LEU 92 2HB LEU 92 0.065 -1.919 -4.939 713 HG LEU 92 HG LEU 92 0.409 1.046 -4.959 714 1HD1 LEU 92 1HD1 LEU 92 -0.960 0.390 -3.041 715 2HD1 LEU 92 2HD1 LEU 92 0.253 -0.863 -2.607 716 3HD1 LEU 92 3HD1 LEU 92 0.686 0.880 -2.510 717 1HD2 LEU 92 1HD2 LEU 92 2.289 -1.201 -4.191 718 2HD2 LEU 92 2HD2 LEU 92 2.406 -0.169 -5.658 719 3HD2 LEU 92 3HD2 LEU 92 2.636 0.556 -4.029 720 HA PRO 93 HA PRO 93 0.458 -4.983 -7.480 721 1HB PRO 93 1HB PRO 93 -2.046 -6.081 -7.779 722 2HB PRO 93 2HB PRO 93 -1.196 -5.938 -6.253 723 1HG PRO 93 1HG PRO 93 -3.502 -4.423 -7.233 724 2HG PRO 93 2HG PRO 93 -2.919 -4.612 -5.591 725 1HD PRO 93 1HD PRO 93 -2.538 -2.385 -7.312 726 2HD PRO 93 2HD PRO 93 -1.877 -2.614 -5.705 727 H ASN 94 H ASN 94 -0.915 -2.636 -9.357 728 HA ASN 94 HA ASN 94 -1.256 -4.281 -11.756 729 1HB ASN 94 1HB ASN 94 -1.515 -1.338 -11.194 730 2HB ASN 94 2HB ASN 94 -1.722 -2.038 -12.786 731 1HD2 ASN 94 2HD2 ASN 94 -3.730 -0.579 -11.625 732 2HD2 ASN 94 1HD2 ASN 94 -5.047 -1.642 -11.184 733 H VAL 95 H VAL 95 0.935 -1.960 -10.294 734 HA VAL 95 HA VAL 95 2.728 -2.196 -12.640 735 HB VAL 95 HB VAL 95 2.910 -0.199 -10.415 736 1HG1 VAL 95 1HG1 VAL 95 4.976 -0.501 -11.700 737 2HG1 VAL 95 2HG1 VAL 95 4.059 -0.226 -13.223 738 3HG1 VAL 95 3HG1 VAL 95 4.240 1.107 -12.030 739 1HG2 VAL 95 1HG2 VAL 95 1.519 0.106 -13.099 740 2HG2 VAL 95 2HG2 VAL 95 0.718 0.056 -11.490 741 3HG2 VAL 95 3HG2 VAL 95 1.804 1.425 -11.913 742 H CYS 96 H CYS 96 2.192 -3.404 -9.585 743 HA CYS 96 HA CYS 96 4.977 -4.341 -9.430 744 1HB CYS 96 1HB CYS 96 4.435 -2.542 -7.725 745 2HB CYS 96 2HB CYS 96 3.363 -3.718 -6.991 746 H ASN 97 H ASN 97 2.786 -5.568 -10.767 747 HA ASN 97 HA ASN 97 1.142 -7.327 -9.717 748 1HB ASN 97 1HB ASN 97 3.224 -7.749 -11.788 749 2HB ASN 97 2HB ASN 97 2.312 -9.137 -11.235 750 1HD2 ASN 97 2HD2 ASN 97 1.978 -5.853 -12.477 751 2HD2 ASN 97 1HD2 ASN 97 0.456 -6.112 -13.300 752 H MET 98 H MET 98 1.275 -8.044 -7.679 753 HA MET 98 HA MET 98 3.623 -9.702 -7.021 754 1HB MET 98 1HB MET 98 3.355 -8.991 -4.662 755 2HB MET 98 2HB MET 98 3.876 -7.718 -5.747 756 1HG MET 98 1HG MET 98 1.012 -7.842 -5.670 757 2HG MET 98 2HG MET 98 1.649 -7.702 -4.045 758 1HE MET 98 1HE MET 98 -0.142 -5.447 -4.597 759 2HE MET 98 2HE MET 98 1.029 -5.420 -3.233 760 3HE MET 98 3HE MET 98 0.878 -3.993 -4.318 761 H LYS 99 H LYS 99 0.955 -10.312 -8.170 762 HA LYS 99 HA LYS 99 0.363 -12.514 -6.393 763 1HB LYS 99 1HB LYS 99 -1.938 -11.970 -5.995 764 2HB LYS 99 2HB LYS 99 -0.920 -10.680 -5.383 765 1HG LYS 99 1HG LYS 99 -1.955 -10.426 -8.154 766 2HG LYS 99 2HG LYS 99 -3.086 -10.187 -6.836 767 1HD LYS 99 1HD LYS 99 -2.345 -8.109 -6.628 768 2HD LYS 99 2HD LYS 99 -0.780 -8.745 -6.164 769 1HE LYS 99 1HE LYS 99 -0.414 -7.287 -8.026 770 2HE LYS 99 2HE LYS 99 -0.235 -8.926 -8.620 771 1HZ LYS 99 1HZ LYS 99 -2.481 -8.825 -9.431 772 2HZ LYS 99 2HZ LYS 99 -2.649 -7.276 -8.869 773 3HZ LYS 99 3HZ LYS 99 -1.575 -7.602 -10.087 774 H GLN 100 H GLN 100 1.525 -12.769 -8.733 775 HA GLN 100 HA GLN 100 0.184 -12.733 -11.097 776 1HB GLN 100 1HB GLN 100 2.465 -13.758 -10.491 777 2HB GLN 100 2HB GLN 100 1.570 -15.245 -10.254 778 1HG GLN 100 1HG GLN 100 0.816 -13.970 -12.731 779 2HG GLN 100 2HG GLN 100 2.546 -14.243 -12.671 780 1HE2 GLN 100 2HE2 GLN 100 0.560 -15.489 -14.398 781 2HE2 GLN 100 1HE2 GLN 100 0.649 -17.209 -14.092 782 H ILE 101 H ILE 101 -0.477 -14.917 -8.410 783 HA ILE 101 HA ILE 101 -2.421 -16.487 -9.747 784 HB ILE 101 HB ILE 101 -1.236 -17.091 -7.697 785 1HG1 ILE 101 1HG1 ILE 101 -3.422 -17.932 -6.539 786 2HG1 ILE 101 2HG1 ILE 101 -4.186 -17.264 -7.966 787 1HG2 ILE 101 1HG2 ILE 101 -1.324 -14.980 -6.478 788 2HG2 ILE 101 2HG2 ILE 101 -3.111 -15.129 -6.347 789 3HG2 ILE 101 3HG2 ILE 101 -2.045 -16.307 -5.507 790 1HD1 ILE 101 1HD1 ILE 101 -2.721 -18.632 -9.420 791 2HD1 ILE 101 2HD1 ILE 101 -1.936 -19.317 -7.955 792 3HD1 ILE 101 3HD1 ILE 101 -3.669 -19.660 -8.290 793 H GLY 102 H GLY 102 -2.928 -13.790 -7.443 794 1HA GLY 102 1HA GLY 102 -4.487 -12.021 -8.290 795 2HA GLY 102 2HA GLY 102 -5.575 -13.331 -8.699 796 H THR 103 H THR 103 -3.850 -11.774 -6.030 797 HA THR 103 HA THR 103 -5.349 -13.132 -3.985 798 HB THR 103 HB THR 103 -3.607 -10.681 -3.906 799 HG1 THR 103 1HG THR 103 -2.146 -12.290 -3.147 800 1HG2 THR 103 1HG2 THR 103 -5.109 -10.891 -1.915 801 2HG2 THR 103 2HG2 THR 103 -4.507 -12.572 -1.706 802 3HG2 THR 103 3HG2 THR 103 -3.379 -11.184 -1.522 803 H CYS 104 H CYS 104 -5.218 -9.606 -4.496 804 HA CYS 104 HA CYS 104 -8.169 -9.570 -4.235 805 1HB CYS 104 1HB CYS 104 -8.097 -7.635 -2.915 806 2HB CYS 104 2HB CYS 104 -6.935 -8.747 -2.220 807 HA PRO 105 HA PRO 105 -6.833 -7.668 -8.181 808 1HB PRO 105 1HB PRO 105 -8.454 -9.164 -9.836 809 2HB PRO 105 2HB PRO 105 -6.777 -9.530 -9.478 810 1HG PRO 105 1HG PRO 105 -9.204 -10.865 -8.514 811 2HG PRO 105 2HG PRO 105 -7.553 -11.450 -8.520 812 1HD PRO 105 1HD PRO 105 -9.007 -10.413 -6.306 813 2HD PRO 105 2HD PRO 105 -7.327 -10.911 -6.335 814 H PHE 106 H PHE 106 -8.340 -6.368 -6.454 815 HA PHE 106 HA PHE 106 -10.989 -5.864 -7.590 816 1HB PHE 106 1HB PHE 106 -11.448 -4.838 -5.570 817 2HB PHE 106 2HB PHE 106 -10.327 -6.105 -5.114 818 HD1 PHE 106 1HD PHE 106 -8.013 -5.551 -4.437 819 HD2 PHE 106 2HD PHE 106 -10.867 -2.508 -5.351 820 HE1 PHE 106 1HE PHE 106 -6.536 -3.862 -3.395 821 HE2 PHE 106 2HE PHE 106 -9.348 -0.808 -4.391 822 HZ PHE 106 HZ PHE 106 -7.183 -1.467 -3.399 823 H ILE 107 H ILE 107 -8.238 -5.083 -8.806 824 HA ILE 107 HA ILE 107 -8.170 -2.234 -8.736 825 HB ILE 107 HB ILE 107 -6.722 -2.550 -10.769 826 1HG1 ILE 107 1HG1 ILE 107 -6.263 -5.356 -10.221 827 2HG1 ILE 107 2HG1 ILE 107 -7.869 -5.067 -10.861 828 1HG2 ILE 107 1HG2 ILE 107 -5.855 -2.247 -8.511 829 2HG2 ILE 107 2HG2 ILE 107 -6.062 -4.004 -8.192 830 3HG2 ILE 107 3HG2 ILE 107 -4.861 -3.446 -9.409 831 1HD1 ILE 107 1HD1 ILE 107 -6.912 -3.830 -12.768 832 2HD1 ILE 107 2HD1 ILE 107 -5.264 -4.126 -12.111 833 3HD1 ILE 107 3HD1 ILE 107 -6.267 -5.506 -12.680 834 H ALA 108 H ALA 108 -9.054 -0.726 -9.974 835 HA ALA 108 HA ALA 108 -10.124 -0.755 -12.443 836 1HB ALA 108 1HB ALA 108 -11.472 -2.734 -11.922 837 2HB ALA 108 2HB ALA 108 -12.238 -1.848 -10.558 838 3HB ALA 108 3HB ALA 108 -12.523 -1.311 -12.250 839 H ILE 109 H ILE 109 -10.521 0.130 -9.122 840 HA ILE 109 HA ILE 109 -12.264 2.237 -9.171 841 HB ILE 109 HB ILE 109 -9.636 2.307 -7.739 842 1HG1 ILE 109 1HG1 ILE 109 -11.564 1.264 -6.012 843 2HG1 ILE 109 2HG1 ILE 109 -11.744 0.362 -7.503 844 1HG2 ILE 109 1HG2 ILE 109 -10.930 4.365 -7.572 845 2HG2 ILE 109 2HG2 ILE 109 -12.362 3.419 -7.039 846 3HG2 ILE 109 3HG2 ILE 109 -10.900 3.499 -5.997 847 1HD1 ILE 109 1HD1 ILE 109 -9.321 -0.095 -7.546 848 2HD1 ILE 109 2HD1 ILE 109 -9.135 0.829 -6.016 849 3HD1 ILE 109 3HD1 ILE 109 -10.074 -0.704 -6.031 Start of MODEL 19 1 1H GLN 1 1H GLN 1 1.070 -16.900 5.460 2 2H GLN 1 2H GLN 1 0.656 -18.427 4.968 3 3H GLN 1 3H GLN 1 2.243 -17.951 4.948 4 HA GLN 1 HA GLN 1 1.767 -16.319 3.299 5 1HB GLN 1 1HB GLN 1 1.662 -19.171 2.935 6 2HB GLN 1 2HB GLN 1 0.696 -18.360 1.718 7 1HG GLN 1 1HG GLN 1 2.746 -18.355 0.702 8 2HG GLN 1 2HG GLN 1 2.791 -16.811 1.528 9 1HE2 GLN 1 2HE2 GLN 1 4.730 -19.125 0.701 10 2HE2 GLN 1 1HE2 GLN 1 5.727 -19.338 2.123 11 HA PRO 2 HA PRO 2 -2.775 -16.750 2.267 12 1HB PRO 2 1HB PRO 2 -4.321 -18.700 3.432 13 2HB PRO 2 2HB PRO 2 -3.563 -18.796 1.855 14 1HG PRO 2 1HG PRO 2 -2.790 -20.115 4.358 15 2HG PRO 2 2HG PRO 2 -2.329 -20.512 2.715 16 1HD PRO 2 1HD PRO 2 -0.763 -19.170 4.656 17 2HD PRO 2 2HD PRO 2 -0.355 -19.450 2.975 18 H GLN 3 H GLN 3 -5.172 -17.052 3.802 19 HA GLN 3 HA GLN 3 -5.208 -14.830 5.393 20 1HB GLN 3 1HB GLN 3 -6.986 -16.787 4.732 21 2HB GLN 3 2HB GLN 3 -6.794 -17.050 6.453 22 1HG GLN 3 1HG GLN 3 -8.214 -15.355 6.805 23 2HG GLN 3 2HG GLN 3 -7.004 -14.273 6.143 24 1HE2 GLN 3 2HE2 GLN 3 -7.009 -13.872 3.822 25 2HE2 GLN 3 1HE2 GLN 3 -8.508 -13.977 2.927 26 H LYS 4 H LYS 4 -3.913 -17.989 6.190 27 HA LYS 4 HA LYS 4 -3.682 -17.586 8.979 28 1HB LYS 4 1HB LYS 4 -3.179 -19.619 7.198 29 2HB LYS 4 2HB LYS 4 -1.604 -19.239 7.861 30 1HG LYS 4 1HG LYS 4 -3.815 -19.350 9.818 31 2HG LYS 4 2HG LYS 4 -3.383 -20.881 9.085 32 1HD LYS 4 1HD LYS 4 -0.994 -19.473 9.821 33 2HD LYS 4 2HD LYS 4 -2.066 -19.559 11.204 34 1HE LYS 4 1HE LYS 4 -1.978 -21.860 11.302 35 2HE LYS 4 2HE LYS 4 -1.669 -22.024 9.584 36 1HZ LYS 4 1HZ LYS 4 0.539 -21.205 9.952 37 2HZ LYS 4 2HZ LYS 4 0.247 -21.049 11.575 38 3HZ LYS 4 3HZ LYS 4 0.261 -22.550 10.877 39 H CYS 5 H CYS 5 -2.225 -15.915 6.532 40 HA CYS 5 HA CYS 5 0.105 -15.118 8.121 41 1HB CYS 5 1HB CYS 5 1.018 -15.615 6.113 42 2HB CYS 5 2HB CYS 5 -0.458 -15.269 5.235 43 H GLN 6 H GLN 6 -3.012 -14.155 6.927 44 HA GLN 6 HA GLN 6 -2.764 -11.397 6.839 45 1HB GLN 6 1HB GLN 6 -4.966 -13.268 7.451 46 2HB GLN 6 2HB GLN 6 -5.202 -11.583 7.864 47 1HG GLN 6 1HG GLN 6 -4.272 -11.231 5.406 48 2HG GLN 6 2HG GLN 6 -4.906 -12.850 5.198 49 1HE2 GLN 6 2HE2 GLN 6 -5.727 -9.549 6.158 50 2HE2 GLN 6 1HE2 GLN 6 -7.436 -9.678 5.809 51 H ARG 7 H ARG 7 -3.307 -13.502 9.646 52 HA ARG 7 HA ARG 7 -3.213 -11.273 11.497 53 1HB ARG 7 1HB ARG 7 -3.280 -14.248 11.856 54 2HB ARG 7 2HB ARG 7 -3.150 -13.137 13.204 55 1HG ARG 7 1HG ARG 7 -5.260 -12.128 12.671 56 2HG ARG 7 2HG ARG 7 -5.354 -13.000 11.153 57 1HD ARG 7 1HD ARG 7 -6.326 -14.744 12.165 58 2HD ARG 7 2HD ARG 7 -5.006 -14.860 13.312 59 HE ARG 7 HE ARG 7 -6.729 -12.703 14.037 60 1HH1 ARG 7 1HH2 ARG 7 -6.619 -16.204 14.040 61 2HH1 ARG 7 2HH2 ARG 7 -7.712 -16.344 15.400 62 1HH2 ARG 7 1HH1 ARG 7 -8.126 -12.903 15.780 63 2HH2 ARG 7 2HH1 ARG 7 -8.558 -14.491 16.375 64 H GLU 8 H GLU 8 -0.880 -12.500 9.687 65 HA GLU 8 HA GLU 8 1.197 -12.327 11.769 66 1HB GLU 8 1HB GLU 8 0.782 -14.190 9.653 67 2HB GLU 8 2HB GLU 8 2.301 -13.351 9.408 68 1HG GLU 8 1HG GLU 8 2.355 -13.874 12.099 69 2HG GLU 8 2HG GLU 8 1.550 -15.294 11.463 70 H PHE 9 H PHE 9 -0.097 -10.901 8.925 71 HA PHE 9 HA PHE 9 2.305 -9.440 8.193 72 1HB PHE 9 1HB PHE 9 1.021 -9.722 6.337 73 2HB PHE 9 2HB PHE 9 -0.464 -9.816 7.264 74 HD1 PHE 9 1HD PHE 9 -1.411 -7.594 8.212 75 HD2 PHE 9 2HD PHE 9 1.502 -7.814 5.073 76 HE1 PHE 9 1HE PHE 9 -1.905 -5.236 7.605 77 HE2 PHE 9 2HE PHE 9 0.912 -5.488 4.392 78 HZ PHE 9 HZ PHE 9 -0.698 -4.170 5.730 79 H GLN 10 H GLN 10 -0.667 -8.961 10.039 80 HA GLN 10 HA GLN 10 0.062 -6.149 10.528 81 1HB GLN 10 1HB GLN 10 -2.380 -7.349 9.994 82 2HB GLN 10 2HB GLN 10 -2.422 -7.011 11.713 83 1HG GLN 10 1HG GLN 10 -1.308 -4.727 10.585 84 2HG GLN 10 2HG GLN 10 -2.586 -5.181 9.474 85 1HE2 GLN 10 2HE2 GLN 10 -3.743 -3.301 10.023 86 2HE2 GLN 10 1HE2 GLN 10 -4.630 -3.193 11.526 87 H GLN 11 H GLN 11 0.318 -9.237 11.859 88 HA GLN 11 HA GLN 11 -0.105 -8.888 14.570 89 1HB GLN 11 1HB GLN 11 0.898 -10.874 13.047 90 2HB GLN 11 2HB GLN 11 2.343 -10.343 13.883 91 1HG GLN 11 1HG GLN 11 0.193 -10.460 15.756 92 2HG GLN 11 2HG GLN 11 0.256 -11.976 14.880 93 1HE2 GLN 11 2HE2 GLN 11 2.252 -13.159 14.812 94 2HE2 GLN 11 1HE2 GLN 11 3.379 -13.022 16.142 95 H GLU 12 H GLU 12 2.891 -8.267 12.753 96 HA GLU 12 HA GLU 12 3.614 -5.982 14.215 97 1HB GLU 12 1HB GLU 12 5.678 -7.179 15.349 98 2HB GLU 12 2HB GLU 12 4.156 -6.951 16.187 99 1HG GLU 12 1HG GLU 12 3.660 -9.161 16.166 100 2HG GLU 12 2HG GLU 12 4.375 -9.412 14.587 101 H GLN 13 H GLN 13 3.533 -7.066 11.557 102 HA GLN 13 HA GLN 13 6.187 -6.240 10.733 103 1HB GLN 13 1HB GLN 13 5.919 -8.907 11.125 104 2HB GLN 13 2HB GLN 13 5.484 -8.759 9.434 105 1HG GLN 13 1HG GLN 13 7.621 -7.247 9.312 106 2HG GLN 13 2HG GLN 13 8.071 -8.096 10.776 107 1HE2 GLN 13 2HE2 GLN 13 7.672 -10.556 10.646 108 2HE2 GLN 13 1HE2 GLN 13 8.283 -11.328 9.201 109 H HIS 14 H HIS 14 4.015 -4.806 10.389 110 HA HIS 14 HA HIS 14 2.558 -5.456 8.003 111 1HB HIS 14 1HB HIS 14 2.601 -2.668 8.881 112 2HB HIS 14 2HB HIS 14 1.248 -3.711 8.489 113 HD1 HIS 14 1HD HIS 14 1.432 -1.771 11.028 114 HD2 HIS 14 2HD HIS 14 2.111 -5.910 10.930 115 HE1 HIS 14 1HE HIS 14 1.017 -2.622 13.406 116 HE2 HIS 14 2HE HIS 14 1.559 -5.139 13.346 117 H LEU 15 H LEU 15 2.692 -2.715 6.927 118 HA LEU 15 HA LEU 15 5.385 -2.809 5.721 119 1HB LEU 15 1HB LEU 15 2.992 -2.022 4.141 120 2HB LEU 15 2HB LEU 15 4.567 -2.545 3.578 121 HG LEU 15 HG LEU 15 2.408 -4.247 4.761 122 1HD1 LEU 15 1HD1 LEU 15 1.991 -3.619 2.456 123 2HD1 LEU 15 2HD1 LEU 15 3.635 -4.182 1.998 124 3HD1 LEU 15 3HD1 LEU 15 2.407 -5.364 2.568 125 1HD2 LEU 15 1HD2 LEU 15 5.188 -5.070 3.908 126 2HD2 LEU 15 2HD2 LEU 15 4.547 -5.048 5.587 127 3HD2 LEU 15 3HD2 LEU 15 3.860 -6.187 4.379 128 H ARG 16 H ARG 16 5.831 -0.722 4.521 129 HA ARG 16 HA ARG 16 4.709 1.619 5.893 130 1HB ARG 16 1HB ARG 16 7.260 2.358 5.989 131 2HB ARG 16 2HB ARG 16 6.465 1.570 7.337 132 1HG ARG 16 1HG ARG 16 7.666 -0.227 5.326 133 2HG ARG 16 2HG ARG 16 8.795 0.709 6.284 134 1HD ARG 16 1HD ARG 16 7.465 -0.105 8.322 135 2HD ARG 16 2HD ARG 16 6.750 -1.278 7.234 136 HE ARG 16 HE ARG 16 9.443 -1.306 8.314 137 1HH1 ARG 16 1HH2 ARG 16 7.439 -2.388 5.649 138 2HH1 ARG 16 2HH2 ARG 16 8.513 -3.704 5.237 139 1HH2 ARG 16 1HH1 ARG 16 10.808 -2.987 7.762 140 2HH2 ARG 16 2HH1 ARG 16 10.408 -4.041 6.425 141 H ALA 17 H ALA 17 7.706 1.239 4.010 142 HA ALA 17 HA ALA 17 7.493 3.296 2.338 143 1HB ALA 17 1HB ALA 17 9.355 1.721 2.322 144 2HB ALA 17 2HB ALA 17 8.299 0.485 1.556 145 3HB ALA 17 3HB ALA 17 8.726 1.984 0.658 146 H CYS 18 H CYS 18 6.001 0.141 1.539 147 HA CYS 18 HA CYS 18 4.637 0.931 -0.722 148 1HB CYS 18 1HB CYS 18 4.683 -1.282 0.984 149 2HB CYS 18 2HB CYS 18 3.007 -0.830 0.746 150 H GLN 19 H GLN 19 3.319 0.778 2.573 151 HA GLN 19 HA GLN 19 1.155 2.547 1.801 152 1HB GLN 19 1HB GLN 19 0.310 2.156 4.010 153 2HB GLN 19 2HB GLN 19 0.746 0.643 3.243 154 1HG GLN 19 1HG GLN 19 1.784 0.224 5.184 155 2HG GLN 19 2HG GLN 19 3.045 1.247 4.526 156 1HE2 GLN 19 2HE2 GLN 19 -0.153 1.766 6.009 157 2HE2 GLN 19 1HE2 GLN 19 0.379 2.934 7.198 158 H GLN 20 H GLN 20 3.706 3.751 1.531 159 HA GLN 20 HA GLN 20 3.441 5.938 3.463 160 1HB GLN 20 1HB GLN 20 5.934 4.324 3.126 161 2HB GLN 20 2HB GLN 20 5.985 5.999 3.636 162 1HG GLN 20 1HG GLN 20 4.085 4.269 5.081 163 2HG GLN 20 2HG GLN 20 5.783 3.929 5.349 164 1HE2 GLN 20 2HE2 GLN 20 6.344 4.707 7.221 165 2HE2 GLN 20 1HE2 GLN 20 6.015 6.331 7.785 166 H TRP 21 H TRP 21 5.121 4.641 0.623 167 HA TRP 21 HA TRP 21 5.976 7.068 -0.469 168 1HB TRP 21 1HB TRP 21 6.154 5.902 -2.543 169 2HB TRP 21 2HB TRP 21 6.687 4.855 -1.243 170 HD1 TRP 21 HD TRP 21 5.663 2.461 -1.275 171 HE1 TRP 21 1HE TRP 21 3.724 1.272 -2.486 172 HE3 TRP 21 3HE TRP 21 3.743 6.537 -3.609 173 HZ2 TRP 21 2HZ TRP 21 1.582 2.049 -4.221 174 HZ3 TRP 21 3HZ TRP 21 1.728 6.272 -5.031 175 HH2 TRP 21 HH TRP 21 0.677 4.073 -5.363 176 H ILE 22 H ILE 22 2.839 5.575 -0.236 177 HA ILE 22 HA ILE 22 1.559 7.094 -2.278 178 HB ILE 22 HB ILE 22 0.159 6.048 0.128 179 1HG1 ILE 22 1HG1 ILE 22 1.567 4.465 -1.952 180 2HG1 ILE 22 2HG1 ILE 22 1.424 4.169 -0.231 181 1HG2 ILE 22 1HG2 ILE 22 -1.157 7.268 -1.524 182 2HG2 ILE 22 2HG2 ILE 22 -0.547 6.180 -2.818 183 3HG2 ILE 22 3HG2 ILE 22 -1.608 5.527 -1.519 184 1HD1 ILE 22 1HD1 ILE 22 -0.934 3.530 -0.514 185 2HD1 ILE 22 2HD1 ILE 22 -0.788 3.834 -2.280 186 3HD1 ILE 22 3HD1 ILE 22 0.155 2.509 -1.515 187 H ARG 23 H ARG 23 2.439 7.694 1.039 188 HA ARG 23 HA ARG 23 0.808 9.951 1.532 189 1HB ARG 23 1HB ARG 23 3.576 9.475 2.602 190 2HB ARG 23 2HB ARG 23 2.315 10.457 3.322 191 1HG ARG 23 1HG ARG 23 2.256 7.462 2.972 192 2HG ARG 23 2HG ARG 23 2.470 8.325 4.483 193 1HD ARG 23 1HD ARG 23 0.125 9.348 3.317 194 2HD ARG 23 2HD ARG 23 0.035 7.607 3.154 195 HE ARG 23 HE ARG 23 -0.124 7.381 5.441 196 1HH1 ARG 23 1HH2 ARG 23 0.672 10.673 4.676 197 2HH1 ARG 23 2HH2 ARG 23 0.405 11.236 6.311 198 1HH2 ARG 23 1HH1 ARG 23 -0.454 8.083 7.538 199 2HH2 ARG 23 2HH1 ARG 23 -0.231 9.775 7.928 200 H GLN 24 H GLN 24 3.559 9.501 -0.490 201 HA GLN 24 HA GLN 24 4.419 12.211 -0.554 202 1HB GLN 24 1HB GLN 24 4.776 9.953 -2.492 203 2HB GLN 24 2HB GLN 24 5.531 11.523 -2.678 204 1HG GLN 24 1HG GLN 24 5.956 9.536 -0.460 205 2HG GLN 24 2HG GLN 24 7.134 10.107 -1.624 206 1HE2 GLN 24 2HE2 GLN 24 7.186 10.121 1.294 207 2HE2 GLN 24 1HE2 GLN 24 7.377 11.789 1.781 208 H GLN 25 H GLN 25 1.585 10.787 -1.610 209 HA GLN 25 HA GLN 25 1.193 12.519 -3.902 210 1HB GLN 25 1HB GLN 25 -0.667 10.635 -2.479 211 2HB GLN 25 2HB GLN 25 -1.058 11.502 -3.951 212 1HG GLN 25 1HG GLN 25 1.301 9.643 -3.690 213 2HG GLN 25 2HG GLN 25 -0.260 9.142 -4.308 214 1HE2 GLN 25 2HE2 GLN 25 -1.016 9.914 -6.287 215 2HE2 GLN 25 1HE2 GLN 25 0.056 10.645 -7.460 216 H LEU 26 H LEU 26 1.064 12.919 -0.583 217 HA LEU 26 HA LEU 26 -1.240 14.690 -0.552 218 1HB LEU 26 1HB LEU 26 0.729 13.892 1.564 219 2HB LEU 26 2HB LEU 26 -0.604 14.997 1.834 220 HG LEU 26 HG LEU 26 -0.915 12.614 2.579 221 1HD1 LEU 26 1HD1 LEU 26 -2.774 14.172 2.435 222 2HD1 LEU 26 2HD1 LEU 26 -2.949 13.810 0.682 223 3HD1 LEU 26 3HD1 LEU 26 -3.284 12.532 1.902 224 1HD2 LEU 26 1HD2 LEU 26 -1.269 12.125 -0.383 225 2HD2 LEU 26 2HD2 LEU 26 0.017 11.434 0.667 226 3HD2 LEU 26 3HD2 LEU 26 -1.703 10.978 0.931 227 H ALA 27 H ALA 27 -1.211 16.828 -0.634 228 HA ALA 27 HA ALA 27 1.305 18.083 -1.422 229 1HB ALA 27 1HB ALA 27 -0.713 18.537 -2.717 230 2HB ALA 27 2HB ALA 27 -1.523 19.163 -1.239 231 3HB ALA 27 3HB ALA 27 -0.114 20.040 -1.934 232 H GLY 28 H GLY 28 0.335 17.166 1.442 233 1HA GLY 28 1HA GLY 28 1.349 19.593 2.800 234 2HA GLY 28 2HA GLY 28 -0.059 18.740 3.401 235 H SER 29 H SER 29 3.400 