NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
2651 | 1cdn | 327 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Orig H atom name Start of MODEL 1 Raw file had 599 H/Q atoms Start of MODEL 1 1 1H LYS 1 1H LYS 1 -8.268 -10.647 -4.866 2 2H LYS 1 2H LYS 1 -7.160 -9.405 -4.625 3 3H LYS 1 3H LYS 1 -7.473 -10.504 -3.391 4 HA LYS 1 HA LYS 1 -9.694 -9.739 -3.183 5 1HB LYS 1 1HB LYS 1 -7.772 -7.400 -3.140 6 2HB LYS 1 2HB LYS 1 -9.288 -7.597 -2.266 7 1HG LYS 1 1HG LYS 1 -7.869 -8.113 -0.581 8 2HG LYS 1 2HG LYS 1 -8.172 -9.736 -1.231 9 1HD LYS 1 1HD LYS 1 -6.079 -9.530 -2.578 10 2HD LYS 1 2HD LYS 1 -5.830 -7.903 -1.913 11 1HE LYS 1 1HE LYS 1 -5.693 -8.895 0.385 12 2HE LYS 1 2HE LYS 1 -5.884 -10.512 -0.312 13 1HZ LYS 1 1HZ LYS 1 -3.700 -8.654 -0.959 14 2HZ LYS 1 2HZ LYS 1 -3.574 -9.899 0.101 15 3HZ LYS 1 3HZ LYS 1 -3.858 -10.200 -1.493 16 H SER 2 H SER 2 -11.408 -8.392 -4.019 17 HA SER 2 HA SER 2 -11.406 -8.106 -6.855 18 1HB SER 2 1HB SER 2 -13.595 -6.989 -6.501 19 2HB SER 2 2HB SER 2 -13.464 -8.470 -5.550 20 HG SER 2 HG SER 2 -13.111 -7.274 -3.732 21 HA PRO 3 HA PRO 3 -9.709 -3.981 -7.580 22 1HB PRO 3 1HB PRO 3 -12.406 -3.499 -8.889 23 2HB PRO 3 2HB PRO 3 -10.791 -2.968 -9.446 24 1HG PRO 3 1HG PRO 3 -11.905 -5.182 -10.532 25 2HG PRO 3 2HG PRO 3 -10.191 -5.228 -10.025 26 1HD PRO 3 1HD PRO 3 -12.601 -6.315 -8.563 27 2HD PRO 3 2HD PRO 3 -10.985 -7.047 -8.796 28 H GLU 4 H GLU 4 -13.134 -4.212 -6.518 29 HA GLU 4 HA GLU 4 -13.385 -1.709 -5.258 30 1HB GLU 4 1HB GLU 4 -14.737 -4.324 -4.563 31 2HB GLU 4 2HB GLU 4 -15.213 -2.695 -4.056 32 1HG GLU 4 1HG GLU 4 -16.446 -2.625 -5.911 33 2HG GLU 4 2HG GLU 4 -14.973 -2.307 -6.790 34 H GLU 5 H GLU 5 -12.233 -4.825 -3.959 35 HA GLU 5 HA GLU 5 -11.899 -3.853 -1.234 36 1HB GLU 5 1HB GLU 5 -10.884 -6.261 -2.770 37 2HB GLU 5 2HB GLU 5 -10.398 -5.938 -1.095 38 1HG GLU 5 1HG GLU 5 -12.639 -6.122 -0.284 39 2HG GLU 5 2HG GLU 5 -13.325 -6.101 -1.911 40 H LEU 6 H LEU 6 -9.823 -4.225 -4.084 41 HA LEU 6 HA LEU 6 -7.412 -3.257 -2.890 42 1HB LEU 6 1HB LEU 6 -8.386 -3.282 -5.766 43 2HB LEU 6 2HB LEU 6 -6.786 -2.806 -5.249 44 HG LEU 6 HG LEU 6 -8.064 -5.567 -4.901 45 1HD1 LEU 6 3HD1 LEU 6 -7.191 -4.976 -7.183 46 2HD1 LEU 6 1HD1 LEU 6 -5.598 -4.706 -6.423 47 3HD1 LEU 6 2HD1 LEU 6 -6.324 -6.324 -6.416 48 1HD2 LEU 6 3HD2 LEU 6 -5.360 -4.558 -3.923 49 2HD2 LEU 6 1HD2 LEU 6 -6.667 -5.266 -2.935 50 3HD2 LEU 6 2HD2 LEU 6 -5.805 -6.269 -4.090 51 H LYS 7 H LYS 7 -10.044 -1.515 -4.528 52 HA LYS 7 HA LYS 7 -8.889 1.061 -4.219 53 1HB LYS 7 1HB LYS 7 -10.951 0.535 -5.556 54 2HB LYS 7 2HB LYS 7 -11.852 0.300 -4.076 55 1HG LYS 7 1HG LYS 7 -12.279 2.482 -5.079 56 2HG LYS 7 2HG LYS 7 -11.656 2.610 -3.434 57 1HD LYS 7 1HD LYS 7 -9.437 3.235 -4.236 58 2HD LYS 7 2HD LYS 7 -9.901 2.906 -5.910 59 1HE LYS 7 1HE LYS 7 -11.150 5.069 -4.152 60 2HE LYS 7 2HE LYS 7 -9.834 5.333 -5.307 61 1HZ LYS 7 3HZ LYS 7 -11.278 4.569 -7.048 62 2HZ LYS 7 1HZ LYS 7 -12.520 4.372 -5.983 63 3HZ LYS 7 2HZ LYS 7 -11.915 5.876 -6.271 64 H GLY 8 H GLY 8 -11.012 -0.782 -2.070 65 1HA GLY 8 1HA GLY 8 -11.236 1.019 0.096 66 2HA GLY 8 2HA GLY 8 -11.202 -0.748 0.257 67 H ILE 9 H ILE 9 -8.768 -1.462 -0.481 68 HA ILE 9 HA ILE 9 -6.992 -0.954 1.668 69 HB ILE 9 HB ILE 9 -6.728 -2.202 -1.037 70 1HG1 ILE 9 1HG1 ILE 9 -8.198 -3.144 0.755 71 2HG1 ILE 9 2HG1 ILE 9 -6.933 -4.244 0.179 72 1HG2 ILE 9 1HG2 ILE 9 -4.572 -2.093 1.061 73 2HG2 ILE 9 2HG2 ILE 9 -4.619 -3.221 -0.311 74 3HG2 ILE 9 3HG2 ILE 9 -4.512 -1.481 -0.599 75 1HD1 ILE 9 3HD1 ILE 9 -5.656 -3.631 2.326 76 2HD1 ILE 9 1HD1 ILE 9 -7.106 -2.758 2.848 77 3HD1 ILE 9 2HD1 ILE 9 -7.182 -4.492 2.552 78 H PHE 10 H PHE 10 -6.839 0.204 -1.742 79 HA PHE 10 HA PHE 10 -4.580 1.819 -1.578 80 1HB PHE 10 1HB PHE 10 -5.888 1.253 -3.642 81 2HB PHE 10 2HB PHE 10 -7.160 2.311 -3.121 82 HD1 PHE 10 HD1 PHE 10 -6.749 4.816 -2.897 83 HD2 PHE 10 HD2 PHE 10 -3.882 2.137 -4.713 84 HE1 PHE 10 HE1 PHE 10 -5.440 6.733 -3.663 85 HE2 PHE 10 HE2 PHE 10 -2.650 4.099 -5.615 86 HZ PHE 10 HZ PHE 10 -3.370 6.386 -5.027 87 H GLU 11 H GLU 11 -7.980 2.677 -0.879 88 HA GLU 11 HA GLU 11 -7.507 5.397 -0.139 89 1HB GLU 11 1HB GLU 11 -9.755 3.454 0.515 90 2HB GLU 11 2HB GLU 11 -9.767 5.161 0.983 91 1HG GLU 11 1HG GLU 11 -9.634 5.889 -1.330 92 2HG GLU 11 2HG GLU 11 -9.455 4.231 -1.907 93 H LYS 12 H LYS 12 -7.895 2.428 1.871 94 HA LYS 12 HA LYS 12 -7.540 3.461 4.423 95 1HB LYS 12 1HB LYS 12 -8.004 1.161 4.237 96 2HB LYS 12 2HB LYS 12 -6.660 0.852 3.138 97 1HG LYS 12 1HG LYS 12 -5.005 1.078 4.829 98 2HG LYS 12 2HG LYS 12 -6.227 1.609 6.028 99 1HD LYS 12 1HD LYS 12 -7.330 -0.664 5.727 100 2HD LYS 12 2HD LYS 12 -6.000 -1.097 4.634 101 1HE LYS 12 1HE LYS 12 -4.409 -0.495 6.594 102 2HE LYS 12 2HE LYS 12 -5.858 -0.459 7.612 103 1HZ LYS 12 3HZ LYS 12 -6.259 -2.749 6.895 104 2HZ LYS 12 1HZ LYS 12 -4.827 -2.732 6.066 105 3HZ LYS 12 2HZ LYS 12 -4.831 -2.572 7.701 106 H TYR 13 H TYR 13 -4.895 2.333 2.253 107 HA TYR 13 HA TYR 13 -2.942 3.210 4.216 108 1HB TYR 13 1HB TYR 13 -2.696 2.080 1.428 109 2HB TYR 13 2HB TYR 13 -1.309 2.542 2.416 110 HD1 TYR 13 HD1 TYR 13 -1.040 1.582 4.723 111 HD2 TYR 13 HD2 TYR 13 -3.952 0.022 2.024 112 HE1 TYR 13 HE1 TYR 13 -1.101 -0.556 6.009 113 HE2 TYR 13 HE2 TYR 13 -3.968 -2.135 3.193 114 HH TYR 13 HH TYR 13 -1.862 -2.847 5.936 115 H ALA 14 H ALA 14 -4.102 4.575 1.148 116 HA ALA 14 HA ALA 14 -2.257 6.745 0.998 117 1HB ALA 14 3HB ALA 14 -3.821 5.963 -0.809 118 2HB ALA 14 1HB ALA 14 -5.158 6.714 0.079 119 3HB ALA 14 2HB ALA 14 -3.824 7.692 -0.577 120 H ALA 15 H ALA 15 -5.541 6.654 2.327 121 HA ALA 15 HA ALA 15 -5.611 9.213 3.474 122 1HB ALA 15 3HB ALA 15 -7.598 7.774 3.172 123 2HB ALA 15 1HB ALA 15 -7.007 6.694 4.463 124 3HB ALA 15 2HB ALA 15 -7.459 8.366 4.841 125 H LYS 16 H LYS 16 -4.318 6.122 4.808 126 HA LYS 16 HA LYS 16 -3.964 6.933 7.443 127 1HB LYS 16 1HB LYS 16 -3.611 4.648 6.476 128 2HB LYS 16 2HB LYS 16 -2.013 5.175 5.907 129 1HG LYS 16 1HG LYS 16 -1.410 5.706 8.282 130 2HG LYS 16 2HG LYS 16 -2.985 5.106 8.801 131 1HD LYS 16 1HD LYS 16 -0.757 3.540 7.416 132 2HD LYS 16 2HD LYS 16 -1.239 3.401 9.109 133 1HE LYS 16 1HE LYS 16 -2.842 2.526 6.659 134 2HE LYS 16 2HE LYS 16 -2.123 1.500 7.901 135 1HZ LYS 16 3HZ LYS 16 -3.621 2.477 9.493 136 2HZ LYS 16 1HZ LYS 16 -4.308 3.408 8.319 137 3HZ LYS 16 2HZ LYS 16 -4.446 1.769 8.252 138 H GLU 17 H GLU 17 -1.964 7.764 4.596 139 HA GLU 17 HA GLU 17 -0.035 9.272 6.266 140 1HB GLU 17 1HB GLU 17 0.728 8.274 4.195 141 2HB GLU 17 2HB GLU 17 -0.442 9.224 3.250 142 1HG GLU 17 1HG GLU 17 0.710 11.322 4.237 143 2HG GLU 17 2HG GLU 17 1.950 10.229 4.862 144 H GLY 18 H GLY 18 -2.623 9.899 3.914 145 1HA GLY 18 1HA GLY 18 -4.148 11.725 5.176 146 2HA GLY 18 2HA GLY 18 -2.790 12.762 4.696 147 H ASP 19 H ASP 19 -2.057 11.919 2.245 148 HA ASP 19 HA ASP 19 -4.010 13.067 0.542 149 1HB ASP 19 1HB ASP 19 -1.581 12.950 0.033 150 2HB ASP 19 2HB ASP 19 -1.727 11.206 -0.238 151 HA PRO 20 HA PRO 20 -6.428 9.230 0.554 152 1HB PRO 20 1HB PRO 20 -8.616 10.060 -0.855 153 2HB PRO 20 2HB PRO 20 -8.297 10.583 0.834 154 1HG PRO 20 1HG PRO 20 -7.740 12.060 -1.753 155 2HG PRO 20 2HG PRO 20 -8.481 12.703 -0.262 156 1HD PRO 20 1HD PRO 20 -5.827 13.033 -0.863 157 2HD PRO 20 2HD PRO 20 -6.402 12.839 0.818 158 H ASN 21 H ASN 21 -5.535 10.991 -2.398 159 HA ASN 21 HA ASN 21 -6.663 8.922 -4.187 160 1HB ASN 21 1HB ASN 21 -5.567 11.731 -4.603 161 2HB ASN 21 2HB ASN 21 -6.160 10.684 -5.892 162 1HD2 ASN 21 1HD2 ASN 21 -8.829 13.069 -4.533 163 2HD2 ASN 21 2HD2 ASN 21 -7.140 13.356 -4.911 164 H GLN 22 H GLN 22 -3.591 9.851 -2.868 165 HA GLN 22 HA GLN 22 -2.134 8.454 -5.063 166 1HB GLN 22 1HB GLN 22 -2.345 11.130 -4.937 167 2HB GLN 22 2HB GLN 22 -1.143 10.938 -3.691 168 1HG GLN 22 1HG GLN 22 0.105 11.269 -5.672 169 2HG GLN 22 2HG GLN 22 0.137 9.495 -5.497 170 1HE2 GLN 22 1HE2 GLN 22 -0.633 10.004 -9.050 171 2HE2 GLN 22 2HE2 GLN 22 0.740 9.918 -7.988 172 H LEU 23 H LEU 23 -0.724 6.896 -4.260 173 HA LEU 23 HA LEU 23 -0.175 6.762 -1.359 174 1HB LEU 23 1HB LEU 23 0.398 4.893 -3.674 175 2HB LEU 23 2HB LEU 23 0.820 4.614 -1.996 176 HG LEU 23 HG LEU 23 -2.064 5.018 -2.824 177 1HD1 LEU 23 3HD1 LEU 23 -1.077 