18.722 3.019 236 HA SER 29 HA SER 29 3.714 16.978 5.283 237 1HB SER 29 1HB SER 29 3.224 15.348 3.425 238 2HB SER 29 2HB SER 29 4.718 15.876 2.675 239 HG SER 29 HG SER 29 5.003 14.005 3.977 240 HA PRO 30 HA PRO 30 7.089 19.879 4.521 241 1HB PRO 30 1HB PRO 30 7.189 20.892 7.083 242 2HB PRO 30 2HB PRO 30 6.276 21.596 5.764 243 1HG PRO 30 1HG PRO 30 5.302 20.071 8.081 244 2HG PRO 30 2HG PRO 30 4.412 21.134 7.009 245 1HD PRO 30 1HD PRO 30 4.418 18.286 6.986 246 2HD PRO 30 2HD PRO 30 3.620 19.349 5.846 247 H PHE 31 H PHE 31 7.836 17.485 4.413 248 HA PHE 31 HA PHE 31 8.926 15.928 6.267 249 1HB PHE 31 1HB PHE 31 11.044 16.021 4.666 250 2HB PHE 31 2HB PHE 31 9.535 15.267 4.192 251 HD1 PHE 31 1HD PHE 31 8.189 16.150 2.416 252 HD2 PHE 31 2HD PHE 31 11.624 18.301 3.834 253 HE1 PHE 31 1HE PHE 31 8.032 17.688 0.458 254 HE2 PHE 31 2HE PHE 31 11.477 19.830 1.866 255 HZ PHE 31 HZ PHE 31 9.642 19.557 0.222 256 H SER 32 H SER 32 10.686 15.752 7.614 257 HA SER 32 HA SER 32 11.868 18.346 8.373 258 1HB SER 32 1HB SER 32 10.805 17.075 10.155 259 2HB SER 32 2HB SER 32 11.863 15.718 9.828 260 HG SER 32 HG SER 32 12.615 17.014 11.575 261 H GLU 33 H GLU 33 12.961 17.840 6.114 262 HA GLU 33 HA GLU 33 15.694 17.596 6.592 263 1HB GLU 33 1HB GLU 33 14.403 15.032 6.423 264 2HB GLU 33 2HB GLU 33 15.554 15.229 5.118 265 1HG GLU 33 1HG GLU 33 16.601 16.196 7.655 266 2HG GLU 33 2HG GLU 33 16.156 14.503 7.730 267 H ASN 34 H ASN 34 16.723 16.605 4.272 268 HA ASN 34 HA ASN 34 16.530 18.577 2.420 269 1HB ASN 34 1HB ASN 34 16.876 15.629 1.999 270 2HB ASN 34 2HB ASN 34 17.032 16.792 0.698 271 1HD2 ASN 34 2HD2 ASN 34 18.786 18.084 0.532 272 2HD2 ASN 34 1HD2 ASN 34 20.199 17.911 1.549 273 H GLN 35 H GLN 35 14.836 15.478 1.899 274 HA GLN 35 HA GLN 35 12.312 16.719 1.432 275 1HB GLN 35 1HB GLN 35 14.074 16.804 -0.742 276 2HB GLN 35 2HB GLN 35 12.924 15.531 -1.099 277 1HG GLN 35 1HG GLN 35 11.597 17.189 -1.817 278 2HG GLN 35 2HG GLN 35 11.302 17.483 -0.115 279 1HE2 GLN 35 2HE2 GLN 35 10.800 19.617 -1.367 280 2HE2 GLN 35 1HE2 GLN 35 12.113 20.771 -1.434 281 H TRP 36 H TRP 36 10.737 15.267 1.734 282 HA TRP 36 HA TRP 36 11.574 12.430 1.766 283 1HB TRP 36 1HB TRP 36 10.722 13.538 3.874 284 2HB TRP 36 2HB TRP 36 9.151 13.544 3.098 285 HD1 TRP 36 HD TRP 36 9.274 10.575 1.856 286 HE1 TRP 36 1HE TRP 36 9.075 8.518 3.394 287 HE3 TRP 36 3HE TRP 36 10.651 12.855 6.199 288 HZ2 TRP 36 2HZ TRP 36 9.501 7.949 6.182 289 HZ3 TRP 36 3HZ TRP 36 10.747 11.502 8.283 290 HH2 TRP 36 HH TRP 36 10.193 9.106 8.291 291 H GLY 37 H GLY 37 11.322 12.022 -0.431 292 1HA GLY 37 1HA GLY 37 8.752 11.264 -1.280 293 2HA GLY 37 2HA GLY 37 9.125 12.826 -1.980 294 HA PRO 38 HA PRO 38 10.950 9.710 -4.735 295 1HB PRO 38 1HB PRO 38 9.946 10.751 -7.076 296 2HB PRO 38 2HB PRO 38 9.200 9.468 -6.147 297 1HG PRO 38 1HG PRO 38 8.395 12.286 -6.383 298 2HG PRO 38 2HG PRO 38 7.453 10.915 -5.835 299 1HD PRO 38 1HD PRO 38 8.687 12.921 -4.221 300 2HD PRO 38 2HD PRO 38 7.815 11.504 -3.669 301 H GLN 39 H GLN 39 11.319 12.886 -4.026 302 HA GLN 39 HA GLN 39 13.248 13.497 -6.122 303 1HB GLN 39 1HB GLN 39 11.785 14.972 -4.074 304 2HB GLN 39 2HB GLN 39 13.446 15.497 -4.273 305 1HG GLN 39 1HG GLN 39 12.952 16.520 -6.202 306 2HG GLN 39 2HG GLN 39 12.231 15.059 -6.844 307 1HE2 GLN 39 2HE2 GLN 39 10.336 15.571 -7.687 308 2HE2 GLN 39 1HE2 GLN 39 9.091 16.505 -6.889 309 H GLN 40 H GLN 40 13.259 13.259 -2.561 310 HA GLN 40 HA GLN 40 16.172 12.771 -2.710 311 1HB GLN 40 1HB GLN 40 14.588 14.343 -0.990 312 2HB GLN 40 2HB GLN 40 15.270 13.039 -0.038 313 1HG GLN 40 1HG GLN 40 16.811 14.856 0.022 314 2HG GLN 40 2HG GLN 40 17.499 13.609 -0.998 315 1HE2 GLN 40 2HE2 GLN 40 18.381 14.268 -2.806 316 2HE2 GLN 40 1HE2 GLN 40 17.925 15.692 -3.713 317 H GLY 41 H GLY 41 13.208 11.223 -2.227 318 1HA GLY 41 1HA GLY 41 14.596 8.784 -1.279 319 2HA GLY 41 2HA GLY 41 13.056 9.274 -0.602 320 HA PRO 42 HA PRO 42 12.033 8.096 -5.065 321 1HB PRO 42 1HB PRO 42 14.061 7.406 -6.788 322 2HB PRO 42 2HB PRO 42 13.334 8.997 -6.681 323 1HG PRO 42 1HG PRO 42 15.966 8.104 -5.735 324 2HG PRO 42 2HG PRO 42 15.393 9.735 -6.014 325 1HD PRO 42 1HD PRO 42 15.662 8.401 -3.507 326 2HD PRO 42 2HD PRO 42 15.019 10.007 -3.793 327 H SER 43 H SER 43 14.198 6.485 -3.100 328 HA SER 43 HA SER 43 13.815 3.864 -4.327 329 1HB SER 43 1HB SER 43 15.096 4.107 -1.682 330 2HB SER 43 2HB SER 43 15.551 3.129 -3.064 331 HG SER 43 HG SER 43 17.048 4.823 -2.657 332 H LEU 44 H LEU 44 11.415 4.215 -4.044 333 HA LEU 44 HA LEU 44 10.642 3.081 -1.425 334 1HB LEU 44 1HB LEU 44 9.918 5.648 -2.503 335 2HB LEU 44 2HB LEU 44 8.500 4.648 -2.256 336 HG LEU 44 HG LEU 44 10.499 4.902 -0.071 337 1HD1 LEU 44 1HD1 LEU 44 10.109 7.220 -0.752 338 2HD1 LEU 44 2HD1 LEU 44 8.334 6.942 -0.668 339 3HD1 LEU 44 3HD1 LEU 44 9.328 6.876 0.830 340 1HD2 LEU 44 1HD2 LEU 44 7.493 4.576 -0.117 341 2HD2 LEU 44 2HD2 LEU 44 8.700 3.275 0.167 342 3HD2 LEU 44 3HD2 LEU 44 8.523 4.611 1.357 343 H ARG 45 H ARG 45 9.807 3.687 -4.836 344 HA ARG 45 HA ARG 45 7.702 1.793 -4.965 345 1HB ARG 45 1HB ARG 45 9.040 3.533 -6.739 346 2HB ARG 45 2HB ARG 45 9.089 1.934 -7.451 347 1HG ARG 45 1HG ARG 45 7.063 3.302 -8.064 348 2HG ARG 45 2HG ARG 45 6.710 1.733 -7.370 349 1HD ARG 45 1HD ARG 45 5.551 2.683 -5.702 350 2HD ARG 45 2HD ARG 45 6.925 3.682 -5.270 351 HE ARG 45 HE ARG 45 4.589 4.483 -6.783 352 1HH1 ARG 45 1HH2 ARG 45 7.985 5.164 -6.209 353 2HH1 ARG 45 2HH2 ARG 45 7.854 6.815 -6.768 354 1HH2 ARG 45 1HH1 ARG 45 4.458 6.597 -7.509 355 2HH2 ARG 45 2HH1 ARG 45 5.878 7.618 -7.496 356 H GLU 46 H GLU 46 11.183 1.532 -5.455 357 HA GLU 46 HA GLU 46 11.031 -1.236 -6.278 358 1HB GLU 46 1HB GLU 46 13.071 0.804 -6.050 359 2HB GLU 46 2HB GLU 46 13.631 -0.739 -5.434 360 1HG GLU 46 1HG GLU 46 12.972 -1.829 -7.526 361 2HG GLU 46 2HG GLU 46 12.367 -0.305 -8.142 362 H GLN 47 H GLN 47 11.477 0.532 -3.280 363 HA GLN 47 HA GLN 47 12.274 -1.799 -1.771 364 1HB GLN 47 1HB GLN 47 12.142 1.012 -1.336 365 2HB GLN 47 2HB GLN 47 11.227 0.211 -0.075 366 1HG GLN 47 1HG GLN 47 13.249 -1.354 0.156 367 2HG GLN 47 2HG GLN 47 14.121 -0.175 -0.804 368 1HE2 GLN 47 2HE2 GLN 47 11.937 -0.348 2.012 369 2HE2 GLN 47 1HE2 GLN 47 12.771 0.855 2.971 370 H CYS 48 H CYS 48 9.249 -0.083 -2.454 371 HA CYS 48 HA CYS 48 7.691 -1.584 -0.576 372 1HB CYS 48 1HB CYS 48 6.564 0.287 -1.065 373 2HB CYS 48 2HB CYS 48 7.223 0.384 -2.685 374 H CYS 49 H CYS 49 8.719 -1.962 -3.921 375 HA CYS 49 HA CYS 49 6.972 -4.182 -4.434 376 1HB CYS 49 1HB CYS 49 8.725 -2.578 -5.917 377 2HB CYS 49 2HB CYS 49 9.281 -4.232 -6.078 378 H ASN 50 H ASN 50 9.430 -3.838 -2.302 379 HA ASN 50 HA ASN 50 10.195 -6.692 -2.488 380 1HB ASN 50 1HB ASN 50 11.868 -4.488 -2.571 381 2HB ASN 50 2HB ASN 50 11.940 -4.998 -0.895 382 1HD2 ASN 50 2HD2 ASN 50 11.642 -6.641 -4.040 383 2HD2 ASN 50 1HD2 ASN 50 12.970 -7.755 -3.799 384 H GLU 51 H GLU 51 9.428 -3.944 -0.413 385 HA GLU 51 HA GLU 51 9.452 -5.450 2.021 386 1HB GLU 51 1HB GLU 51 9.329 -3.441 2.979 387 2HB GLU 51 2HB GLU 51 9.436 -2.764 1.367 388 1HG GLU 51 1HG GLU 51 6.998 -2.762 1.196 389 2HG GLU 51 2HG GLU 51 6.880 -3.463 2.799 390 H LEU 52 H LEU 52 7.255 -5.077 -0.584 391 HA LEU 52 HA LEU 52 5.055 -6.082 1.100 392 1HB LEU 52 1HB LEU 52 3.657 -4.880 -0.110 393 2HB LEU 52 2HB LEU 52 5.092 -4.030 -0.646 394 HG LEU 52 HG LEU 52 3.907 -4.432 -2.578 395 1HD1 LEU 52 1HD1 LEU 52 6.233 -5.060 -2.890 396 2HD1 LEU 52 2HD1 LEU 52 5.842 -6.744 -2.391 397 3HD1 LEU 52 3HD1 LEU 52 5.147 -6.069 -3.907 398 1HD2 LEU 52 1HD2 LEU 52 3.413 -7.237 -1.593 399 2HD2 LEU 52 2HD2 LEU 52 2.227 -5.886 -1.648 400 3HD2 LEU 52 3HD2 LEU 52 2.877 -6.575 -3.176 401 H TYR 53 H TYR 53 7.440 -7.018 -1.098 402 HA TYR 53 HA TYR 53 5.919 -9.377 -2.033 403 1HB TYR 53 1HB TYR 53 7.409 -7.554 -3.392 404 2HB TYR 53 2HB TYR 53 8.587 -8.815 -3.092 405 HD1 TYR 53 1HD TYR 53 7.457 -11.298 -3.489 406 HD2 TYR 53 2HD TYR 53 6.410 -7.624 -5.470 407 HE1 TYR 53 1HE TYR 53 6.735 -12.593 -5.511 408 HE2 TYR 53 2HE TYR 53 5.564 -8.929 -7.429 409 HH TYR 53 HH TYR 53 5.162 -10.955 -8.263 410 H GLN 54 H GLN 54 7.333 -8.739 0.634 411 HA GLN 54 HA GLN 54 9.427 -10.789 0.605 412 1HB GLN 54 1HB GLN 54 9.656 -10.038 3.028 413 2HB GLN 54 2HB GLN 54 10.112 -8.894 1.782 414 1HG GLN 54 1HG GLN 54 8.145 -7.630 2.070 415 2HG GLN 54 2HG GLN 54 7.363 -8.908 2.981 416 1HE2 GLN 54 2HE2 GLN 54 7.485 -6.253 3.876 417 2HE2 GLN 54 1HE2 GLN 54 8.528 -6.170 5.278 418 H GLU 55 H GLU 55 6.210 -10.161 1.883 419 HA GLU 55 HA GLU 55 6.204 -12.653 3.378 420 1HB GLU 55 1HB GLU 55 4.070 -10.602 2.922 421 2HB GLU 55 2HB GLU 55 3.901 -12.008 3.951 422 1HG GLU 55 1HG GLU 55 6.164 -10.990 4.959 423 2HG GLU 55 2HG GLU 55 5.405 -9.514 4.395 424 H ASP 56 H ASP 56 6.404 -12.376 0.311 425 HA ASP 56 HA ASP 56 5.846 -13.841 -1.380 426 1HB ASP 56 1HB ASP 56 5.200 -15.379 0.666 427 2HB ASP 56 2HB ASP 56 3.571 -14.991 0.153 428 H GLN 57 H GLN 57 3.412 -14.619 -2.335 429 HA GLN 57 HA GLN 57 2.190 -12.034 -2.955 430 1HB GLN 57 1HB GLN 57 2.302 -14.696 -4.247 431 2HB GLN 57 2HB GLN 57 0.876 -13.722 -4.541 432 1HG GLN 57 1HG GLN 57 2.998 -13.513 -6.091 433 2HG GLN 57 2HG GLN 57 2.046 -12.102 -5.675 434 1HE2 GLN 57 2HE2 GLN 57 4.621 -14.074 -4.237 435 2HE2 GLN 57 1HE2 GLN 57 5.631 -12.739 -3.727 436 H VAL 58 H VAL 58 1.617 -14.970 -1.227 437 HA VAL 58 HA VAL 58 -1.229 -14.643 -0.997 438 HB VAL 58 HB VAL 58 0.277 -16.154 1.022 439 1HG1 VAL 58 1HG1 VAL 58 -2.159 -16.213 0.993 440 2HG1 VAL 58 2HG1 VAL 58 -2.124 -16.779 -0.714 441 3HG1 VAL 58 3HG1 VAL 58 -1.478 -17.828 0.596 442 1HG2 VAL 58 1HG2 VAL 58 0.149 -17.033 -1.874 443 2HG2 VAL 58 2HG2 VAL 58 1.636 -16.599 -0.961 444 3HG2 VAL 58 3HG2 VAL 58 0.684 -18.048 -0.489 445 H CYS 59 H CYS 59 1.327 -12.901 0.183 446 HA CYS 59 HA CYS 59 -0.306 -11.871 2.417 447 1HB CYS 59 1HB CYS 59 2.658 -11.954 2.201 448 2HB CYS 59 2HB CYS 59 1.738 -11.219 3.499 449 H VAL 60 H VAL 60 -0.304 -11.240 -0.460 450 HA VAL 60 HA VAL 60 0.615 -8.436 -0.328 451 HB VAL 60 HB VAL 60 0.236 -10.383 -2.515 452 1HG1 VAL 60 1HG1 VAL 60 -1.203 -8.540 -3.204 453 2HG1 VAL 60 2HG1 VAL 60 0.137 -7.383 -2.897 454 3HG1 VAL 60 3HG1 VAL 60 0.285 -8.603 -4.209 455 1HG2 VAL 60 1HG2 VAL 60 2.332 -8.308 -1.881 456 2HG2 VAL 60 2HG2 VAL 60 2.437 -10.073 -1.556 457 3HG2 VAL 60 3HG2 VAL 60 2.390 -9.472 -3.250 458 H CYS 61 H CYS 61 -2.122 -10.424 -0.131 459 HA CYS 61 HA CYS 61 -3.811 -8.305 0.515 460 1HB CYS 61 1HB CYS 61 -3.473 -8.379 -2.164 461 2HB CYS 61 2HB CYS 61 -4.915 -9.350 -1.948 462 HA PRO 62 HA PRO 62 -5.883 -8.051 0.637 463 1HB PRO 62 1HB PRO 62 -7.491 -8.058 2.850 464 2HB PRO 62 2HB PRO 62 -8.039 -8.358 1.213 465 1HG PRO 62 1HG PRO 62 -7.636 -10.267 3.408 466 2HG PRO 62 2HG PRO 62 -8.578 -10.457 1.943 467 1HD PRO 62 1HD PRO 62 -5.991 -11.542 2.481 468 2HD PRO 62 2HD PRO 62 -6.895 -11.655 0.985 469 H THR 63 H THR 63 -3.792 -9.726 2.313 470 HA THR 63 HA THR 63 -3.192 -8.548 4.689 471 HB THR 63 HB THR 63 -0.723 -8.824 3.788 472 HG1 THR 63 1HG THR 63 -0.882 -10.136 1.905 473 1HG2 THR 63 1HG2 THR 63 -1.945 -10.560 5.201 474 2HG2 THR 63 2HG2 THR 63 -2.659 -11.186 3.675 475 3HG2 THR 63 3HG2 THR 63 -0.882 -11.276 3.940 476 H LEU 64 H LEU 64 -2.650 -7.102 1.480 477 HA LEU 64 HA LEU 64 -1.450 -4.742 2.632 478 1HB LEU 64 1HB LEU 64 -1.945 -5.834 0.013 479 2HB LEU 64 2HB LEU 64 -2.308 -4.121 0.089 480 HG LEU 64 HG LEU 64 0.180 -4.602 1.372 481 1HD1 LEU 64 1HD1 LEU 64 0.355 -6.628 0.044 482 2HD1 LEU 64 2HD1 LEU 64 0.005 -5.681 -1.445 483 3HD1 LEU 64 3HD1 LEU 64 1.522 -5.384 -0.525 484 1HD2 LEU 64 1HD2 LEU 64 -0.540 -3.153 -1.191 485 2HD2 LEU 64 2HD2 