3.104 -4.095 178 2HD1 LEU 23 1HD1 LEU 23 -0.460 2.435 -2.573 179 3HD1 LEU 23 2HD1 LEU 23 -2.204 2.527 -2.841 180 1HD2 LEU 23 1HD2 LEU 23 -1.451 5.165 -0.378 181 2HD2 LEU 23 2HD2 LEU 23 -2.537 3.815 -0.759 182 3HD2 LEU 23 3HD2 LEU 23 -0.816 3.507 -0.491 183 H SER 24 H SER 24 1.804 7.431 -0.548 184 HA SER 24 HA SER 24 4.082 7.924 -2.339 185 1HB SER 24 1HB SER 24 5.122 8.920 -0.566 186 2HB SER 24 2HB SER 24 3.459 9.164 -0.043 187 HG SER 24 HG SER 24 3.962 7.986 1.642 188 H LYS 25 H LYS 25 6.241 6.838 -1.429 189 HA LYS 25 HA LYS 25 6.083 4.068 -1.897 190 1HB LYS 25 1HB LYS 25 8.173 5.736 -0.377 191 2HB LYS 25 2HB LYS 25 8.342 4.003 -0.670 192 1HG LYS 25 1HG LYS 25 8.206 4.419 -3.127 193 2HG LYS 25 2HG LYS 25 8.263 6.164 -2.794 194 1HD LYS 25 1HD LYS 25 10.450 5.819 -1.599 195 2HD LYS 25 2HD LYS 25 10.338 4.084 -1.920 196 1HE LYS 25 1HE LYS 25 11.846 5.012 -3.535 197 2HE LYS 25 2HE LYS 25 10.361 4.557 -4.386 198 1HZ LYS 25 3HZ LYS 25 9.695 6.861 -4.267 199 2HZ LYS 25 1HZ LYS 25 11.101 7.265 -3.509 200 3HZ LYS 25 2HZ LYS 25 11.129 6.697 -5.058 201 H GLU 26 H GLU 26 5.762 5.915 1.151 202 HA GLU 26 HA GLU 26 6.275 3.572 2.781 203 1HB GLU 26 1HB GLU 26 4.999 6.250 3.497 204 2HB GLU 26 2HB GLU 26 5.533 5.019 4.653 205 1HG GLU 26 1HG GLU 26 7.351 6.470 2.656 206 2HG GLU 26 2HG GLU 26 7.140 6.819 4.367 207 H GLU 27 H GLU 27 3.365 5.377 1.935 208 HA GLU 27 HA GLU 27 1.484 3.605 3.102 209 1HB GLU 27 1HB GLU 27 1.127 5.126 0.479 210 2HB GLU 27 2HB GLU 27 -0.119 4.337 1.462 211 1HG GLU 27 1HG GLU 27 -0.331 6.539 2.126 212 2HG GLU 27 2HG GLU 27 0.637 5.834 3.419 213 H LEU 28 H LEU 28 2.981 3.434 -0.251 214 HA LEU 28 HA LEU 28 1.781 0.912 -0.820 215 1HB LEU 28 1HB LEU 28 4.310 2.285 -1.766 216 2HB LEU 28 2HB LEU 28 3.946 0.634 -2.295 217 HG LEU 28 HG LEU 28 1.852 2.752 -2.400 218 1HD1 LEU 28 1HD1 LEU 28 3.940 2.245 -4.533 219 2HD1 LEU 28 2HD1 LEU 28 2.473 3.235 -4.743 220 3HD1 LEU 28 3HD1 LEU 28 3.707 3.739 -3.572 221 1HD2 LEU 28 1HD2 LEU 28 1.161 0.367 -2.867 222 2HD2 LEU 28 2HD2 LEU 28 0.999 1.361 -4.321 223 3HD2 LEU 28 3HD2 LEU 28 2.390 0.279 -4.140 224 H LYS 29 H LYS 29 4.786 1.601 0.945 225 HA LYS 29 HA LYS 29 5.574 -1.131 0.991 226 1HB LYS 29 1HB LYS 29 6.883 0.998 1.614 227 2HB LYS 29 2HB LYS 29 5.995 1.046 3.115 228 1HG LYS 29 1HG LYS 29 6.986 -1.087 3.837 229 2HG LYS 29 2HG LYS 29 7.730 -1.305 2.251 230 1HD LYS 29 1HD LYS 29 9.451 -0.480 3.716 231 2HD LYS 29 2HD LYS 29 9.028 0.806 2.569 232 1HE LYS 29 1HE LYS 29 7.634 1.910 4.317 233 2HE LYS 29 2HE LYS 29 8.041 0.614 5.457 234 1HZ LYS 29 1HZ LYS 29 9.927 2.467 4.178 235 2HZ LYS 29 2HZ LYS 29 9.381 2.568 5.724 236 3HZ LYS 29 3HZ LYS 29 10.329 1.294 5.269 237 H LEU 30 H LEU 30 3.726 0.784 3.339 238 HA LEU 30 HA LEU 30 3.319 -1.451 5.067 239 1HB LEU 30 1HB LEU 30 2.985 1.095 5.563 240 2HB LEU 30 2HB LEU 30 1.362 0.848 4.906 241 HG LEU 30 HG LEU 30 1.053 -0.999 6.645 242 1HD1 LEU 30 1HD1 LEU 30 3.660 0.158 7.735 243 2HD1 LEU 30 2HD1 LEU 30 2.547 -0.878 8.649 244 3HD1 LEU 30 3HD1 LEU 30 3.380 -1.526 7.239 245 1HD2 LEU 30 1HD2 LEU 30 0.174 1.320 6.915 246 2HD2 LEU 30 2HD2 LEU 30 0.625 0.597 8.468 247 3HD2 LEU 30 3HD2 LEU 30 1.691 1.795 7.699 248 H LEU 31 H LEU 31 1.324 -0.140 2.462 249 HA LEU 31 HA LEU 31 -0.871 -1.898 2.541 250 1HB LEU 31 1HB LEU 31 -0.618 0.086 1.101 251 2HB LEU 31 2HB LEU 31 0.558 -0.757 0.102 252 HG LEU 31 HG LEU 31 -2.296 -1.709 0.466 253 1HD1 LEU 31 1HD1 LEU 31 -1.088 0.132 -1.647 254 2HD1 LEU 31 2HD1 LEU 31 -2.712 -0.566 -1.744 255 3HD1 LEU 31 3HD1 LEU 31 -2.322 0.573 -0.448 256 1HD2 LEU 31 3HD2 LEU 31 -0.156 -2.330 -1.625 257 2HD2 LEU 31 1HD2 LEU 31 -0.927 -3.482 -0.511 258 3HD2 LEU 31 2HD2 LEU 31 -1.867 -2.757 -1.802 259 H LEU 32 H LEU 32 2.169 -2.251 0.753 260 HA LEU 32 HA LEU 32 1.640 -4.866 -0.259 261 1HB LEU 32 1HB LEU 32 4.224 -3.356 0.302 262 2HB LEU 32 2HB LEU 32 4.188 -4.903 -0.552 263 HG LEU 32 HG LEU 32 2.530 -2.554 -1.562 264 1HD1 LEU 32 3HD1 LEU 32 4.884 -1.761 -1.350 265 2HD1 LEU 32 1HD1 LEU 32 5.433 -3.170 -2.281 266 3HD1 LEU 32 2HD1 LEU 32 4.396 -1.944 -3.041 267 1HD2 LEU 32 1HD2 LEU 32 2.148 -4.834 -2.510 268 2HD2 LEU 32 2HD2 LEU 32 2.792 -3.679 -3.696 269 3HD2 LEU 32 3HD2 LEU 32 3.876 -4.872 -2.952 270 H GLN 33 H GLN 33 3.592 -3.809 2.598 271 HA GLN 33 HA GLN 33 4.325 -6.305 3.550 272 1HB GLN 33 1HB GLN 33 5.130 -4.140 4.417 273 2HB GLN 33 2HB GLN 33 3.554 -3.844 5.170 274 1HG GLN 33 1HG GLN 33 3.866 -5.806 6.635 275 2HG GLN 33 2HG GLN 33 5.413 -6.166 5.850 276 1HE2 GLN 33 1HE2 GLN 33 7.085 -3.324 7.383 277 2HE2 GLN 33 2HE2 GLN 33 7.028 -4.212 5.869 278 H THR 34 H THR 34 1.273 -4.589 4.157 279 HA THR 34 HA THR 34 0.310 -6.655 5.958 280 HB THR 34 HB THR 34 -1.407 -4.628 4.497 281 HG1 THR 34 HG1 THR 34 0.355 -3.593 5.572 282 1HG2 THR 34 1HG2 THR 34 -1.641 -6.040 7.200 283 2HG2 THR 34 2HG2 THR 34 -2.788 -4.841 6.589 284 3HG2 THR 34 3HG2 THR 34 -2.621 -6.390 5.761 285 H GLU 35 H GLU 35 -0.531 -5.770 2.552 286 HA GLU 35 HA GLU 35 -2.458 -7.986 2.452 287 1HB GLU 35 1HB GLU 35 -1.886 -5.507 0.765 288 2HB GLU 35 2HB GLU 35 -3.053 -6.759 0.290 289 1HG GLU 35 1HG GLU 35 -3.082 -5.115 2.873 290 2HG GLU 35 2HG GLU 35 -3.988 -4.761 1.404 291 H PHE 36 H PHE 36 0.658 -7.150 1.065 292 HA PHE 36 HA PHE 36 0.757 -9.691 -0.461 293 1HB PHE 36 1HB PHE 36 1.237 -6.959 -1.705 294 2HB PHE 36 2HB PHE 36 1.405 -8.528 -2.471 295 HD1 PHE 36 HD1 PHE 36 -0.707 -9.994 -2.732 296 HD2 PHE 36 HD2 PHE 36 -0.790 -5.773 -1.859 297 HE1 PHE 36 HE1 PHE 36 -2.924 -9.817 -3.831 298 HE2 PHE 36 HE2 PHE 36 -3.024 -5.601 -2.991 299 HZ PHE 36 HZ PHE 36 -4.062 -7.631 -3.980 300 HA PRO 37 HA PRO 37 4.527 -7.963 1.763 301 1HB PRO 37 1HB PRO 37 5.373 -10.301 3.025 302 2HB PRO 37 2HB PRO 37 4.227 -9.112 3.701 303 1HG PRO 37 1HG PRO 37 3.578 -11.679 2.241 304 2HG PRO 37 2HG PRO 37 2.865 -11.064 3.763 305 1HD PRO 37 1HD PRO 37 1.586 -10.746 1.409 306 2HD PRO 37 2HD PRO 37 1.603 -9.402 2.583 307 H SER 38 H SER 38 4.122 -10.723 -0.394 308 HA SER 38 HA SER 38 6.827 -11.388 -0.974 309 1HB SER 38 1HB SER 38 5.536 -12.053 -3.180 310 2HB SER 38 2HB SER 38 5.136 -12.883 -1.660 311 HG SER 38 HG SER 38 3.251 -12.111 -2.759 312 H LEU 39 H LEU 39 4.451 -9.229 -2.450 313 HA LEU 39 HA LEU 39 5.933 -8.427 -4.687 314 1HB LEU 39 1HB LEU 39 3.708 -7.109 -3.171 315 2HB LEU 39 2HB LEU 39 4.260 -6.524 -4.760 316 HG LEU 39 HG LEU 39 3.052 -9.249 -4.154 317 1HD1 LEU 39 3HD1 LEU 39 1.529 -7.147 -4.302 318 2HD1 LEU 39 1HD1 LEU 39 1.991 -7.077 -6.007 319 3HD1 LEU 39 2HD1 LEU 39 1.134 -8.497 -5.383 320 1HD2 LEU 39 3HD2 LEU 39 4.155 -8.140 -6.766 321 2HD2 LEU 39 1HD2 LEU 39 4.623 -9.646 -5.939 322 3HD2 LEU 39 2HD2 LEU 39 3.029 -9.511 -6.677 323 H LEU 40 H LEU 40 6.328 -7.281 -1.443 324 HA LEU 40 HA LEU 40 7.632 -4.800 -1.862 325 1HB LEU 40 1HB LEU 40 8.377 -7.112 -0.021 326 2HB LEU 40 2HB LEU 40 9.120 -5.517 0.072 327 HG LEU 40 HG LEU 40 6.134 -6.001 0.465 328 1HD1 LEU 40 3HD1 LEU 40 7.460 -7.125 2.223 329 2HD1 LEU 40 1HD1 LEU 40 8.359 -5.622 2.518 330 3HD1 LEU 40 2HD1 LEU 40 6.620 -5.707 2.870 331 1HD2 LEU 40 3HD2 LEU 40 7.950 -3.596 1.013 332 2HD2 LEU 40 1HD2 LEU 40 6.653 -3.670 -0.196 333 3HD2 LEU 40 2HD2 LEU 40 6.259 -3.728 1.527 334 H LYS 41 H LYS 41 8.747 -8.086 -2.503 335 HA LYS 41 HA LYS 41 11.259 -7.131 -3.783 336 1HB LYS 41 1HB LYS 41 10.366 -9.849 -2.756 337 2HB LYS 41 2HB LYS 41 11.921 -9.462 -3.485 338 1HG LYS 41 1HG LYS 41 12.339 -7.793 -1.650 339 2HG LYS 41 2HG LYS 41 10.853 -8.326 -0.854 340 1HD LYS 41 1HD LYS 41 13.265 -10.099 -1.471 341 2HD LYS 41 2HD LYS 41 12.894 -9.364 0.096 342 1HE LYS 41 1HE LYS 41 10.707 -10.612 0.131 343 2HE LYS 41 2HE LYS 41 11.193 -11.442 -1.361 344 1HZ LYS 41 3HZ LYS 41 13.083 -12.304 -0.200 345 2HZ LYS 41 1HZ LYS 41 12.631 -11.543 1.190 346 3HZ LYS 41 2HZ LYS 41 11.684 -12.733 0.558 347 H GLY 42 H GLY 42 8.482 -9.298 -4.066 348 1HA GLY 42 1HA GLY 42 9.104 -10.600 -6.431 349 2HA GLY 42 2HA GLY 42 7.465 -10.388 -5.793 350 H GLY 43 H GLY 43 8.840 -10.208 -8.578 351 1HA GLY 43 1HA GLY 43 8.129 -9.203 -10.547 352 2HA GLY 43 2HA GLY 43 7.098 -8.092 -9.632 353 H SER 44 H SER 44 8.712 -6.681 -7.976 354 HA SER 44 HA SER 44 11.287 -5.999 -9.083 355 