LEU 64 -0.532 -2.453 0.465 486 3HD2 LEU 64 3HD2 LEU 64 1.009 -2.983 -0.294 487 H LYS 65 H LYS 65 -4.686 -5.801 1.789 488 HA LYS 65 HA LYS 65 -6.179 -3.575 1.603 489 1HB LYS 65 1HB LYS 65 -6.976 -5.957 1.804 490 2HB LYS 65 2HB LYS 65 -6.928 -5.729 3.539 491 1HG LYS 65 1HG LYS 65 -8.659 -4.201 3.523 492 2HG LYS 65 2HG LYS 65 -8.370 -3.737 1.859 493 1HD LYS 65 1HD LYS 65 -10.153 -5.047 1.406 494 2HD LYS 65 2HD LYS 65 -9.019 -6.371 1.580 495 1HE LYS 65 1HE LYS 65 -9.642 -6.662 3.899 496 2HE LYS 65 2HE LYS 65 -10.669 -5.244 3.838 497 1HZ LYS 65 1HZ LYS 65 -12.023 -6.353 2.220 498 2HZ LYS 65 2HZ LYS 65 -11.052 -7.694 2.276 499 3HZ LYS 65 3HZ LYS 65 -11.932 -7.251 3.607 500 H GLN 66 H GLN 66 -4.580 -4.671 4.553 501 HA GLN 66 HA GLN 66 -5.650 -2.545 6.153 502 1HB GLN 66 1HB GLN 66 -3.156 -3.767 7.027 503 2HB GLN 66 2HB GLN 66 -4.685 -3.605 7.866 504 1HG GLN 66 1HG GLN 66 -5.441 -5.439 6.136 505 2HG GLN 66 2HG GLN 66 -3.724 -5.783 6.092 506 1HE2 GLN 66 2HE2 GLN 66 -3.430 -7.588 7.170 507 2HE2 GLN 66 1HE2 GLN 66 -4.030 -7.905 8.783 508 H ALA 67 H ALA 67 -2.357 -3.214 4.904 509 HA ALA 67 HA ALA 67 -1.305 -0.692 5.544 510 1HB ALA 67 1HB ALA 67 0.066 -2.631 4.973 511 2HB ALA 67 2HB ALA 67 -0.586 -2.599 3.298 512 3HB ALA 67 3HB ALA 67 0.442 -1.248 3.887 513 H ALA 68 H ALA 68 -3.731 -1.447 3.306 514 HA ALA 68 HA ALA 68 -3.155 0.811 1.546 515 1HB ALA 68 1HB ALA 68 -3.813 -1.334 0.533 516 2HB ALA 68 2HB ALA 68 -5.328 -1.313 1.500 517 3HB ALA 68 3HB ALA 68 -5.055 -0.070 0.230 518 H LYS 69 H LYS 69 -5.908 -0.455 3.456 519 HA LYS 69 HA LYS 69 -7.318 2.009 3.448 520 1HB LYS 69 1HB LYS 69 -8.715 0.984 5.158 521 2HB LYS 69 2HB LYS 69 -8.426 -0.111 3.821 522 1HG LYS 69 1HG LYS 69 -6.408 -0.857 5.401 523 2HG LYS 69 2HG LYS 69 -7.512 -0.278 6.632 524 1HD LYS 69 1HD LYS 69 -8.358 -2.224 4.500 525 2HD LYS 69 2HD LYS 69 -7.690 -2.745 6.032 526 1HE LYS 69 1HE LYS 69 -9.793 -0.777 6.355 527 2HE LYS 69 2HE LYS 69 -10.346 -2.216 5.524 528 1HZ LYS 69 1HZ LYS 69 -9.446 -3.526 7.296 529 2HZ LYS 69 2HZ LYS 69 -8.924 -2.166 8.083 530 3HZ LYS 69 3HZ LYS 69 -10.545 -2.437 7.884 531 H SER 70 H SER 70 -5.141 0.528 5.823 532 HA SER 70 HA SER 70 -5.188 2.942 7.451 533 1HB SER 70 1HB SER 70 -4.214 0.176 7.810 534 2HB SER 70 2HB SER 70 -3.397 1.447 8.696 535 HG SER 70 HG SER 70 -5.121 0.523 9.883 536 H VAL 71 H VAL 71 -4.299 3.644 5.037 537 HA VAL 71 HA VAL 71 -1.357 3.637 5.224 538 HB VAL 71 HB VAL 71 -2.736 2.996 3.126 539 1HG1 VAL 71 1HG1 VAL 71 -4.119 4.987 3.050 540 2HG1 VAL 71 2HG1 VAL 71 -2.646 6.004 2.895 541 3HG1 VAL 71 3HG1 VAL 71 -3.092 4.863 1.580 542 1HG2 VAL 71 1HG2 VAL 71 -0.365 4.851 2.961 543 2HG2 VAL 71 2HG2 VAL 71 -0.312 3.067 3.174 544 3HG2 VAL 71 3HG2 VAL 71 -0.951 3.773 1.649 545 H ARG 72 H ARG 72 -4.201 5.730 5.071 546 HA ARG 72 HA ARG 72 -2.478 8.011 5.823 547 1HB ARG 72 1HB ARG 72 -4.723 7.743 3.970 548 2HB ARG 72 2HB ARG 72 -4.844 9.113 5.057 549 1HG ARG 72 1HG ARG 72 -2.204 9.159 4.222 550 2HG ARG 72 2HG ARG 72 -3.093 8.719 2.778 551 1HD ARG 72 1HD ARG 72 -4.357 10.875 4.277 552 2HD ARG 72 2HD ARG 72 -2.745 11.281 3.721 553 HE ARG 72 HE ARG 72 -3.456 11.155 1.496 554 1HH1 ARG 72 1HH2 ARG 72 -5.980 10.089 3.635 555 2HH1 ARG 72 2HH2 ARG 72 -7.204 10.120 2.386 556 1HH2 ARG 72 1HH1 ARG 72 -5.049 11.193 -0.108 557 2HH2 ARG 72 2HH1 ARG 72 -6.687 10.735 0.300 558 H VAL 73 H VAL 73 -5.099 5.937 6.697 559 HA VAL 73 HA VAL 73 -6.657 7.327 8.399 560 HB VAL 73 HB VAL 73 -6.591 4.851 7.902 561 1HG1 VAL 73 1HG1 VAL 73 -4.340 4.371 8.702 562 2HG1 VAL 73 2HG1 VAL 73 -4.826 4.869 10.360 563 3HG1 VAL 73 3HG1 VAL 73 -5.562 3.411 9.607 564 1HG2 VAL 73 1HG2 VAL 73 -7.217 5.806 10.707 565 2HG2 VAL 73 2HG2 VAL 73 -8.307 5.895 9.279 566 3HG2 VAL 73 3HG2 VAL 73 -7.838 4.295 9.954 567 H GLN 74 H GLN 74 -6.048 9.000 9.573 568 HA GLN 74 HA GLN 74 -4.691 8.664 12.004 569 1HB GLN 74 1HB GLN 74 -2.571 9.744 11.635 570 2HB GLN 74 2HB GLN 74 -2.698 8.313 10.633 571 1HG GLN 74 1HG GLN 74 -2.243 9.552 8.849 572 2HG GLN 74 2HG GLN 74 -3.727 10.445 9.120 573 1HE2 GLN 74 2HE2 GLN 74 -2.063 11.906 7.908 574 2HE2 GLN 74 1HE2 GLN 74 -1.175 13.002 8.942 575 H GLY 75 H GLY 75 -7.007 9.918 10.841 576 1HA GLY 75 1HA GLY 75 -7.292 12.173 12.368 577 2HA GLY 75 2HA GLY 75 -6.598 12.777 10.877 578 H GLN 76 H GLN 76 -9.305 13.102 12.120 579 HA GLN 76 HA GLN 76 -11.124 11.676 10.398 580 1HB GLN 76 1HB GLN 76 -12.828 13.158 11.375 581 2HB GLN 76 2HB GLN 76 -11.859 12.343 12.586 582 1HG GLN 76 1HG GLN 76 -10.636 14.843 11.884 583 2HG GLN 76 2HG GLN 76 -12.309 15.108 12.327 584 1HE2 GLN 76 2HE2 GLN 76 -9.880 15.926 13.691 585 2HE2 GLN 76 1HE2 GLN 76 -9.926 15.199 15.281 586 H HIS 77 H HIS 77 -10.100 12.170 8.363 587 HA HIS 77 HA HIS 77 -10.559 14.918 7.419 588 1HB HIS 77 1HB HIS 77 -9.374 13.758 5.346 589 2HB HIS 77 2HB HIS 77 -8.499 14.491 6.676 590 HD1 HIS 77 1HD HIS 77 -7.005 12.981 8.103 591 HD2 HIS 77 2HD HIS 77 -9.421 10.945 5.320 592 HE1 HIS 77 1HE HIS 77 -6.259 10.524 8.166 593 HE2 HIS 77 2HE HIS 77 -7.749 9.299 6.459 594 H GLY 78 H GLY 78 -12.152 12.014 7.604 595 1HA GLY 78 1HA GLY 78 -14.203 11.429 6.735 596 2HA GLY 78 2HA GLY 78 -14.187 12.874 5.745 597 HA PRO 79 HA PRO 79 -13.610 9.593 2.776 598 1HB PRO 79 1HB PRO 79 -14.871 10.888 0.699 599 2HB PRO 79 2HB PRO 79 -15.655 9.811 1.837 600 1HG PRO 79 1HG PRO 79 -15.790 12.741 1.672 601 2HG PRO 79 2HG PRO 79 -16.866 11.635 2.501 602 1HD PRO 79 1HD PRO 79 -14.834 13.256 3.667 603 2HD PRO 79 2HD PRO 79 -15.840 12.073 4.479 604 H PHE 80 H PHE 80 -11.639 9.372 1.979 605 HA PHE 80 HA PHE 80 -10.578 10.922 -0.107 606 1HB PHE 80 1HB PHE 80 -10.498 12.240 2.393 607 2HB PHE 80 2HB PHE 80 -8.861 11.730 2.036 608 HD1 PHE 80 1HD PHE 80 -7.889 12.348 -0.253 609 HD2 PHE 80 2HD PHE 80 -11.380 14.195 1.423 610 HE1 PHE 80 1HE PHE 80 -7.594 14.297 -1.783 611 HE2 PHE 80 2HE PHE 80 -11.107 16.133 -0.126 612 HZ PHE 80 HZ PHE 80 -9.204 16.181 -1.716 613 H GLN 81 H GLN 81 -9.755 9.329 2.964 614 HA GLN 81 HA GLN 81 -7.380 8.117 1.784 615 1HB GLN 81 1HB GLN 81 -6.776 7.498 3.924 616 2HB GLN 81 2HB GLN 81 -7.608 9.022 4.157 617 1HG GLN 81 1HG GLN 81 -8.876 7.972 5.666 618 2HG GLN 81 2HG GLN 81 -9.622 7.126 4.324 619 1HE2 GLN 81 2HE2 GLN 81 -9.918 5.612 6.242 620 2HE2 GLN 81 1HE2 GLN 81 -8.667 4.414 6.494 621 H SER 82 H SER 82 -9.876 7.431 0.556 622 HA SER 82 HA SER 82 -9.712 4.509 0.937 623 1HB SER 82 1HB SER 82 -11.691 5.649 2.198 624 2HB SER 82 2HB SER 82 -12.387 5.787 0.595 625 HG SER 82 HG SER 82 -13.006 3.853 1.655 626 H THR 83 H THR 83 -10.983 7.246 -0.948 627 HA THR 83 HA THR 83 -11.135 5.546 -3.328 628 HB THR 83 HB THR 83 -12.912 7.242 -2.710 629 HG1 THR 83 1HG THR 83 -13.025 7.849 -4.927 630 1HG2 THR 83 1HG2 THR 83 -11.370 9.151 -2.114 631 2HG2 THR 83 2HG2 THR 83 -10.823 9.176 -3.826 632 3HG2 THR 83 3HG2 THR 83 -12.528 9.575 -3.420 633 H ARG 84 H ARG 84 -9.404 8.448 -2.175 634 HA ARG 84 HA ARG 84 -7.831 8.759 -4.537 635 1HB ARG 84 1HB ARG 84 -8.269 10.216 -2.211 636 2HB ARG 84 2HB ARG 84 -6.584 9.748 -2.116 637 1HG ARG 84 1HG ARG 84 -6.720 11.857 -3.275 638 2HG ARG 84 2HG ARG 84 -6.273 10.621 -4.434 639 1HD ARG 84 1HD ARG 84 -9.137 10.819 -4.291 640 2HD ARG 84 2HD ARG 84 -8.452 12.404 -4.587 641 HE ARG 84 HE ARG 84 -7.291 10.355 -6.277 642 1HH1 ARG 84 1HH2 ARG 84 -10.005 12.545 -5.951 643 2HH1 ARG 84 2HH2 ARG 84 -10.327 12.577 -7.669 644 1HH2 ARG 84 1HH1 ARG 84 -7.720 10.409 -8.483 645 2HH2 ARG 84 2HH1 ARG 84 -9.044 11.377 -9.092 646 H ILE 85 H ILE 85 -7.009 7.636 -1.250 647 HA ILE 85 HA ILE 85 -4.442 6.767 -1.728 648 HB ILE 85 HB ILE 85 -6.587 5.863 0.103 649 1HG1 ILE 85 1HG1 ILE 85 -5.439 7.923 0.614 650 2HG1 ILE 85 2HG1 ILE 85 -5.021 6.705 1.801 651 1HG2 ILE 85 1HG2 ILE 85 -5.453 3.785 -0.475 652 2HG2 ILE 85 2HG2 ILE 85 -3.866 4.551 -0.118 653 3HG2 ILE 85 3HG2 ILE 85 -5.052 4.282 1.205 654 1HD1 ILE 85 1HD1 ILE 85 -2.889 6.263 0.631 655 2HD1 ILE 85 2HD1 ILE 85 -3.317 7.513 -0.588 656 3HD1 ILE 85 3HD1 ILE 85 -3.024 7.987 1.122 657 H TYR 86 H TYR 86 -7.457 5.045 -2.373 658 HA TYR 86 HA TYR 86 -6.248 2.663 -3.385 659 1HB TYR 86 1HB TYR 86 -8.907 3.985 -3.387 660 2HB TYR 86 2HB TYR 86 -8.638 2.651 -4.492 661 HD1 TYR 86 1HD TYR 86 -9.468 0.636 -3.770 662 HD2 TYR 86 2HD TYR 86 -7.807 3.362 -0.887 663 HE1 TYR 86 1HE TYR 86 -9.937 -1.015 -1.942 664 HE2 TYR 86 2HE TYR 86 -8.405 1.780 0.965 665 HH TYR 86 HH TYR 86 -9.193 -0.210 1.465 666 H GLN 87 H GLN 87 -7.524 5.624 -4.899 667 HA GLN 87 HA GLN 87 -7.314 4.886 -7.567 668 1HB GLN 87 1HB GLN 87 -8.122 7.106 -6.323 669 2HB GLN 87 2HB GLN 87 -6.540 7.645 -6.851 670 1HG GLN 87 1HG GLN 87 -8.481 6.318 -8.719 671 2HG GLN 87 2HG GLN 87 -8.486 8.049 -8.450 672 1HE2 GLN 87 2HE2 GLN 87 -7.989 6.660 -10.932 673 2HE2 GLN 87 1HE2 GLN 87 -6.367 7.082 -11.433 674 H ILE 88 H ILE 88 -4.811 5.466 -5.253 675 HA ILE 88 HA ILE 88 -2.813 5.484 -7.425 676 HB ILE 88 HB ILE 88 -2.738 6.426 -4.592 677 1HG1 ILE 88 1HG1 ILE 88 -1.828 8.192 -6.729 678 2HG1 ILE 88 2HG1 ILE 88 -3.508 7.716 -6.886 679 1HG2 ILE 88 1HG2 ILE 88 -0.639 5.267 -5.044 680 2HG2 ILE 88 2HG2 ILE 88 -0.440 6.223 -6.553 681 3HG2 ILE 88 3HG2 ILE 88 -0.383 7.045 -4.955 682 1HD1 ILE 88 1HD1 ILE 88 -3.957 8.453 -4.565 683 2HD1 ILE 88 2HD1 ILE 88 -2.233 8.941 -4.405 684 3HD1 ILE 88 3HD1 ILE 88 -3.307 9.798 -5.566 685 H ALA 89 H ALA 89 -3.907 3.849 -4.518 686 HA ALA 89 HA ALA 89 -1.766 1.904 -4.585 687 1HB ALA 89 1HB ALA 89 -2.736 2.601 -2.456 688 2HB ALA 89 2HB ALA 89 -4.346 2.013 -2.999 689 3HB ALA 89 3HB ALA 89 -3.005 0.845 -2.733 690 H LYS 90 H LYS 90 -4.162 2.432 -6.669 691 HA LYS 90 HA LYS 90 -5.147 -0.302 -6.930 692 1HB LYS 90 1HB LYS 90 -6.556 0.596 -8.683 693 2HB LYS 90 2HB LYS 90 -6.692 1.570 -7.233 694 1HG LYS 90 1HG LYS 90 -6.238 3.357 -8.477 695 2HG LYS 90 2HG LYS 90 -4.620 2.724 -8.701 696 1HD LYS 90 1HD LYS 90 -5.098 1.863 -10.785 697 2HD LYS 90 2HD LYS 90 -6.806 1.689 -10.437 698 1HE LYS 90 1HE LYS 90 -6.327 3.496 -12.072 699 2HE LYS 90 2HE LYS 90 -7.139 4.074 -10.632 700 1HZ LYS 90 1HZ LYS 90 -5.029 4.767 -9.779 701 2HZ LYS 90 2HZ LYS 90 -4.262 4.221 -11.141 702 3HZ LYS 90 3HZ LYS 90 -5.326 5.486 -11.242 703 H ASN 91 H ASN 91 -2.853 1.938 -8.350 704 HA ASN 91 HA ASN 91 -2.196 0.076 -10.500 705 1HB ASN 91 1HB ASN 91 -1.724 2.863 -9.900 706 2HB ASN 91 2HB ASN 91 -0.260 2.050 -10.413 707 1HD2 ASN 91 2HD2 ASN 91 -3.535 2.917 -11.245 708 2HD2 ASN 91 1HD2 ASN 91 -3.392 2.673 -12.971 709 H LEU 92 H LEU 92 -1.803 -0.418 -7.477 710 HA LEU 92 HA LEU 92 1.064 -0.604 -7.194 711 1HB LEU 92 1HB LEU 92 -1.291 -0.993 -5.562 712 2HB LEU 92 2HB LEU 92 -0.074 -2.222 -5.284 713 HG LEU 92 HG LEU 92 0.458 0.714 -5.158 714 1HD1 LEU 92 1HD1 LEU 92 -1.176 0.147 -3.440 715 2HD1 LEU 92 2HD1 LEU 92 -0.129 -1.205 -2.888 716 3HD1 LEU 92 3HD1 LEU 92 0.427 0.494 -2.702 717 1HD2 LEU 92 1HD2 LEU 92 2.076 -1.672 -4.227 718 2HD2 LEU 92 2HD2 LEU 92 2.439 -0.621 -5.639 719 3HD2 LEU 92 3HD2 LEU 92 2.516 0.053 -3.974 720 HA PRO 93 HA PRO 93 0.310 -5.182 -7.967 721 1HB PRO 93 1HB PRO 93 -2.205 -6.071 -8.649 722 2HB PRO 93 2HB PRO 93 -1.542 -6.093 -7.028 723 1HG PRO 93 1HG PRO 93 -3.577 -4.303 -8.165 724 2HG PRO 93 2HG PRO 93 -3.218 -4.634 -6.483 725 1HD PRO 93 1HD PRO 93 -2.455 -2.349 -7.992 726 2HD PRO 93 2HD PRO 93 -2.019 -2.725 -6.337 727 H ASN 94 H ASN 94 -0.523 -2.641 -9.832 728 HA ASN 94 HA ASN 94 -0.624 -4.165 -12.352 729 1HB ASN 94 1HB ASN 94 -1.111 -1.293 -11.625 730 2HB ASN 94 2HB ASN 94 -0.973 -1.828 -13.288 731 1HD2 ASN 94 2HD2 ASN 94 -3.221 -0.561 -12.246 732 2HD2 ASN 94 1HD2 ASN 94 -4.556 -1.692 -12.241 733 H VAL 95 H VAL 95 