1HB SER 44 1HB SER 44 8.824 -4.220 -9.361 356 2HB SER 44 2HB SER 44 10.432 -3.543 -9.147 357 HG SER 44 HG SER 44 10.018 -5.536 -11.100 358 H THR 45 H THR 45 12.506 -4.959 -7.435 359 HA THR 45 HA THR 45 11.611 -5.104 -4.730 360 HB THR 45 HB THR 45 13.650 -3.518 -4.477 361 HG1 THR 45 HG1 THR 45 13.421 -2.881 -6.768 362 1HG2 THR 45 1HG2 THR 45 14.008 -6.204 -5.899 363 2HG2 THR 45 2HG2 THR 45 15.258 -5.341 -4.984 364 3HG2 THR 45 3HG2 THR 45 13.823 -5.967 -4.149 365 H LEU 46 H LEU 46 10.818 -3.495 -3.413 366 HA LEU 46 HA LEU 46 8.747 -2.068 -4.155 367 1HB LEU 46 1HB LEU 46 9.359 -2.435 -1.814 368 2HB LEU 46 2HB LEU 46 10.783 -1.404 -1.985 369 HG LEU 46 HG LEU 46 9.301 0.598 -2.300 370 1HD1 LEU 46 1HD1 LEU 46 7.116 -1.400 -1.601 371 2HD1 LEU 46 2HD1 LEU 46 6.905 0.363 -1.655 372 3HD1 LEU 46 3HD1 LEU 46 7.256 -0.529 -3.145 373 1HD2 LEU 46 1HD2 LEU 46 10.248 0.021 -0.114 374 2HD2 LEU 46 2HD2 LEU 46 8.637 0.742 0.042 375 3HD2 LEU 46 3HD2 LEU 46 8.847 -1.017 0.226 376 H ASP 47 H ASP 47 11.957 -0.629 -3.961 377 HA ASP 47 HA ASP 47 11.091 2.014 -4.598 378 1HB ASP 47 1HB ASP 47 13.833 0.690 -4.946 379 2HB ASP 47 2HB ASP 47 13.512 2.420 -5.031 380 H GLU 48 H GLU 48 12.179 -0.638 -6.649 381 HA GLU 48 HA GLU 48 12.133 0.980 -9.098 382 1HB GLU 48 1HB GLU 48 12.253 -2.049 -8.754 383 2HB GLU 48 2HB GLU 48 12.582 -1.127 -10.229 384 1HG GLU 48 1HG GLU 48 14.227 -1.079 -7.647 385 2HG GLU 48 2HG GLU 48 14.686 -1.799 -9.190 386 H LEU 49 H LEU 49 10.084 -1.337 -7.370 387 HA LEU 49 HA LEU 49 8.041 -1.592 -9.290 388 1HB LEU 49 1HB LEU 49 8.249 -3.012 -7.279 389 2HB LEU 49 2HB LEU 49 7.863 -1.628 -6.256 390 HG LEU 49 HG LEU 49 5.599 -1.500 -7.203 391 1HD1 LEU 49 1HD1 LEU 49 6.415 -3.986 -8.782 392 2HD1 LEU 49 2HD1 LEU 49 4.756 -3.384 -8.611 393 3HD1 LEU 49 3HD1 LEU 49 5.951 -2.411 -9.470 394 1HD2 LEU 49 1HD2 LEU 49 6.075 -2.872 -5.196 395 2HD2 LEU 49 2HD2 LEU 49 4.756 -3.564 -6.154 396 3HD2 LEU 49 3HD2 LEU 49 6.378 -4.282 -6.232 397 H PHE 50 H PHE 50 8.488 0.776 -6.676 398 HA PHE 50 HA PHE 50 6.157 2.296 -7.008 399 1HB PHE 50 1HB PHE 50 7.801 2.538 -5.171 400 2HB PHE 50 2HB PHE 50 8.978 3.202 -6.290 401 HD1 PHE 50 HD1 PHE 50 5.635 3.833 -4.763 402 HD2 PHE 50 HD2 PHE 50 8.969 5.559 -6.856 403 HE1 PHE 50 HE1 PHE 50 4.986 6.049 -3.932 404 HE2 PHE 50 HE2 PHE 50 8.310 7.802 -6.040 405 HZ PHE 50 HZ PHE 50 6.375 8.054 -4.501 406 H GLU 51 H GLU 51 9.345 2.797 -8.626 407 HA GLU 51 HA GLU 51 8.486 4.928 -10.283 408 1HB GLU 51 1HB GLU 51 10.607 2.804 -10.825 409 2HB GLU 51 2HB GLU 51 10.405 4.304 -11.735 410 1HG GLU 51 1HG GLU 51 11.080 4.128 -8.759 411 2HG GLU 51 2HG GLU 51 12.217 4.470 -10.061 412 H GLU 52 H GLU 52 8.517 1.428 -10.895 413 HA GLU 52 HA GLU 52 7.462 1.539 -13.532 414 1HB GLU 52 1HB GLU 52 7.253 -0.635 -11.410 415 2HB GLU 52 2HB GLU 52 6.719 -0.843 -13.078 416 1HG GLU 52 1HG GLU 52 9.581 -0.100 -12.315 417 2HG GLU 52 2HG GLU 52 9.018 -1.747 -12.622 418 H LEU 53 H LEU 53 5.744 1.467 -10.418 419 HA LEU 53 HA LEU 53 3.119 1.282 -11.643 420 1HB LEU 53 1HB LEU 53 4.050 2.159 -8.874 421 2HB LEU 53 2HB LEU 53 2.379 1.960 -9.384 422 HG LEU 53 HG LEU 53 4.429 -0.275 -9.191 423 1HD1 LEU 53 3HD1 LEU 53 3.608 0.619 -7.026 424 2HD1 LEU 53 1HD1 LEU 53 1.934 0.333 -7.555 425 3HD1 LEU 53 2HD1 LEU 53 3.044 -1.032 -7.321 426 1HD2 LEU 53 3HD2 LEU 53 1.515 -0.405 -10.011 427 2HD2 LEU 53 1HD2 LEU 53 2.934 -0.799 -11.018 428 3HD2 LEU 53 2HD2 LEU 53 2.566 -1.796 -9.624 429 H ASP 54 H ASP 54 5.134 3.914 -10.452 430 HA ASP 54 HA ASP 54 3.222 6.018 -10.782 431 1HB ASP 54 1HB ASP 54 5.042 6.169 -9.210 432 2HB ASP 54 2HB ASP 54 6.220 5.945 -10.492 433 H LYS 55 H LYS 55 2.801 4.888 -13.131 434 HA LYS 55 HA LYS 55 4.434 5.502 -15.327 435 1HB LYS 55 1HB LYS 55 1.413 5.292 -15.193 436 2HB LYS 55 2HB LYS 55 2.358 5.297 -16.681 437 1HG LYS 55 1HG LYS 55 2.468 3.209 -14.458 438 2HG LYS 55 2HG LYS 55 1.782 3.034 -16.070 439 1HD LYS 55 1HD LYS 55 4.732 3.324 -15.369 440 2HD LYS 55 2HD LYS 55 3.900 1.883 -15.924 441 1HE LYS 55 1HE LYS 55 3.383 3.019 -18.101 442 2HE LYS 55 2HE LYS 55 4.314 4.431 -17.563 443 1HZ LYS 55 3HZ LYS 55 6.227 3.035 -17.370 444 2HZ LYS 55 1HZ LYS 55 5.376 1.720 -17.881 445 3HZ LYS 55 2HZ LYS 55 5.623 2.990 -18.902 446 H ASN 56 H ASN 56 2.096 7.558 -13.671 447 HA ASN 56 HA ASN 56 2.165 9.634 -15.680 448 1HB ASN 56 1HB ASN 56 0.665 10.765 -14.463 449 2HB ASN 56 2HB ASN 56 0.378 9.178 -13.765 450 1HD2 ASN 56 1HD2 ASN 56 2.074 10.119 -10.653 451 2HD2 ASN 56 2HD2 ASN 56 1.999 8.788 -11.806 452 H GLY 57 H GLY 57 4.496 8.707 -13.310 453 1HA GLY 57 1HA GLY 57 6.575 9.500 -13.029 454 2HA GLY 57 2HA GLY 57 6.266 10.647 -14.329 455 H ASP 58 H ASP 58 4.069 11.067 -11.590 456 HA ASP 58 HA ASP 58 5.438 13.530 -10.885 457 1HB ASP 58 1HB ASP 58 3.659 13.999 -9.548 458 2HB ASP 58 2HB ASP 58 2.901 13.107 -10.849 459 H GLY 59 H GLY 59 5.187 10.240 -9.636 460 1HA GLY 59 1HA GLY 59 7.310 9.578 -8.369 461 2HA GLY 59 2HA GLY 59 6.842 10.860 -7.233 462 H GLU 60 H GLU 60 4.310 10.785 -6.794 463 HA GLU 60 HA GLU 60 4.012 8.226 -5.360 464 1HB GLU 60 1HB GLU 60 2.289 10.742 -5.393 465 2HB GLU 60 2HB GLU 60 2.124 9.374 -4.270 466 1HG GLU 60 1HG GLU 60 4.558 9.848 -3.584 467 2HG GLU 60 2HG GLU 60 4.417 11.368 -4.478 468 H VAL 61 H VAL 61 2.026 6.973 -5.467 469 HA VAL 61 HA VAL 61 1.345 6.625 -8.336 470 HB VAL 61 HB VAL 61 1.051 4.632 -6.075 471 1HG1 VAL 61 3HG1 VAL 61 0.020 4.216 -8.401 472 2HG1 VAL 61 1HG1 VAL 61 1.708 4.194 -8.996 473 3HG1 VAL 61 2HG1 VAL 61 1.155 2.999 -7.798 474 1HG2 VAL 61 3HG2 VAL 61 3.515 5.293 -7.748 475 2HG2 VAL 61 1HG2 VAL 61 3.399 5.282 -5.978 476 3HG2 VAL 61 2HG2 VAL 61 3.314 3.766 -6.882 477 H SER 62 H SER 62 -0.683 7.221 -9.025 478 HA SER 62 HA SER 62 -2.895 7.614 -7.187 479 1HB SER 62 1HB SER 62 -4.193 8.144 -9.170 480 2HB SER 62 2HB SER 62 -2.650 8.980 -9.268 481 HG SER 62 HG SER 62 -1.965 7.615 -10.794 482 H PHE 63 H PHE 63 -5.007 6.466 -7.434 483 HA PHE 63 HA PHE 63 -4.765 3.665 -7.389 484 1HB PHE 63 1HB PHE 63 -6.662 4.876 -6.382 485 2HB PHE 63 2HB PHE 63 -7.256 5.304 -7.990 486 HD1 PHE 63 HD1 PHE 63 -6.249 2.282 -5.981 487 HD2 PHE 63 HD2 PHE 63 -8.853 3.838 -9.037 488 HE1 PHE 63 HE1 PHE 63 -7.548 0.197 -5.920 489 HE2 PHE 63 HE2 PHE 63 -10.076 1.687 -9.074 490 HZ PHE 63 HZ PHE 63 -9.468 -0.126 -7.475 491 H GLU 64 H GLU 64 -5.293 5.803 -10.162 492 HA GLU 64 HA GLU 64 -6.191 3.699 -11.902 493 1HB GLU 64 1HB GLU 64 -4.803 6.337 -12.618 494 2HB GLU 64 2HB GLU 64 -5.794 5.328 -13.688 495 1HG GLU 64 1HG GLU 64 -6.702 6.974 -11.282 496 2HG GLU 64 2HG GLU 64 -7.119 7.213 -12.978 497 H GLU 65 H GLU 65 -2.970 5.363 -11.606 498 HA GLU 65 HA GLU 65 -1.789 3.436 -13.397 499 1HB GLU 65 1HB GLU 65 0.289 4.505 -12.993 500 2HB GLU 65 2HB GLU 65 -0.987 5.712 -13.165 501 1HG GLU 65 1HG GLU 65 -1.077 5.571 -10.518 502 2HG GLU 65 2HG GLU 65 0.520 4.872 -10.697 503 H PHE 66 H PHE 66 -2.212 3.494 -9.867 504 HA PHE 66 HA PHE 66 -0.647 1.295 -9.075 505 1HB PHE 66 1HB PHE 66 -1.800 2.526 -7.430 506 2HB PHE 66 2HB PHE 66 -3.302 2.388 -8.327 507 HD1 PHE 66 HD1 PHE 66 -1.007 0.369 -6.175 508 HD2 PHE 66 HD2 PHE 66 -4.883 0.769 -7.974 509 HE1 PHE 66 HE1 PHE 66 -1.907 -1.388 -4.652 510 HE2 PHE 66 HE2 PHE 66 -5.729 -1.139 -6.663 511 HZ PHE 66 HZ PHE 66 -4.285 -2.110 -4.844 512 H GLN 67 H GLN 67 -3.586 1.276 -11.161 513 HA GLN 67 HA GLN 67 -4.131 -1.495 -10.884 514 1HB GLN 67 1HB GLN 67 -4.459 0.161 -13.414 515 2HB GLN 67 2HB GLN 67 -5.165 -1.421 -13.082 516 1HG GLN 67 1HG GLN 67 -5.889 1.209 -11.776 517 2HG GLN 67 2HG GLN 67 -6.901 0.139 -12.733 518 1HE2 GLN 67 1HE2 GLN 67 -6.883 -0.197 -8.749 519 2HE2 GLN 67 2HE2 GLN 67 -6.313 1.182 -9.660 520 H VAL 68 H VAL 68 -1.352 0.003 -12.427 521 HA VAL 68 HA VAL 68 -0.561 -2.176 -14.084 522 HB VAL 68 HB VAL 68 1.073 -0.152 -12.518 523 1HG1 VAL 68 1HG1 VAL 68 1.966 -2.088 -14.701 524 2HG1 VAL 68 2HG1 VAL 68 2.923 -0.724 -14.088 525 3HG1 VAL 68 3HG1 VAL 68 2.533 -2.072 -13.018 526 1HG2 VAL 68 1HG2 VAL 68 -0.425 0.778 -14.324 527 2HG2 VAL 68 2HG2 VAL 68 1.293 0.950 -14.705 528 3HG2 VAL 68 3HG2 VAL 68 0.335 -0.327 -15.480 529 H LEU 69 H LEU 69 -0.513 -1.771 -10.543 530 HA LEU 69 HA LEU 69 1.254 -4.006 -10.053 531 1HB LEU 69 1HB LEU 69 0.716 -2.139 -8.374 532 2HB LEU 69 2HB LEU 69 -0.913 -2.786 -8.266 533 HG LEU 69 HG LEU 69 0.049 -4.977 -7.446 534 1HD1 LEU 69 1HD1 LEU 69 2.607 -3.320 -7.377 535 2HD1 LEU 69 2HD1 LEU 69 2.382 -4.837 -6.496 536 3HD1 LEU 69 3HD1 LEU 69 2.353 -4.839 -8.264 537 1HD2 LEU 69 3HD2 LEU 69 0.672 -2.471 -5.832 538 2HD2 LEU 69 1HD2 LEU 69 -0.894 -3.311 -5.923 539 3HD2 LEU 69 2HD2 LEU 69 0.496 -4.117 -5.181 540 H VAL 70 H VAL 70 -2.285 -3.461 -10.100 541 HA VAL 70 HA VAL 70 -3.028 -6.113 -9.401 542 HB VAL 70 HB VAL 70 -4.628 -4.120 -11.087 543 1HG1 VAL 70 1HG1 VAL 70 -5.493 -6.377 -9.223 544 2HG1 VAL 70 2HG1 VAL 70 -6.576 -5.244 -10.060 545 3HG1 VAL 70 3HG1 VAL 70 -5.610 -6.391 -10.996 546 1HG2 VAL 70 3HG2 VAL 70 -4.220 -4.340 -8.084 547 2HG2 VAL 70 1HG2 VAL 70 -3.937 -2.917 -9.090 548 3HG2 VAL 70 2HG2 VAL 70 -5.589 -3.464 -8.811 549 H LYS 71 H LYS 71 -2.397 -4.568 -12.554 550 HA LYS 71 HA LYS 71 -2.932 -6.780 -14.223 551 1HB LYS 71 1HB LYS 71 -2.554 -4.621 -15.175 552 2HB LYS 71 2HB LYS 71 -0.967 -4.486 -14.428 553 1HG LYS 71 1HG LYS 71 -0.752 -4.925 -16.787 554 2HG LYS 71 2HG LYS 71 -0.050 -6.230 -15.826 555 1HD LYS 71 1HD LYS 71 -2.023 -7.654 -16.258 556 2HD LYS 71 2HD LYS 71 -2.863 -6.302 -17.048 557 1HE LYS 71 1HE LYS 71 -1.166 -6.267 -18.840 558 2HE LYS 71 2HE LYS 71 -0.257 -7.556 -18.031 559 1HZ LYS 71 1HZ LYS 71 -2.986 -7.792 -19.085 560 2HZ LYS 71 2HZ LYS 71 -1.622 -8.400 -19.781 561 3HZ LYS 71 3HZ LYS 71 -2.141 -8.992 -18.333 562 H LYS 72 H LYS 72 0.192 -5.823 -12.780 563 HA LYS 72 HA LYS 72 1.610 -8.166 -13.401 564 1HB LYS 72 1HB LYS 72 1.921 -6.081 -11.270 565 2HB LYS 72 2HB LYS 72 2.731 -7.624 -11.008 566 1HG LYS 72 1HG LYS 72 4.277 -6.179 -12.075 567 2HG LYS 72 2HG LYS 72 3.841 -7.466 -13.208 568 1HD LYS 72 1HD LYS 72 2.209 -5.866 -14.301 569 2HD LYS 72 2HD LYS 72 2.795 -4.597 -13.210 570 1HE LYS 72 1HE LYS 72 4.486 -6.131 -15.242 571 2HE LYS 72 2HE LYS 72 3.836 -4.500 -15.463 572 1HZ LYS 72 3HZ LYS 72 5.123 -3.788 -13.578 573 2HZ LYS 72 1HZ LYS 72 5.758 -5.298 -13.394 574 3HZ LYS 72 2HZ LYS 72 6.089 -4.425 -14.750 575 H ILE 73 H ILE 73 -0.481 -7.694 -10.561 576 HA ILE 73 HA ILE 73 -0.076 -10.291 -9.440 577 HB ILE 73 HB ILE 73 -2.567 -8.543 -9.333 578 1HG1 ILE 73 1HG1 ILE 73 -0.283 -8.959 -7.350 579 2HG1 ILE 73 2HG1 ILE 73 -0.532 -7.524 -8.346 580 1HG2 ILE 73 3HG2 ILE 73 -3.128 -10.921 -8.853 581 2HG2 ILE 73 1HG2 ILE 73 -1.838 -10.963 -7.633 582 3HG2 ILE 73 2HG2 ILE 73 -3.267 -9.927 -7.422 583 1HD1 ILE 73 3HD1 ILE 73 -2.728 -7.129 -7.224 584 2HD1 ILE 73 1HD1 ILE 73 -2.328 -8.450 -6.102 585 3HD1 ILE 73 2HD1 ILE 73 -1.311 -7.008 -6.163 586 H SER 74 H SER 74 -2.461 -9.152 -11.801 587 HA SER 74 HA SER 74 -3.791 -11.613 -12.226 588 1HB SER 74 1HB SER 74 -3.370 -9.423 -14.302 589 2HB SER 74 2HB SER 74 -4.633 -10.660 -14.279 590 HG SER 74 HG SER 74 -4.256 -8.607 -12.333 591 H GLN 75 H GLN 75 -0.890 -10.273 -13.760 592 HA GLN 75 HA GLN 75 -0.368 -12.588 -15.462 593 1HB GLN 75 1HB GLN 75 1.551 -10.513 -14.312 594 2HB GLN 75 2HB GLN 75 1.947 -11.715 -15.539 595 1HG GLN 75 1HG GLN 75 0.365 -10.704 -17.113 596 2HG GLN 75 2HG GLN 75 -0.175 -9.553 -15.887 597 1HE2 GLN 75 1HE2 GLN 75 3.561 -9.044 -17.579 598 2HE2 GLN 75 2HE2 GLN 75 2.836 -10.641 -17.566 No H/Q in entry = 598 Start of MODEL 2 Raw file had 599 H/Q atoms Start of MODEL 2 1 1H LYS 1 1H LYS 1 -7.244 -11.137 -5.012 2 2H LYS 1 2H LYS 1 -6.097 -9.921 -4.829 3 3H LYS 1 3H LYS 1 -6.487 -10.913 -3.527 4 HA LYS 1 HA LYS 1 -8.683 -10.038 -3.421 5 1HB LYS 1 1HB LYS 1 -6.557 -7.888 -3.505 6 2HB LYS 1 2HB LYS 1 -8.137 -7.810 -2.711 7 1HG LYS 1 1HG LYS 1 -7.330 -10.063 -1.532 8 2HG LYS 1 2HG LYS 1 -5.730 -9.462 -1.971 9 1HD LYS 1 1HD LYS 1 -6.496 -7.224 -0.855 10 2HD LYS 1 2HD LYS 1 -7.914 -8.142 -0.317 11 1HE LYS 1 1HE LYS 1 -6.234 -8.034 1.483 12 2HE LYS 1 2HE LYS 1 -6.405 -9.709 0.928 13 1HZ LYS 1 1HZ LYS 1 -4.294 -7.844 0.077 14 2HZ LYS 1 2HZ LYS 1 -4.095 -9.023 1.199 15 3HZ LYS 1 3HZ LYS 1 -4.418 -9.421 -0.361 16 H SER 2 H SER 2 -10.330 -8.767 -4.390 17 HA SER 2 HA SER 2 -10.231 -8.551 -7.247 18 1HB SER 2 1HB SER 2 -12.502 -7.567 -6.970 19 2HB SER 2 2HB SER 2 -12.309 -9.031 -6.000 20 HG SER 2 HG SER 2 -12.143 -7.818 -4.189 21 HA PRO 3 HA PRO 3 -8.915 -4.266 -7.937 22 1HB PRO 3 1HB PRO 3 -11.606 -4.015 -9.299 23 2HB PRO 3 2HB PRO 3 -10.027 -3.358 -9.818 24 1HG PRO 3 1HG PRO 3 -10.929 -5.648 -10.934 25 2HG PRO 3 2HG PRO 3 -9.231 -5.562 -10.380 26 1HD PRO 3 1HD PRO 3 -11.590 -6.824 -8.976 27 2HD PRO 3 2HD PRO 3 -9.924 -7.446 -9.182 28 H GLU 4 H GLU 4 -12.297 -4.875 -6.899 29 HA GLU 4 HA GLU 4 -12.799 -2.345 -5.723 30 1HB GLU 4 1HB GLU 4 -14.525 -4.046 -6.320 31 2HB GLU 4 2HB GLU 4 -13.958 -5.071 -4.988 32 1HG GLU 4 1HG GLU 4 -14.567 -3.279 -3.367 33 2HG GLU 4 2HG GLU 4 -15.092 -2.249 -4.709 34 H GLU 5 H GLU 5 -11.502 -5.369 -4.352 35 HA GLU 5 HA GLU 5 -11.284 -4.360 -1.640 36 1HB GLU 5 1HB GLU 5 -9.966 -6.627 -3.158 37 2HB GLU 5 2HB GLU 5 -9.563 -6.264 -1.470 38 1HG GLU 5 1HG GLU 5 -11.770 -6.735 -0.704 39 2HG GLU 5 2HG GLU 5 -12.437 -6.746 -2.339 40 H LEU 6 H LEU 6 -9.100 -4.562 -4.427 41 HA LEU 6 HA LEU 6 -6.828 -3.430 -3.193 42 1HB LEU 6 1HB LEU 6 -7.748 -3.587 -6.083 43 2HB LEU 6 2HB LEU 6 -6.241 -2.857 -5.631 44 HG LEU 6 HG LEU 6 -6.946 -5.599 -4.520 45 1HD1 LEU 6 3HD1 LEU 6 -7.224 -5.860 -6.965 46 2HD1 LEU 6 1HD1 LEU 6 -5.570 -5.253 -7.193 47 3HD1 LEU 6 2HD1 LEU 6 -5.844 -6.761 -6.305 48 1HD2 LEU 6 3HD2 LEU 6 -4.310 -4.230 -5.310 49 2HD2 LEU 6 1HD2 LEU 6 -4.896 -4.435 -3.648 50 3HD2 LEU 6 2HD2 LEU 6 -4.438 -5.845 -4.622 51 H LYS 7 H LYS 7 -9.547 -1.816 -4.883 52 HA LYS 7 HA LYS 7 -8.567 0.823 -4.479 53 1HB LYS 7 1HB LYS 7 -10.520 0.223 -5.921 54 2HB LYS 7 2HB LYS 7 -11.462 -0.174 -4.504 55 1HG LYS 7 1HG LYS 7 -12.054 2.007 -5.402 56 2HG LYS 7 2HG LYS 7 -11.493 2.116 -3.734 57 1HD LYS 7 1HD LYS 7 -9.314 2.972 -4.450 58 2HD LYS 7 2HD LYS 7 -9.721 2.703 -6.149 59 1HE LYS 7 1HE LYS 7 -11.211 4.633 -4.317 60 2HE LYS 7 2HE LYS 7 -9.889 5.085 -5.405 61 1HZ LYS 7 3HZ LYS 7 -11.197 4.292 -7.236 62 2HZ LYS 7 1HZ LYS 7 -12.446 3.913 -6.230 63 3HZ LYS 7 2HZ LYS 7 -11.984 5.482 -6.411 64 H GLY 8 H GLY 8 -10.738 -1.117 -2.459 65 1HA GLY 8 1HA GLY 8 -11.134 0.671 -0.319 66 2HA GLY 8 2HA GLY 8 -11.051 -1.092 -0.132 67 H ILE 9 H ILE 9 -8.567 -1.750 -0.647 68 HA ILE 9 HA ILE 9 -6.922 -1.194 1.604 69 HB ILE 9 HB ILE 9 -6.363 -2.311 -1.146 70 1HG1 ILE 9 1HG1 ILE 9 -8.022 -3.355 0.683 71 2HG1 ILE 9 2HG1 ILE 9 -6.990 -4.351 -0.352 72 1HG2 ILE 9 1HG2 ILE 9 -4.586 -2.231 1.304 73 2HG2 ILE 9 2HG2 ILE 9 -4.336 -3.322 -0.082 74 3HG2 ILE 9 3HG2 ILE 9 -4.272 -1.574 -0.310 75 1HD1 ILE 9 1HD1 ILE 9 -6.263 -3.502 2.482 76 2HD1 ILE 9 2HD1 ILE 9 -7.091 -5.014 2.060 77 3HD1 ILE 9 3HD1 ILE 9 -5.462 -4.726 1.448 78 H PHE 10 H PHE 10 -6.669 -0.032 -1.819 79 HA PHE 10 HA PHE 10 -4.449 1.616 -1.540 80 1HB PHE 10 1HB PHE 10 -5.603 0.983 -3.686 81 2HB PHE 10 2HB PHE 10 -6.915 2.045 -3.270 82 HD1 PHE 10 HD1 PHE 10 -6.570 4.523 -3.086 83 HD2 PHE 10 HD2 PHE 10 -3.551 1.855 -4.651 84 HE1 PHE 10 HE1 PHE 10 -5.337 6.422 -3.959 85 HE2 PHE 10 HE2 PHE 10 -2.329 3.814 -5.578 86 HZ PHE 10 HZ PHE 10 -3.196 6.099 -5.193 87 H GLU 11 H GLU 11 -7.907 2.400 -0.999 88 HA GLU 11 HA GLU 11 -7.484 5.156 -0.301 89 1HB GLU 11 1HB GLU 11 -9.755 3.223 0.310 90 2HB GLU 11 2HB GLU 11 -9.778 4.943 0.728 91 1HG GLU 11 1HG GLU 11 -9.540 5.587 -1.616 92 2HG GLU 11 2HG GLU 11 -9.389 3.901 -2.114 93 H LYS 12 H LYS 12 -7.934 2.211 1.719 94 HA LYS 12 HA LYS 12 -7.742 3.273 4.273 95 1HB LYS 12 1HB LYS 12 -8.203 0.982 4.063 96 2HB LYS 12 2HB LYS 12 -6.787 0.663 3.066 97 1HG LYS 12 1HG LYS 12 -5.265 0.921 4.891 98 2HG LYS 12 2HG LYS 12 -6.590 1.409 5.989 99 1HD LYS 12 1HD LYS 12 -7.641 -0.848 5.615 100 2HD LYS 12 2HD LYS 12 -6.282 -1.279 4.559 101 1HE LYS 12 1HE LYS 12 -4.724 -0.840 6.528 102 2HE LYS 12 2HE LYS 12 -6.161 -0.626 7.539 103 1HZ LYS 12 3HZ LYS 12 -6.794 -2.876 6.939 104 2HZ LYS 12 1HZ LYS 12 -5.403 -3.062 6.068 105 3HZ LYS 12 2HZ LYS 12 -5.330 -2.828 7.691 106 H TYR 13 H TYR 13 -4.979 2.342 2.167 107 HA TYR 13 HA TYR 13 -3.067 3.339 4.161 108 1HB TYR 13 1HB TYR 13 -2.772 2.164 1.415 109 2HB TYR 13 2HB TYR 13 -1.412 2.798 2.348 110 HD1 TYR 13 HD2 TYR 13 -0.941 1.925 4.628 111 HD2 TYR 13 HD1 TYR 13 -3.939 0.107 2.204 112 HE1 TYR 13 HE2 TYR 13 -0.869 -0.117 6.065 113 HE2 TYR 13 HE1 TYR 13 -4.039 -1.822 3.655 114 HH TYR 13 HH TYR 13 -1.744 -2.220 6.430 115 H ALA 14 H ALA 14 -4.194 4.517 0.989 116 HA ALA 14 HA ALA 14 -2.468 6.763 0.798 117 1HB ALA 14 3HB ALA 14 -3.801 5.885 -1.079 118 2HB ALA 14 1HB ALA 14 -5.290 6.393 -0.257 119 3HB ALA 14 2HB ALA 14 -4.120 7.602 -0.829 120 H ALA 15 H ALA 15 -5.652 6.465 2.311 121 HA ALA 15 HA ALA 15 -6.094 9.107 3.122 122 1HB ALA 15 3HB ALA 15 -7.743 7.306 3.411 123 2HB ALA 15 1HB ALA 15 -6.698 6.530 4.632 124 3HB ALA 15 2HB ALA 15 -7.424 8.116 4.960 125 H LYS 16 H LYS 16 -3.738 6.741 4.373 126 HA LYS 16 HA LYS 16 -3.322 8.033 6.883 127 1HB LYS 16 1HB LYS 16 -2.786 5.628 6.100 128 2HB LYS 16 2HB LYS 16 -1.264 6.312 5.484 129 1HG LYS 16 1HG LYS 16 -0.819 7.207 7.800 130 2HG LYS 16 2HG LYS 16 -2.286 6.387 8.358 131 1HD LYS 16 1HD LYS 16 0.219 5.085 7.197 132 2HD LYS 16 2HD LYS 16 -0.319 5.042 8.878 133 1HE LYS 16 1HE LYS 16 -2.399 3.807 8.120 134 2HE LYS 16 2HE LYS 16 -1.708 3.737 6.485 135 1HZ LYS 16 1HZ LYS 16 -0.480 2.591 8.880 136 2HZ LYS 16 2HZ LYS 16 -1.272 1.762 7.695 137 3HZ LYS 16 3HZ LYS 16 0.137 2.544 7.351 138 H GLU 17 H GLU 17 -2.029 8.517 3.602 139 HA GLU 17 HA GLU 17 -0.006 10.495 4.461 140 1HB GLU 17 1HB GLU 17 -1.228 9.716 1.770 141 2HB GLU 17 2HB GLU 17 -0.299 11.194 1.955 142 1HG GLU 17 1HG GLU 17 0.759 8.442 2.657 143 2HG GLU 17 2HG GLU 17 1.012 9.250 1.105 144 H GLY 18 H GLY 18 -3.251 10.374 3.073 145 1HA GLY 18 1HA GLY 18 -4.721 12.025 4.519 146 2HA GLY 18 2HA GLY 18 -3.752 13.256 3.688 147 H ASP 19 H ASP 19 -3.436 12.527 1.209 148 HA ASP 19 HA ASP 19 -6.016 12.893 0.019 149 1HB ASP 19 1HB ASP 19 -4.064 13.858 -1.018 150 2HB ASP 19 2HB ASP 19 -3.300 12.266 -1.180 151 HA PRO 20 HA PRO 20 -6.731 8.370 0.252 152 1HB PRO 20 1HB PRO 20 -9.145 8.312 -1.109 153 2HB PRO 20 2HB PRO 20 -8.975 8.675 0.643 154 1HG PRO 20 1HG PRO 20 -9.240 10.577 -1.695 155 2HG PRO 20 2HG PRO 20 -10.076 10.660 -0.117 156 1HD PRO 20 1HD PRO 20 -7.923 12.171 -0.646 157 2HD PRO 20 2HD PRO 20 -8.118 11.432 0.969 158 H ASN 21 H ASN 21 -6.652 10.409 -2.597 159 HA ASN 21 HA ASN 21 -6.913 8.292 -4.550 160 1HB ASN 21 1HB ASN 21 -6.051 11.182 -4.849 161 2HB ASN 21 2HB ASN 21 -6.572 10.102 -6.139 162 1HD2 ASN 21 1HD2 ASN 21 -9.342 12.085 -3.945 163 2HD2 ASN 21 2HD2 ASN 21 -7.622 12.241 -3.600 164 H GLN 22 H GLN 22 -4.226 9.121 -2.613 165 HA GLN 22 HA GLN 22 -2.327 8.173 -4.697 166 1HB GLN 22 1HB GLN 22 -2.710 10.577 -4.959 167 2HB GLN 22 2HB GLN 22 -2.188 10.858 -3.296 168 1HG GLN 22 1HG GLN 22 0.048 10.274 -3.822 169 2HG GLN 22 2HG GLN 22 -0.410 9.432 -5.319 170 1HE2 GLN 22 1HE2 GLN 22 0.429 13.379 -5.533 171 2HE2 GLN 22 2HE2 GLN 22 0.681 12.470 -4.051 172 H LEU 23 H LEU 23 -0.850 6.750 -3.913 173 HA LEU 23 HA LEU 23 -0.385 6.539 -0.998 174 1HB LEU 23 1HB LEU 23 0.363 4.769 -3.349 175 2HB LEU 23 2HB LEU 23 0.751 4.469 -1.671 176 HG LEU 23 HG LEU 23 -2.127 4.695 -2.592 177 1HD1 LEU 23 3HD1 LEU 23 -0.957 2.867 -3.824 178 2HD1 LEU 23 1HD1 LEU 23 -0.350 2.242 -2.280 179 3HD1 LEU 23 2HD1 LEU 23 -2.087 2.207 -2.617 180 1HD2 LEU 23 1HD2 LEU 23 -1.576 4.874 -0.108 181 2HD2 LEU 23 2HD2 LEU 23 -2.581 3.478 -0.538 182 3HD2 LEU 23 3HD2 LEU 23 -0.853 3.260 -0.211 183 H SER 24 H SER 24 1.630 6.955 -0.101 184 HA SER 24 HA SER 24 3.861 7.921 -1.746 185 1HB SER 24 1HB SER 24 4.934 8.196 0.461 186 2HB SER 24 2HB SER 24 3.328 8.908 0.452 187 HG SER 24 HG SER 24 3.357 7.668 2.270 188 H LYS 25 H LYS 25 6.079 6.842 -1.113 189 HA LYS 25 HA LYS 25 6.105 4.096 -1.831 190 1HB LYS 25 1HB LYS 25 8.152 5.774 -0.271 191 2HB LYS 25 2HB LYS 25 8.450 4.133 -0.855 192 1HG LYS 25 1HG LYS 25 8.099 4.870 -3.171 193 2HG LYS 25 2HG LYS 25 7.746 6.507 -2.604 194 1HD LYS 25 1HD LYS 25 9.909 6.873 -3.107 195 2HD LYS 25 2HD LYS 25 10.205 6.218 -1.494 196 1HE LYS 25 1HE LYS 25 10.296 4.702 -4.162 197 2HE LYS 25 2HE LYS 25 11.696 5.230 -3.216 198 1HZ LYS 25 3HZ LYS 25 10.966 3.795 -1.444 199 2HZ LYS 25 1HZ LYS 25 9.701 3.262 -2.358 200 3HZ LYS 25 2HZ LYS 25 11.251 2.953 -2.831 201 H GLU 26 H GLU 26 6.172 5.785 1.291 202 HA GLU 26 HA GLU 26 6.549 3.487 2.910 203 1HB GLU 26 1HB GLU 26 5.003 5.999 3.774 204 2HB GLU 26 2HB GLU 26 5.931 4.881 4.769 205 1HG GLU 26 1HG GLU 26 7.339 6.633 4.648 206 2HG GLU 26 2HG GLU 26 7.986 5.697 3.296 207 H GLU 27 H GLU 27 3.593 5.266 2.112 208 HA GLU 27 HA GLU 27 1.858 3.364 3.382 209 1HB GLU 27 1HB GLU 27 1.466 5.517 1.335 210 2HB GLU 27 2HB GLU 27 0.188 4.319 1.552 211 1HG GLU 27 1HG GLU 27 -0.068 6.349 3.031 212 2HG GLU 27 2HG GLU 27 -0.093 4.788 3.848 213 H LEU 28 H LEU 28 3.136 3.331 -0.046 214 HA LEU 28 HA LEU 28 1.928 0.806 -0.590 215 1HB LEU 28 1HB LEU 28 4.445 2.160 -1.594 216 2HB LEU 28 2HB LEU 28 4.049 0.513 -2.110 217 HG LEU 28 HG LEU 28 1.982 2.663 -2.174 218 1HD1 LEU 28 1HD1 LEU 28 4.045 2.122 -4.328 219 2HD1 LEU 28 2HD1 LEU 28 2.575 3.111 -4.534 220 3HD1 LEU 28 3HD1 LEU 28 3.821 3.624 -3.381 221 1HD2 LEU 28 1HD2 LEU 28 1.254 0.280 -2.630 222 2HD2 LEU 28 2HD2 LEU 28 1.082 1.272 -4.085 223 3HD2 LEU 28 3HD2 LEU 28 2.463 0.176 -3.919 224 H LYS 29 H LYS 29 4.979 1.471 1.133 225 HA LYS 29 HA LYS 29 5.724 -1.293 1.165 226 1HB LYS 29 1HB LYS 29 7.105 0.786 1.773 227 2HB LYS 29 2HB LYS 29 6.212 0.883 3.268 228 1HG LYS 29 1HG LYS 29 7.013 -1.421 3.882 229 2HG LYS 29 2HG LYS 29 8.055 -1.413 2.455 230 1HD LYS 29 1HD LYS 29 8.037 0.792 4.566 231 2HD LYS 29 2HD LYS 29 9.047 -0.650 4.760 232 1HE LYS 29 1HE LYS 29 9.247 1.332 2.437 233 2HE LYS 29 2HE LYS 29 10.294 1.306 3.860 234 1HZ LYS 29 3HZ LYS 29 10.996 -0.888 3.264 235 2HZ LYS 29 1HZ LYS 29 10.041 -0.879 1.922 236 3HZ LYS 29 2HZ LYS 29 11.298 0.176 2.043 237 H LEU 30 H LEU 30 3.967 0.683 3.524 238 HA LEU 30 HA LEU 30 3.425 -1.493 5.311 239 1HB LEU 30 1HB LEU 30 1.863 1.087 4.881 240 2HB LEU 30 2HB LEU 30 1.636 -0.017 6.249 241 HG LEU 30 HG LEU 30 4.199 1.527 5.629 242 1HD1 LEU 30 3HD1 LEU 30 2.291 2.914 6.424 243 2HD1 LEU 30 1HD1 LEU 30 2.162 1.877 7.863 244 3HD1 LEU 30 2HD1 LEU 30 3.622 2.850 7.590 245 1HD2 LEU 30 3HD2 LEU 30 3.492 -0.335 7.939 246 2HD2 LEU 30 1HD2 LEU 30 4.809 -0.544 6.761 247 3HD2 LEU 30 2HD2 LEU 30 4.876 0.778 7.927 248 H LEU 31 H LEU 31 1.488 -0.192 2.651 249 HA LEU 31 HA LEU 31 -0.728 -1.917 2.794 250 1HB LEU 31 1HB LEU 31 -0.469 0.027 1.322 251 2HB LEU 31 2HB LEU 31 0.699 -0.832 0.332 252 HG LEU 31 HG LEU 31 -2.151 -1.789 0.706 253 1HD1 LEU 31 1HD1 LEU 31 -0.966 0.100 -1.376 254 2HD1 LEU 31 2HD1 LEU 31 -2.577 -0.621 -1.506 255 3HD1 LEU 31 3HD1 LEU 31 -2.220 0.500 -0.184 256 1HD2 LEU 31 3HD2 LEU 31 -0.042 -2.314 -1.451 257 2HD2 LEU 31 1HD2 LEU 31 -0.698 -3.502 -0.307 258 3HD2 LEU 31 2HD2 LEU 31 -1.738 -2.828 -1.556 259 H LEU 32 H LEU 32 2.305 -2.356 0.993 260 HA LEU 32 HA LEU 32 1.758 -4.988 0.051 261 1HB LEU 32 1HB LEU 32 4.374 -3.560 0.667 262 2HB LEU 32 2HB LEU 32 4.319 -5.157 -0.075 263 HG LEU 32 HG LEU 32 2.836 -2.816 -1.330 264 1HD1 LEU 32 1HD1 LEU 32 5.731 -3.660 -1.806 265 2HD1 LEU 32 2HD1 LEU 32 4.822 -2.469 -2.762 266 3HD1 LEU 32 3HD1 LEU 32 5.195 -2.138 -1.064 267 1HD2 LEU 32 3HD2 LEU 32 4.020 -5.384 -2.445 268 2HD2 LEU 32 1HD2 LEU 32 2.289 -5.092 -2.145 269 3HD2 LEU 32 2HD2 LEU 32 3.149 -4.145 -3.372 270 H GLN 33 H GLN 33 3.732 -3.996 2.873 271 HA GLN 33 HA GLN 33 4.354 -6.529 3.815 272 1HB GLN 33 1HB GLN 33 5.367 -4.379 4.554 273 2HB GLN 33 2HB GLN 33 3.870 -3.978 5.412 274 1HG GLN 33 1HG GLN 33 4.220 -5.995 6.876 275 2HG GLN 33 2HG GLN 33 5.715 -6.339 5.989 276 1HE2 GLN 33 1HE2 GLN 33 5.566 -3.082 8.544 277 2HE2 GLN 33 2HE2 GLN 33 4.076 -3.695 7.844 278 H THR 34 H THR 34 1.571 -4.518 4.711 279 HA THR 34 HA THR 34 0.660 -6.424 6.693 280 HB THR 34 HB THR 34 -0.925 -4.166 5.434 281 HG1 THR 34 HG1 THR 34 0.962 -3.309 6.187 282 1HG2 THR 34 1HG2 THR 34 -1.061 -5.510 8.175 283 2HG2 THR 34 2HG2 THR 34 -2.032 -4.115 7.675 284 3HG2 THR 34 3HG2 THR 34 -2.263 -5.676 6.877 285 H GLU 35 H GLU 35 -0.485 -5.531 3.357 286 HA GLU 35 HA GLU 35 -2.678 -7.461 3.639 287 