1.152 -1.597 -10.681 734 HA VAL 95 HA VAL 95 3.285 -1.757 -12.712 735 HB VAL 95 HB VAL 95 3.167 0.151 -10.415 736 1HG1 VAL 95 1HG1 VAL 95 5.298 0.022 -11.625 737 2HG1 VAL 95 2HG1 VAL 95 4.430 0.316 -13.171 738 3HG1 VAL 95 3HG1 VAL 95 4.486 1.601 -11.913 739 1HG2 VAL 95 1HG2 VAL 95 1.882 0.505 -13.147 740 2HG2 VAL 95 2HG2 VAL 95 1.011 0.336 -11.584 741 3HG2 VAL 95 3HG2 VAL 95 2.036 1.781 -11.890 742 H CYS 96 H CYS 96 2.431 -2.944 -9.680 743 HA CYS 96 HA CYS 96 5.175 -3.899 -9.224 744 1HB CYS 96 1HB CYS 96 3.552 -2.296 -7.433 745 2HB CYS 96 2HB CYS 96 4.110 -3.791 -6.707 746 H ASN 97 H ASN 97 3.137 -5.155 -10.723 747 HA ASN 97 HA ASN 97 1.381 -6.862 -9.731 748 1HB ASN 97 1HB ASN 97 3.569 -7.308 -11.675 749 2HB ASN 97 2HB ASN 97 2.657 -8.703 -11.135 750 1HD2 ASN 97 2HD2 ASN 97 2.352 -5.463 -12.447 751 2HD2 ASN 97 1HD2 ASN 97 0.900 -5.758 -13.377 752 H MET 98 H MET 98 1.400 -7.553 -7.659 753 HA MET 98 HA MET 98 3.633 -9.324 -6.888 754 1HB MET 98 1HB MET 98 3.547 -8.444 -4.613 755 2HB MET 98 2HB MET 98 4.008 -7.212 -5.771 756 1HG MET 98 1HG MET 98 1.195 -7.174 -5.614 757 2HG MET 98 2HG MET 98 1.793 -7.232 -3.969 758 1HE MET 98 1HE MET 98 0.111 -4.799 -4.720 759 2HE MET 98 2HE MET 98 1.013 -4.929 -3.169 760 3HE MET 98 3HE MET 98 1.141 -3.435 -4.161 761 H LYS 99 H LYS 99 0.834 -9.648 -7.961 762 HA LYS 99 HA LYS 99 0.107 -11.842 -6.285 763 1HB LYS 99 1HB LYS 99 -0.769 -10.209 -4.809 764 2HB LYS 99 2HB LYS 99 -1.539 -9.345 -6.123 765 1HG LYS 99 1HG LYS 99 -2.591 -11.874 -6.359 766 2HG LYS 99 2HG LYS 99 -2.472 -11.662 -4.625 767 1HD LYS 99 1HD LYS 99 -3.862 -9.805 -6.552 768 2HD LYS 99 2HD LYS 99 -4.641 -10.881 -5.408 769 1HE LYS 99 1HE LYS 99 -4.623 -9.144 -3.987 770 2HE LYS 99 2HE LYS 99 -2.903 -9.441 -3.828 771 1HZ LYS 99 1HZ LYS 99 -2.520 -7.906 -5.608 772 2HZ LYS 99 2HZ LYS 99 -4.145 -7.626 -5.760 773 3HZ LYS 99 3HZ LYS 99 -3.351 -7.171 -4.380 774 H GLN 100 H GLN 100 0.679 -12.496 -8.510 775 HA GLN 100 HA GLN 100 -1.189 -11.870 -10.612 776 1HB GLN 100 1HB GLN 100 1.303 -12.869 -10.602 777 2HB GLN 100 2HB GLN 100 0.391 -14.354 -10.783 778 1HG GLN 100 1HG GLN 100 -0.198 -11.959 -12.492 779 2HG GLN 100 2HG GLN 100 1.080 -13.078 -12.921 780 1HE2 GLN 100 2HE2 GLN 100 -0.695 -12.897 -14.793 781 2HE2 GLN 100 1HE2 GLN 100 -1.794 -14.257 -14.811 782 H ILE 101 H ILE 101 -0.935 -14.324 -8.141 783 HA ILE 101 HA ILE 101 -2.660 -16.250 -9.095 784 HB ILE 101 HB ILE 101 -1.586 -16.796 -7.153 785 1HG1 ILE 101 1HG1 ILE 101 -3.247 -17.410 -5.568 786 2HG1 ILE 101 2HG1 ILE 101 -4.305 -16.111 -6.083 787 1HG2 ILE 101 1HG2 ILE 101 -0.917 -14.561 -6.447 788 2HG2 ILE 101 2HG2 ILE 101 -2.593 -14.235 -5.880 789 3HG2 ILE 101 3HG2 ILE 101 -1.593 -15.486 -5.061 790 1HD1 ILE 101 1HD1 ILE 101 -4.549 -17.163 -8.309 791 2HD1 ILE 101 2HD1 ILE 101 -3.465 -18.497 -7.780 792 3HD1 ILE 101 3HD1 ILE 101 -5.069 -18.275 -6.997 793 H GLY 102 H GLY 102 -3.856 -13.995 -6.616 794 1HA GLY 102 1HA GLY 102 -5.744 -12.492 -7.438 795 2HA GLY 102 2HA GLY 102 -6.441 -13.974 -8.063 796 H THR 103 H THR 103 -4.975 -12.794 -5.034 797 HA THR 103 HA THR 103 -6.883 -14.401 -3.499 798 HB THR 103 HB THR 103 -4.530 -14.390 -2.828 799 HG1 THR 103 1HG THR 103 -5.010 -13.820 -0.649 800 1HG2 THR 103 1HG2 THR 103 -3.961 -12.038 -3.501 801 2HG2 THR 103 2HG2 THR 103 -5.017 -11.451 -2.170 802 3HG2 THR 103 3HG2 THR 103 -3.534 -12.391 -1.791 803 H CYS 104 H CYS 104 -5.909 -10.975 -3.716 804 HA CYS 104 HA CYS 104 -8.658 -10.173 -3.159 805 1HB CYS 104 1HB CYS 104 -8.225 -9.842 -1.019 806 2HB CYS 104 2HB CYS 104 -6.490 -9.876 -1.260 807 HA PRO 105 HA PRO 105 -6.505 -7.817 -6.374 808 1HB PRO 105 1HB PRO 105 -8.409 -8.149 -8.336 809 2HB PRO 105 2HB PRO 105 -6.977 -9.139 -8.150 810 1HG PRO 105 1HG PRO 105 -9.771 -9.795 -7.519 811 2HG PRO 105 2HG PRO 105 -8.411 -10.876 -7.746 812 1HD PRO 105 1HD PRO 105 -9.576 -10.069 -5.272 813 2HD PRO 105 2HD PRO 105 -8.158 -11.073 -5.497 814 H PHE 106 H PHE 106 -7.083 -5.810 -7.402 815 HA PHE 106 HA PHE 106 -9.631 -4.580 -6.899 816 1HB PHE 106 1HB PHE 106 -9.299 -4.021 -4.758 817 2HB PHE 106 2HB PHE 106 -7.629 -4.548 -4.818 818 HD1 PHE 106 1HD PHE 106 -6.039 -2.975 -4.251 819 HD2 PHE 106 2HD PHE 106 -9.677 -1.702 -6.146 820 HE1 PHE 106 1HE PHE 106 -5.299 -0.597 -4.105 821 HE2 PHE 106 2HE PHE 106 -8.849 0.651 -6.150 822 HZ PHE 106 HZ PHE 106 -6.722 1.195 -5.021 823 H ILE 107 H ILE 107 -9.866 -2.759 -8.095 824 HA ILE 107 HA ILE 107 -7.927 -0.898 -8.759 825 HB ILE 107 HB ILE 107 -7.782 -1.787 -11.281 826 1HG1 ILE 107 1HG1 ILE 107 -7.162 -4.332 -9.897 827 2HG1 ILE 107 2HG1 ILE 107 -8.841 -3.996 -10.265 828 1HG2 ILE 107 1HG2 ILE 107 -5.930 -0.913 -9.975 829 2HG2 ILE 107 2HG2 ILE 107 -5.860 -2.448 -9.039 830 3HG2 ILE 107 3HG2 ILE 107 -5.459 -2.443 -10.793 831 1HD1 ILE 107 1HD1 ILE 107 -8.278 -3.652 -12.627 832 2HD1 ILE 107 2HD1 ILE 107 -6.555 -3.995 -12.250 833 3HD1 ILE 107 3HD1 ILE 107 -7.791 -5.287 -12.062 834 H ALA 108 H ALA 108 -10.626 -2.813 -10.006 835 HA ALA 108 HA ALA 108 -11.738 -0.745 -11.605 836 1HB ALA 108 1HB ALA 108 -12.264 -3.107 -11.952 837 2HB ALA 108 2HB ALA 108 -13.026 -3.175 -10.325 838 3HB ALA 108 3HB ALA 108 -13.761 -2.166 -11.621 839 H ILE 109 H ILE 109 -11.380 1.030 -10.078 840 HA ILE 109 HA ILE 109 -13.568 1.240 -8.110 841 HB ILE 109 HB ILE 109 -12.118 2.851 -6.923 842 1HG1 ILE 109 1HG1 ILE 109 -9.747 1.720 -8.301 843 2HG1 ILE 109 2HG1 ILE 109 -10.599 3.059 -9.043 844 1HG2 ILE 109 1HG2 ILE 109 -12.417 0.589 -6.083 845 2HG2 ILE 109 2HG2 ILE 109 -11.094 0.010 -7.155 846 3HG2 ILE 109 3HG2 ILE 109 -10.729 1.144 -5.809 847 1HD1 ILE 109 1HD1 ILE 109 -10.341 4.393 -6.987 848 2HD1 ILE 109 2HD1 ILE 109 -9.466 3.019 -6.225 849 3HD1 ILE 109 3HD1 ILE 109 -8.749 3.868 -7.637
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