1HB GLU 35 1HB GLU 35 -2.048 -5.349 1.544 288 2HB GLU 35 2HB GLU 35 -3.533 -6.280 1.678 289 1HG GLU 35 1HG GLU 35 -2.444 -4.303 3.754 290 2HG GLU 35 2HG GLU 35 -3.688 -3.959 2.583 291 H PHE 36 H PHE 36 0.344 -7.101 1.840 292 HA PHE 36 HA PHE 36 -0.206 -9.678 0.428 293 1HB PHE 36 1HB PHE 36 0.774 -7.164 -0.921 294 2HB PHE 36 2HB PHE 36 0.565 -8.760 -1.632 295 HD1 PHE 36 HD2 PHE 36 -1.107 -5.718 -0.502 296 HD2 PHE 36 HD1 PHE 36 -1.637 -9.579 -2.310 297 HE1 PHE 36 HE2 PHE 36 -3.390 -5.051 -1.248 298 HE2 PHE 36 HE1 PHE 36 -3.817 -8.805 -3.281 299 HZ PHE 36 HZ PHE 36 -4.783 -6.652 -2.529 300 HA PRO 37 HA PRO 37 4.117 -9.570 2.342 301 1HB PRO 37 1HB PRO 37 3.037 -12.380 2.689 302 2HB PRO 37 2HB PRO 37 4.205 -11.504 3.721 303 1HG PRO 37 1HG PRO 37 1.605 -11.658 4.473 304 2HG PRO 37 2HG PRO 37 2.463 -10.094 4.586 305 1HD PRO 37 1HD PRO 37 0.535 -11.005 2.442 306 2HD PRO 37 2HD PRO 37 0.678 -9.430 3.277 307 H SER 38 H SER 38 2.233 -11.425 -0.046 308 HA SER 38 HA SER 38 4.351 -12.925 -1.273 309 1HB SER 38 1HB SER 38 2.533 -12.836 -3.141 310 2HB SER 38 2HB SER 38 2.088 -13.605 -1.604 311 HG SER 38 HG SER 38 0.489 -12.097 -2.236 312 H LEU 39 H LEU 39 2.468 -10.145 -2.337 313 HA LEU 39 HA LEU 39 4.104 -9.289 -4.438 314 1HB LEU 39 1HB LEU 39 2.325 -7.644 -2.643 315 2HB LEU 39 2HB LEU 39 2.973 -7.070 -4.191 316 HG LEU 39 HG LEU 39 1.114 -9.453 -3.836 317 1HD1 LEU 39 3HD1 LEU 39 0.165 -7.069 -3.491 318 2HD1 LEU 39 1HD1 LEU 39 0.563 -6.770 -5.184 319 3HD1 LEU 39 2HD1 LEU 39 -0.606 -8.040 -4.753 320 1HD2 LEU 39 3HD2 LEU 39 2.221 -8.158 -6.347 321 2HD2 LEU 39 1HD2 LEU 39 2.507 -9.833 -5.811 322 3HD2 LEU 39 2HD2 LEU 39 0.896 -9.343 -6.323 323 H LEU 40 H LEU 40 4.351 -8.451 -1.011 324 HA LEU 40 HA LEU 40 6.278 -6.440 -1.128 325 1HB LEU 40 1HB LEU 40 5.191 -7.371 0.968 326 2HB LEU 40 2HB LEU 40 6.268 -8.763 0.826 327 HG LEU 40 HG LEU 40 8.237 -7.117 0.960 328 1HD1 LEU 40 1HD1 LEU 40 6.023 -5.259 1.945 329 2HD1 LEU 40 2HD1 LEU 40 7.766 -4.961 2.073 330 3HD1 LEU 40 3HD1 LEU 40 7.001 -5.015 0.481 331 1HD2 LEU 40 3HD2 LEU 40 6.377 -7.408 3.343 332 2HD2 LEU 40 1HD2 LEU 40 7.593 -8.579 2.806 333 3HD2 LEU 40 2HD2 LEU 40 8.101 -6.993 3.410 334 H LYS 41 H LYS 41 6.763 -9.934 -1.524 335 HA LYS 41 HA LYS 41 9.679 -9.596 -1.995 336 1HB LYS 41 1HB LYS 41 7.809 -11.958 -1.615 337 2HB LYS 41 2HB LYS 41 9.367 -12.147 -2.407 338 1HG LYS 41 1HG LYS 41 9.620 -12.703 -0.098 339 2HG LYS 41 2HG LYS 41 10.547 -11.238 -0.455 340 1HD LYS 41 1HD LYS 41 8.817 -9.848 0.627 341 2HD LYS 41 2HD LYS 41 7.763 -11.261 0.802 342 1HE LYS 41 1HE LYS 41 8.823 -10.762 2.935 343 2HE LYS 41 2HE LYS 41 9.418 -12.314 2.328 344 1HZ LYS 41 1HZ LYS 41 10.815 -9.735 2.102 345 2HZ LYS 41 2HZ LYS 41 11.170 -10.931 3.179 346 3HZ LYS 41 3HZ LYS 41 11.384 -11.187 1.567 347 H GLY 42 H GLY 42 6.669 -10.312 -3.685 348 1HA GLY 42 1HA GLY 42 7.852 -11.207 -6.139 349 2HA GLY 42 2HA GLY 42 6.160 -10.783 -5.860 350 H GLY 43 H GLY 43 9.230 -8.884 -5.816 351 1HA GLY 43 1HA GLY 43 8.853 -7.617 -8.324 352 2HA GLY 43 2HA GLY 43 8.291 -6.534 -7.028 353 H SER 44 H SER 44 10.815 -6.559 -8.844 354 HA SER 44 HA SER 44 13.056 -7.417 -7.723 355 1HB SER 44 1HB SER 44 12.805 -4.719 -9.086 356 2HB SER 44 2HB SER 44 14.167 -5.861 -9.171 357 HG SER 44 HG SER 44 12.783 -6.044 -10.999 358 H THR 45 H THR 45 11.715 -4.139 -6.998 359 HA THR 45 HA THR 45 12.610 -4.326 -4.276 360 HB THR 45 HB THR 45 13.695 -2.065 -4.276 361 HG1 THR 45 HG1 THR 45 14.054 -2.389 -7.041 362 1HG2 THR 45 3HG2 THR 45 15.136 -4.088 -4.241 363 2HG2 THR 45 1HG2 THR 45 15.287 -3.995 -6.006 364 3HG2 THR 45 2HG2 THR 45 15.901 -2.677 -4.998 365 H LEU 46 H LEU 46 11.532 -2.610 -3.027 366 HA LEU 46 HA LEU 46 8.963 -1.830 -3.878 367 1HB LEU 46 1HB LEU 46 9.646 -1.774 -1.511 368 2HB LEU 46 2HB LEU 46 10.912 -0.593 -1.886 369 HG LEU 46 HG LEU 46 9.197 1.100 -2.471 370 1HD1 LEU 46 1HD1 LEU 46 7.223 -1.028 -1.533 371 2HD1 LEU 46 2HD1 LEU 46 6.822 0.678 -1.821 372 3HD1 LEU 46 3HD1 LEU 46 7.317 -0.348 -3.174 373 1HD2 LEU 46 1HD2 LEU 46 10.118 0.963 -0.192 374 2HD2 LEU 46 2HD2 LEU 46 8.436 1.523 -0.191 375 3HD2 LEU 46 3HD2 LEU 46 8.809 -0.156 0.261 376 H ASP 47 H ASP 47 12.073 -0.137 -4.083 377 HA ASP 47 HA ASP 47 11.144 2.274 -5.171 378 1HB ASP 47 1HB ASP 47 13.800 0.833 -5.628 379 2HB ASP 47 2HB ASP 47 13.488 2.548 -5.925 380 H GLU 48 H GLU 48 12.373 -0.602 -6.889 381 HA GLU 48 HA GLU 48 11.825 0.416 -9.499 382 1HB GLU 48 1HB GLU 48 12.096 -2.402 -8.435 383 2HB GLU 48 2HB GLU 48 11.812 -2.059 -10.150 384 1HG GLU 48 1HG GLU 48 13.837 -0.802 -10.382 385 2HG GLU 48 2HG GLU 48 14.121 -0.760 -8.640 386 H LEU 49 H LEU 49 9.781 -1.529 -7.311 387 HA LEU 49 HA LEU 49 7.536 -1.709 -9.082 388 1HB LEU 49 1HB LEU 49 7.721 -1.581 -6.048 389 2HB LEU 49 2HB LEU 49 6.183 -1.745 -6.887 390 HG LEU 49 HG LEU 49 8.462 -3.744 -7.181 391 1HD1 LEU 49 1HD1 LEU 49 5.971 -3.783 -5.413 392 2HD1 LEU 49 2HD1 LEU 49 7.074 -5.150 -5.642 393 3HD1 LEU 49 3HD1 LEU 49 7.654 -3.676 -4.857 394 1HD2 LEU 49 3HD2 LEU 49 5.509 -3.803 -7.980 395 2HD2 LEU 49 1HD2 LEU 49 6.901 -3.830 -9.084 396 3HD2 LEU 49 2HD2 LEU 49 6.588 -5.206 -8.027 397 H PHE 50 H PHE 50 8.312 0.723 -6.617 398 HA PHE 50 HA PHE 50 6.070 2.369 -6.951 399 1HB PHE 50 1HB PHE 50 7.711 2.537 -5.112 400 2HB PHE 50 2HB PHE 50 8.935 3.121 -6.230 401 HD1 PHE 50 HD1 PHE 50 5.697 3.918 -4.606 402 HD2 PHE 50 HD2 PHE 50 9.032 5.464 -6.852 403 HE1 PHE 50 HE1 PHE 50 5.147 6.173 -3.841 404 HE2 PHE 50 HE2 PHE 50 8.394 7.766 -6.191 405 HZ PHE 50 HZ PHE 50 6.534 8.111 -4.587 406 H GLU 51 H GLU 51 9.262 2.577 -8.592 407 HA GLU 51 HA GLU 51 8.574 4.754 -10.261 408 1HB GLU 51 1HB GLU 51 10.892 3.823 -9.823 409 2HB GLU 51 2HB GLU 51 10.492 2.449 -10.860 410 1HG GLU 51 1HG GLU 51 11.793 4.093 -12.106 411 2HG GLU 51 2HG GLU 51 10.165 3.999 -12.784 412 H GLU 52 H GLU 52 8.304 1.256 -10.800 413 HA GLU 52 HA GLU 52 7.328 1.331 -13.451 414 1HB GLU 52 1HB GLU 52 8.169 -0.695 -12.255 415 2HB GLU 52 2HB GLU 52 6.693 -0.707 -11.276 416 1HG GLU 52 1HG GLU 52 5.335 -1.025 -13.338 417 2HG GLU 52 2HG GLU 52 6.824 -1.025 -14.301 418 H LEU 53 H LEU 53 5.605 1.593 -10.354 419 HA LEU 53 HA LEU 53 2.983 1.641 -11.620 420 1HB LEU 53 1HB LEU 53 3.875 2.338 -8.794 421 2HB LEU 53 2HB LEU 53 2.229 2.185 -9.400 422 HG LEU 53 HG LEU 53 4.245 -0.062 -9.088 423 1HD1 LEU 53 3HD1 LEU 53 3.103 0.742 -7.036 424 2HD1 LEU 53 1HD1 LEU 53 1.535 0.410 -7.804 425 3HD1 LEU 53 2HD1 LEU 53 2.665 -0.919 -7.464 426 1HD2 LEU 53 3HD2 LEU 53 1.480 -0.219 -10.303 427 2HD2 LEU 53 1HD2 LEU 53 3.030 -0.497 -11.145 428 3HD2 LEU 53 2HD2 LEU 53 2.533 -1.595 -9.876 429 H ASP 54 H ASP 54 5.116 4.097 -10.236 430 HA ASP 54 HA ASP 54 3.251 6.271 -10.590 431 1HB ASP 54 1HB ASP 54 4.979 6.268 -8.835 432 2HB ASP 54 2HB ASP 54 6.232 6.297 -10.066 433 H LYS 55 H LYS 55 3.035 5.293 -12.981 434 HA LYS 55 HA LYS 55 4.963 5.938 -14.948 435 1HB LYS 55 1HB LYS 55 1.975 5.435 -15.034 436 2HB LYS 55 2HB LYS 55 2.895 5.752 -16.513 437 1HG LYS 55 1HG LYS 55 3.876 3.645 -14.572 438 2HG LYS 55 2HG LYS 55 2.557 3.272 -15.688 439 1HD LYS 55 1HD LYS 55 3.882 3.646 -17.619 440 2HD LYS 55 2HD LYS 55 5.137 4.508 -16.724 441 1HE LYS 55 1HE LYS 55 5.799 2.193 -17.409 442 2HE LYS 55 2HE LYS 55 5.940 2.514 -15.672 443 1HZ LYS 55 1HZ LYS 55 3.638 1.154 -16.882 444 2HZ LYS 55 2HZ LYS 55 4.933 0.386 -16.202 445 3HZ LYS 55 3HZ LYS 55 3.983 1.351 -15.272 446 H ASN 56 H ASN 56 2.439 7.935 -13.503 447 HA ASN 56 HA ASN 56 2.778 10.059 -15.496 448 1HB ASN 56 1HB ASN 56 1.221 11.327 -14.294 449 2HB ASN 56 2HB ASN 56 0.622 9.663 -14.318 450 1HD2 ASN 56 1HD2 ASN 56 0.043 10.705 -10.863 451 2HD2 ASN 56 2HD2 ASN 56 -0.715 10.857 -12.457 452 H GLY 57 H GLY 57 4.706 8.993 -12.881 453 1HA GLY 57 1HA GLY 57 6.537 9.851 -11.900 454 2HA GLY 57 2HA GLY 57 6.598 11.051 -13.195 455 H ASP 58 H ASP 58 3.816 10.805 -10.888 456 HA ASP 58 HA ASP 58 4.266 13.563 -10.172 457 1HB ASP 58 1HB ASP 58 2.223 13.496 -9.106 458 2HB ASP 58 2HB ASP 58 2.035 12.601 -10.599 459 H GLY 59 H GLY 59 5.664 10.728 -8.935 460 1HA GLY 59 1HA GLY 59 7.294 10.702 -7.293 461 2HA GLY 59 2HA GLY 59 6.735 12.247 -6.643 462 H GLU 60 H GLU 60 4.190 10.030 -7.220 463 HA GLU 60 HA GLU 60 4.232 8.358 -4.859 464 1HB GLU 60 1HB GLU 60 2.187 10.598 -5.226 465 2HB GLU 60 2HB GLU 60 1.996 9.208 -4.154 466 1HG GLU 60 1HG GLU 60 4.167 9.988 -3.003 467 2HG GLU 60 2HG GLU 60 3.930 11.515 -3.869 468 H VAL 61 H VAL 61 1.989 7.154 -5.056 469 HA VAL 61 HA VAL 61 1.572 6.628 -7.994 470 HB VAL 61 HB VAL 61 1.194 4.610 -5.778 471 1HG1 VAL 61 3HG1 VAL 61 0.105 4.311 -8.068 472 2HG1 VAL 61 1HG1 VAL 61 1.744 4.340 -8.758 473 3HG1 VAL 61 2HG1 VAL 61 1.262 3.052 -7.613 474 1HG2 VAL 61 3HG2 VAL 61 3.674 5.201 -7.448 475 2HG2 VAL 61 1HG2 VAL 61 3.548 5.184 -5.677 476 3HG2 VAL 61 2HG2 VAL 61 3.414 3.675 -6.597 477 H SER 62 H SER 62 -0.344 7.422 -8.661 478 HA SER 62 HA SER 62 -2.610 7.553 -6.801 479 1HB SER 62 1HB SER 62 -2.150 9.425 -8.346 480 2HB SER 62 2HB SER 62 -2.560 8.364 -9.711 481 HG SER 62 HG SER 62 -4.237 8.983 -7.478 482 H PHE 63 H PHE 63 -4.778 6.748 -7.571 483 HA PHE 63 HA PHE 63 -4.568 3.949 -7.539 484 1HB PHE 63 1HB PHE 63 -6.473 5.153 -6.579 485 2HB PHE 63 2HB PHE 63 -7.047 5.567 -8.195 486 HD1 PHE 63 HD1 PHE 63 -6.052 2.598 -6.112 487 HD2 PHE 63 HD2 PHE 63 -8.540 4.028 -9.323 488 HE1 PHE 63 HE1 PHE 63 -7.179 0.405 -6.207 489 HE2 PHE 63 HE2 PHE 63 -9.629 1.805 -9.454 490 HZ PHE 63 HZ PHE 63 -8.960 -0.014 -7.869 491 H GLU 64 H GLU 64 -5.279 6.084 -10.300 492 HA GLU 64 HA GLU 64 -6.072 3.993 -12.070 493 1HB GLU 64 1HB GLU 64 -4.783 6.699 -12.708 494 2HB GLU 64 2HB GLU 64 -5.576 5.628 -13.875 495 1HG GLU 64 1HG GLU 64 -7.706 5.816 -12.598 496 2HG GLU 64 2HG GLU 64 -6.932 6.939 -11.467 497 H GLU 65 H GLU 65 -2.882 5.659 -11.767 498 HA GLU 65 HA GLU 65 -1.592 3.832 -13.551 499 1HB GLU 65 1HB GLU 65 0.460 4.885 -12.893 500 2HB GLU 65 2HB GLU 65 -0.797 6.077 -13.201 501 1HG GLU 65 1HG GLU 65 -1.208 6.237 -10.717 502 2HG GLU 65 2HG GLU 65 0.182 5.166 -10.462 503 H PHE 66 H PHE 66 -2.051 3.774 -10.010 504 HA PHE 66 HA PHE 66 -0.526 1.502 -9.320 505 1HB PHE 66 1HB PHE 66 -1.588 2.753 -7.608 506 2HB PHE 66 2HB PHE 66 -3.117 2.648 -8.445 507 HD1 PHE 66 HD1 PHE 66 -0.759 0.594 -6.396 508 HD2 PHE 66 HD2 PHE 66 -4.687 1.027 -8.059 509 HE1 PHE 66 HE1 PHE 66 -1.631 -1.132 -4.820 510 HE2 PHE 66 HE2 PHE 66 -5.467 -0.959 -6.818 511 HZ PHE 66 HZ PHE 66 -3.996 -1.875 -4.970 512 H GLN 67 H GLN 67 -3.497 1.634 -11.329 513 HA GLN 67 HA GLN 67 -4.120 -1.117 -11.148 514 1HB GLN 67 1HB GLN 67 -4.379 0.577 -13.659 515 2HB GLN 67 2HB GLN 67 -5.107 -0.997 -13.363 516 1HG GLN 67 1HG GLN 67 -5.852 1.612 -12.034 517 2HG GLN 67 2HG GLN 67 -6.841 0.544 -13.016 518 1HE2 GLN 67 1HE2 GLN 67 -6.480 0.019 -8.983 519 2HE2 GLN 67 2HE2 GLN 67 -5.762 1.352 -9.871 520 H VAL 68 H VAL 68 -1.285 0.311 -12.630 521 HA VAL 68 HA VAL 68 -0.475 -1.860 -14.287 522 HB VAL 68 HB VAL 68 1.130 0.120 -12.652 523 1HG1 VAL 68 1HG1 VAL 68 2.064 -1.827 -14.810 524 2HG1 VAL 68 2HG1 VAL 68 3.022 -0.488 -14.146 525 3HG1 VAL 68 3HG1 VAL 68 2.564 -1.838 -13.107 526 1HG2 VAL 68 1HG2 VAL 68 -0.296 1.065 -14.516 527 2HG2 VAL 68 2HG2 VAL 68 1.440 1.234 -14.809 528 3HG2 VAL 68 3HG2 VAL 68 0.518 -0.032 -15.642 529 H LEU 69 H LEU 69 -0.528 -1.502 -10.746 530 HA LEU 69 HA LEU 69 0.916 -4.009 -10.308 531 1HB LEU 69 1HB LEU 69 0.760 -2.031 -8.618 532 2HB LEU 69 2HB LEU 69 -0.912 -2.501 -8.382 533 HG LEU 69 HG LEU 69 -0.075 -4.818 -7.725 534 1HD1 LEU 69 1HD1 LEU 69 2.609 -3.367 -7.647 535 2HD1 LEU 69 2HD1 LEU 69 2.276 -4.953 -6.924 536 3HD1 LEU 69 3HD1 LEU 69 2.206 -4.758 -8.676 537 1HD2 LEU 69 3HD2 LEU 69 0.781 -2.419 -6.058 538 2HD2 LEU 69 1HD2 LEU 69 -0.827 -3.177 -6.082 539 3HD2 LEU 69 2HD2 LEU 69 0.561 -4.075 -5.450 540 H VAL 70 H VAL 70 -2.491 -2.860 -10.080 541 HA VAL 70 HA VAL 70 -3.631 -5.257 -9.273 542 HB VAL 70 HB VAL 70 -4.872 -3.211 -11.158 543 1HG1 VAL 70 1HG1 VAL 70 -6.164 -5.339 -9.414 544 2HG1 VAL 70 2HG1 VAL 70 -7.029 -3.992 -10.180 545 3HG1 VAL 70 3HG1 VAL 70 -6.233 -5.208 -11.181 546 1HG2 VAL 70 3HG2 VAL 70 -4.780 -3.405 -8.107 547 2HG2 VAL 70 1HG2 VAL 70 -4.100 -2.114 -9.096 548 3HG2 VAL 70 2HG2 VAL 70 -5.852 -2.318 -8.999 549 H LYS 71 H LYS 71 -2.938 -4.300 -12.677 550 HA LYS 71 HA LYS 71 -4.113 -6.658 -13.790 551 1HB LYS 71 1HB LYS 71 -2.930 -6.138 -15.808 552 2HB LYS 71 2HB LYS 71 -3.699 -4.708 -15.075 553 1HG LYS 71 1HG LYS 71 -1.500 -3.940 -14.281 554 2HG LYS 71 2HG LYS 71 -0.719 -5.367 -14.947 555 1HD LYS 71 1HD LYS 71 -0.428 -3.410 -16.405 556 2HD LYS 71 2HD LYS 71 -1.263 -4.739 -17.210 557 1HE LYS 71 1HE LYS 71 -2.243 -2.526 -17.759 558 2HE LYS 71 2HE LYS 71 -3.418 -3.607 -17.013 559 1HZ LYS 71 3HZ LYS 71 -2.980 -2.458 -14.915 560 2HZ LYS 71 1HZ LYS 71 -1.969 -1.417 -15.694 561 3HZ LYS 71 2HZ LYS 71 -3.568 -1.450 -16.079 562 H LYS 72 H LYS 72 -0.929 -6.043 -12.437 563 HA LYS 72 HA LYS 72 0.351 -8.518 -13.304 564 1HB LYS 72 1HB LYS 72 1.603 -6.562 -13.218 565 2HB LYS 72 2HB LYS 72 1.084 -6.147 -11.604 566 1HG LYS 72 1HG LYS 72 2.855 -8.529 -12.329 567 2HG LYS 72 2HG LYS 72 3.375 -6.957 -11.669 568 1HD LYS 72 1HD LYS 72 1.425 -7.488 -9.919 569 2HD LYS 72 2HD LYS 72 1.830 -9.163 -10.377 570 1HE LYS 72 1HE LYS 72 3.787 -7.098 -9.227 571 2HE LYS 72 2HE LYS 72 3.116 -8.491 -8.368 572 1HZ LYS 72 3HZ LYS 72 4.207 -9.924 -9.918 573 2HZ LYS 72 1HZ LYS 72 4.875 -8.634 -10.698 574 3HZ LYS 72 2HZ LYS 72 5.281 -8.949 -9.128 575 H ILE 73 H ILE 73 -1.286 -7.346 -10.371 576 HA ILE 73 HA ILE 73 -1.056 -9.784 -8.892 577 HB ILE 73 HB ILE 73 -3.359 -7.783 -8.870 578 1HG1 ILE 73 1HG1 ILE 73 -0.883 -8.030 -7.111 579 2HG1 ILE 73 2HG1 ILE 73 -1.191 -6.767 -8.297 580 1HG2 ILE 73 3HG2 ILE 73 -4.008 -9.993 -7.911 581 2HG2 ILE 73 1HG2 ILE 73 -2.610 -9.907 -6.819 582 3HG2 ILE 73 2HG2 ILE 73 -3.947 -8.742 -6.689 583 1HD1 ILE 73 3HD1 ILE 73 -3.219 -6.069 -7.003 584 2HD1 ILE 73 1HD1 ILE 73 -2.716 -7.190 -5.714 585 3HD1 ILE 73 2HD1 ILE 73 -1.678 -5.836 -6.161 586 H SER 74 H SER 74 -3.432 -8.672 -11.264 587 HA SER 74 HA SER 74 -4.936 -11.139 -11.311 588 1HB SER 74 1HB SER 74 -4.859 -8.977 -13.443 589 2HB SER 74 2HB SER 74 -6.143 -10.150 -13.129 590 HG SER 74 HG SER 74 -5.295 -8.035 -11.412 591 H GLN 75 H GLN 75 -1.793 -10.800 -12.275 592 HA GLN 75 HA GLN 75 -0.520 -11.416 -14.049 593 1HB GLN 75 1HB GLN 75 -1.909 -13.866 -12.936 594 2HB GLN 75 2HB GLN 75 -0.531 -14.017 -14.025 595 1HG GLN 75 1HG GLN 75 -0.548 -12.630 -11.298 596 2HG GLN 75 2HG GLN 75 0.114 -14.222 -11.650 597 1HE2 GLN 75 1HE2 GLN 75 2.671 -12.269 -13.815 598 2HE2 GLN 75 2HE2 GLN 75 1.215 -13.075 -14.364 No H/Q in entry = 598 Start of MODEL 3 Raw file had 599 H/Q atoms Start of MODEL 3 1 1H LYS 1 2H LYS 1 -8.450 -10.364 -5.178 2 2H LYS 1 3H LYS 1 -8.657 -10.882 -3.591 3 3H LYS 1 1H LYS 1 -9.877 -11.127 -4.722 4 HA LYS 1 HA LYS 1 -10.439 -9.342 -3.273 5 1HB LYS 1 1HB LYS 1 -7.937 -8.094 -4.465 6 2HB LYS 1 2HB LYS 1 -9.050 -7.283 -3.355 7 1HG LYS 1 1HG LYS 1 -7.366 -9.741 -2.660 8 2HG LYS 1 2HG LYS 1 -6.899 -8.068 -2.334 9 1HD LYS 1 1HD LYS 1 -8.954 -7.777 -0.932 10 2HD LYS 1 2HD LYS 1 -9.323 -9.502 -1.167 11 1HE LYS 1 1HE LYS 1 -7.153 -10.112 -0.127 12 2HE LYS 1 2HE LYS 1 -6.753 -8.396 0.076 13 1HZ LYS 1 3HZ LYS 1 -8.643 -8.180 1.508 14 2HZ LYS 1 1HZ LYS 1 -9.014 -9.778 1.332 15 3HZ LYS 1 2HZ LYS 1 -7.609 -9.331 2.069 16 H SER 2 H SER 2 -11.927 -7.860 -4.219 17 HA SER 2 HA SER 2 -12.133 -7.851 -7.138 18 1HB SER 2 1HB SER 2 -14.204 -6.624 -6.709 19 2HB SER 2 2HB SER 2 -14.118 -8.002 -5.606 20 HG SER 2 HG SER 2 -14.305 -6.537 -4.086 21 HA PRO 3 HA PRO 3 -10.115 -3.838 -7.816 22 1HB PRO 3 1HB PRO 3 -12.809 -3.087 -8.992 23 2HB PRO 3 2HB PRO 3 -11.178 -2.687 -9.608 24 1HG PRO 3 1HG PRO 3 -12.539 -4.750 -10.706 25 2HG PRO 3 2HG PRO 3 -10.815 -4.971 -10.281 26 1HD PRO 3 1HD PRO 3 -13.248 -5.877 -8.737 27 2HD PRO 3 2HD PRO 3 -11.726 -6.753 -9.072 28 H GLU 4 H GLU 4 -13.504 -3.877 -6.615 29 HA GLU 4 HA GLU 4 -13.523 -1.397 -5.277 30 1HB GLU 4 1HB GLU 4 -15.071 -3.901 -4.598 31 2HB GLU 4 2HB GLU 4 -15.384 -2.250 -4.051 32 1HG GLU 4 1HG GLU 4 -16.667 -2.045 -5.860 33 2HG GLU 4 2HG GLU 4 -15.201 -1.824 -6.780 34 H GLU 5 H GLU 5 -12.556 -4.633 -4.141 35 HA GLU 5 HA GLU 5 -12.065 -3.751 -1.394 36 1HB GLU 5 1HB GLU 5 -11.443 -6.250 -2.964 37 2HB GLU 5 2HB GLU 5 -10.525 -5.907 -1.497 38 1HG GLU 5 1HG GLU 5 -12.420 -7.331 -0.954 39 2HG GLU 5 2HG GLU 5 -12.542 -5.768 -0.143 40 H LEU 6 H LEU 6 -10.091 -4.166 -4.311 41 HA LEU 6 HA LEU 6 -7.611 -3.334 -3.130 42 1HB LEU 6 1HB LEU 6 -8.642 -3.193 -5.989 43 2HB LEU 6 2HB LEU 6 -7.013 -2.830 -5.478 44 HG LEU 6 HG LEU 6 -8.446 -5.524 -5.433 45 1HD1 LEU 6 3HD1 LEU 6 -7.125 -4.759 -7.443 46 2HD1 LEU 6 1HD1 LEU 6 -5.685 -4.771 -6.372 47 3HD1 LEU 6 2HD1 LEU 6 -6.556 -6.278 -6.713 48 1HD2 LEU 6 3HD2 LEU 6 -5.935 -4.780 -3.892 49 2HD2 LEU 6 1HD2 LEU 6 -7.424 -5.543 -3.265 50 3HD2 LEU 6 2HD2 LEU 6 -6.361 -6.445 -4.343 51 H LYS 7 H LYS 7 -10.183 -1.407 -4.682 52 HA LYS 7 HA LYS 7 -8.912 1.078 -4.256 53 1HB LYS 7 1HB LYS 7 -11.018 0.718 -5.554 54 2HB LYS 7 2HB LYS 7 -11.902 0.484 -4.063 55 1HG LYS 7 1HG LYS 7 -12.205 2.749 -4.959 56 2HG LYS 7 2HG LYS 7 -11.534 2.746 -3.328 57 1HD LYS 7 1HD LYS 7 -9.293 3.263 -4.186 58 2HD LYS 7 2HD LYS 7 -9.865 3.075 -5.856 59 1HE LYS 7 1HE LYS 7 -11.332 5.026 -5.603 60 2HE LYS 7 2HE LYS 7 -10.875 5.183 -3.897 61 1HZ LYS 7 1HZ LYS 7 -9.040 5.427 -6.169 62 2HZ LYS 7 2HZ LYS 7 -9.658 6.678 -5.288 63 3HZ LYS 7 3HZ LYS 7 -8.638 5.596 -4.579 64 H GLY 8 H GLY 8 -10.994 -0.843 -2.148 65 1HA GLY 8 1HA GLY 8 -11.236 0.875 0.081 66 2HA GLY 8 2HA GLY 8 -11.230 -0.898 0.167 67 H ILE 9 H ILE 9 -8.834 -1.691 -0.457 68 HA ILE 9 HA ILE 9 -6.951 -1.199 1.642 69 HB ILE 9 HB ILE 9 -6.688 -2.258 -1.192 70 1HG1 ILE 9 1HG1 ILE 9 -6.903 -3.597 1.544 71 2HG1 ILE 9 2HG1 ILE 9 -8.176 -3.521 0.316 72 1HG2 ILE 9 3HG2 ILE 9 -4.487 -1.403 -0.378 73 2HG2 ILE 9 1HG2 ILE 9 -4.654 -2.456 1.038 74 3HG2 ILE 9 2HG2 ILE 9 -4.508 -3.136 -0.598 75 1HD1 ILE 9 3HD1 ILE 9 -6.678 -4.761 -1.255 76 2HD1 ILE 9 1HD1 ILE 9 -5.518 -4.962 0.068 77 3HD1 ILE 9 2HD1 ILE 9 -7.127 -5.688 0.195 78 H PHE 10 H PHE 10 -6.938 0.036 -1.750 79 HA PHE 10 HA PHE 10 -4.624 1.537 -1.536 80 1HB PHE 10 1HB PHE 10 -5.940 0.990 -3.607 81 2HB PHE 10 2HB PHE 10 -7.130 2.177 -3.129 82 HD1 PHE 10 HD1 PHE 10 -6.404 4.613 -2.832 83 HD2 PHE 10 HD2 PHE 10 -3.878 1.630 -4.666 84 HE1 PHE 10 HE1 PHE 10 -4.753 6.305 -3.413 85 HE2 PHE 10 HE2 PHE 10 -2.475 3.445 -5.634 86 HZ PHE 10 HZ PHE 10 -2.957 5.788 -5.092 87 H GLU 11 H GLU 11 -7.980 2.510 -0.775 88 HA GLU 11 HA GLU 11 -7.342 5.219 -0.040 89 1HB GLU 11 1HB GLU 11 -9.731 3.432 0.573 90 2HB GLU 11 2HB GLU 11 -9.616 5.136 1.048 91 1HG GLU 11 1HG GLU 11 -9.333 5.816 -1.303 92 2HG GLU 11 2HG GLU 11 -9.424 4.139 -1.831 93 H LYS 12 H LYS 12 -7.921 2.236 1.904 94 HA LYS 12 HA LYS 12 -7.555 3.182 4.491 95 1HB LYS 12 1HB LYS 12 -8.117 0.911 4.226 96 2HB LYS 12 2HB LYS 12 -6.763 0.586 3.130 97 1HG LYS 12 1HG LYS 12 -5.153 0.546 4.768 98 2HG LYS 12 2HG LYS 12 -6.193 1.330 5.984 99 1HD LYS 12 1HD LYS 12 -5.846 -1.106 6.362 100 2HD LYS 12 2HD LYS 12 -7.554 -0.654 6.218 101 1HE LYS 12 1HE LYS 12 -7.729 -1.576 4.011 102 2HE LYS 12 2HE LYS 12 -5.971 -1.684 3.837 103 1HZ LYS 12 3HZ LYS 12 -5.949 -3.352 5.531 104 2HZ LYS 12 1HZ LYS 12 -7.588 -3.271 5.692 105 3HZ LYS 12 2HZ LYS 12 -6.918 -3.802 4.282 106 H TYR 13 H TYR 13 -5.010 2.217 2.169 107 HA TYR 13 HA TYR 13 -2.928 2.980 4.054 108 1HB TYR 13 1HB TYR 13 -2.912 1.882 1.259 109 2HB TYR 13 2HB TYR 13 -1.439 2.367 2.102 110 HD1 TYR 13 HD1 TYR 13 -0.945 1.410 4.387 111 HD2 TYR 13 HD2 TYR 13 -4.069 -0.281 1.952 112 HE1 TYR 13 HE1 TYR 13 -0.997 -0.638 5.801 113 HE2 TYR 13 HE2 TYR 13 -3.918 -2.374 3.149 114 HH TYR 13 HH TYR 13 -1.721 -2.916 5.873 115 H ALA 14 H ALA 14 -4.173 4.435 1.065 116 HA ALA 14 HA ALA 14 -2.259 6.561 0.913 117 1HB ALA 14 3HB ALA 14 -3.590 5.728 -1.001 118 2HB ALA 14 1HB ALA 14 -5.057 6.382 -0.248 119 3HB ALA 14 2HB ALA 14 -3.756 7.470 -0.773 120 H ALA 15 H ALA 15 -5.391 6.330 2.506 121 HA ALA 15 HA ALA 15 -5.883 9.045 2.944 122 1HB ALA 15 1HB ALA 15 -6.597 6.655 4.691 123 2HB ALA 15 2HB ALA 15 -7.304 8.280 4.834 124 3HB ALA 15 3HB ALA 15 -7.562 7.335 3.357 125 H LYS 16 H LYS 16 -3.575 6.884 4.558 126 HA LYS 16 HA LYS 16 -3.365 8.235 7.038 127 1HB LYS 16 1HB LYS 16 -1.277 6.630 5.512 128 2HB LYS 16 2HB LYS 16 -1.151 7.148 7.200 129 1HG LYS 16 1HG LYS 16 -3.344 5.964 7.650 130 2HG LYS 16 2HG LYS 16 -3.232 5.210 6.060 131 1HD LYS 16 1HD LYS 16 -0.917 5.004 8.037 132 2HD LYS 16 2HD LYS 16 -2.352 4.005 8.248 133 1HE LYS 16 1HE LYS 16 -0.573 2.817 7.042 134 2HE LYS 16 2HE LYS 16 -2.083 2.928 6.133 135 1HZ LYS 16 1HZ LYS 16 0.232 4.702 5.748 136 2HZ LYS 16 2HZ LYS 16 -0.095 3.380 4.819 137 3HZ LYS 16 3HZ LYS 16 -1.136 4.655 4.823 138 H GLU 17 H GLU 17 -1.415 8.677 4.027 139 HA GLU 17 HA GLU 17 -0.026 10.954 5.206 140 1HB GLU 17 1HB GLU 17 1.018 9.424 3.549 141 2HB GLU 17 2HB GLU 17 -0.065 10.079 2.294 142 1HG GLU 17 1HG GLU 17 0.907 12.316 2.605 143 2HG GLU 17 2HG GLU 17 1.874 11.741 3.974 144 H GLY 18 H GLY 18 -2.725 10.426 2.952 145 1HA GLY 18 1HA GLY 18 -4.274 12.422 3.874 146 2HA GLY 18 2HA GLY 18 -3.262 13.341 2.750 147 H ASP 19 H ASP 19 -3.175 12.531 0.460 148 HA ASP 19 HA ASP 19 -5.815 12.690 -0.463 149 1HB ASP 19 1HB ASP 19 -3.996 13.572 -1.768 150 2HB ASP 19 2HB ASP 19 -3.284 11.961 -1.956 151 HA PRO 20 HA PRO 20 -6.617 8.235 0.103 152 1HB PRO 20 1HB PRO 20 -9.148 8.185 -1.074 153 2HB PRO 20 2HB PRO 20 -8.809 8.578 0.646 154 1HG PRO 20 1HG PRO 20 -9.256 10.427 -1.701 155 2HG PRO 20 2HG PRO 20 -9.908 10.581 -0.043 156 1HD PRO 20 1HD PRO 20 -7.792 12.008 -0.863 157 2HD PRO 20 2HD PRO 20 -7.822 11.332 0.791 158 H ASN 21 H ASN 21 -6.724 10.069 -2.897 159 HA ASN 21 HA ASN 21 -7.058 7.774 -4.651 160 1HB ASN 21 1HB ASN 21 -6.387 10.672 -5.289 161 2HB ASN 21 2HB ASN 21 -6.969 9.435 -6.397 162 1HD2 ASN 21 1HD2 ASN 21 -9.593 11.519 -4.097 163 2HD2 ASN 21 2HD2 ASN 21 -7.853 11.751 -3.935 164 H GLN 22 H GLN 22 -4.300 9.029 -2.994 165 HA GLN 22 HA GLN 22 -2.505 7.903 -5.066 166 1HB GLN 22 1HB GLN 22 -2.839 10.202 -5.665 167 2HB GLN 22 2HB GLN 22 -2.384 10.740 -4.040 168 1HG GLN 22 1HG GLN 22 -0.141 10.266 -4.377 169 2HG GLN 22 2HG GLN 22 -0.457 8.956 -5.522 170 1HE2 GLN 22 1HE2 GLN 22 0.408 12.534 -7.061 171 2HE2 GLN 22 2HE2 GLN 22 0.429 12.294 -5.312 172 H LEU 23 H LEU 23 -0.932 6.638 -4.235 173 HA LEU 23 HA LEU 23 -0.450 6.647 -1.322 174 1HB LEU 23 1HB LEU 23 0.319 4.757 -3.564 175 2HB LEU 23 2HB LEU 23 0.827 4.597 -1.903 176 HG LEU 23 HG LEU 23 -2.118 4.681 -2.570 177 1HD1 LEU 23 3HD1 LEU 23 -0.982 2.859 -3.894 178 2HD1 LEU 23 1HD1 LEU 23 -0.347 2.216 -2.369 179 3HD1 LEU 23 2HD1 LEU 23 -2.096 2.239 -2.652 180 1HD2 LEU 23 1HD2 LEU 23 -1.328 4.905 -0.174 181 2HD2 LEU 23 2HD2 LEU 23 -2.345 3.482 -0.473 182 3HD2 LEU 23 3HD2 LEU 23 -0.586 3.303 -0.317 183 H SER 24 H SER 24 1.573 7.130 -0.465 184 HA SER 24 HA SER 24 3.807 7.903 -2.258 185 1HB SER 24 1HB SER 24 4.836 8.721 -0.216 186 2HB SER 24 2HB SER 24 3.169 9.306 -0.300 187 HG SER 24 HG SER 24 3.491 8.497 1.735 188 H LYS 25 H LYS 25 6.024 6.982 -1.362 189 HA LYS 25 HA LYS 25 6.104 4.235 -1.877 190 1HB LYS 25 1HB LYS 25 8.055 6.024 -0.328 191 2HB LYS 25 2HB LYS 25 8.401 4.344 -0.756 192 1HG LYS 25 1HG LYS 25 8.161 4.862 -3.146 193 2HG LYS 25 2HG LYS 25 7.858 6.565 -2.750 194 1HD LYS 25 1HD LYS 25 10.096 6.701 -1.671 195 2HD LYS 25 2HD LYS 25 10.394 4.998 -2.081 196 1HE LYS 25 1HE LYS 25 10.168 5.534 -4.497 197 2HE LYS 25 2HE LYS 25 9.861 7.235 -4.093 198 1HZ LYS 25 3HZ LYS 25 12.042 7.320 -3.110 199 2HZ LYS 25 1HZ LYS 25 12.331 5.747 -3.522 200 3HZ LYS 25 2HZ LYS 25 12.120 6.882 -4.697 201 H GLU 26 H GLU 26 6.136 5.864 1.323 202 HA GLU 26 HA GLU 26 6.512 3.427 2.765 203 1HB GLU 26 1HB GLU 26 5.152 5.988 3.784 204 2HB GLU 26 2HB GLU 26 5.939 4.723 4.742 205 1HG GLU 26 1HG GLU 26 8.069 5.263 3.422 206 2HG GLU 26 2HG GLU 26 7.257 6.728 2.856 207 H GLU 27 H GLU 27 3.630 5.221 1.848 208 HA GLU 27 HA GLU 27 1.741 3.524 3.179 209 1HB GLU 27 1HB GLU 27 1.399 5.149 0.634 210 2HB GLU 27 2HB GLU 27 0.099 4.435 1.616 211 1HG GLU 27 1HG GLU 27 0.722 5.763 3.558 212 2HG GLU 27 2HG GLU 27 2.084 6.488 2.699 213 H LEU 28 H LEU 28 3.080 3.393 -0.218 214 HA LEU 28 HA LEU 28 1.892 0.879 -0.820 215 1HB LEU 28 1HB LEU 28 4.405 2.280 -1.775 216 2HB LEU 28 2HB LEU 28 4.031 0.642 -2.336 217 HG LEU 28 HG LEU 28 1.914 2.740 -2.344 218 1HD1 LEU 28 3HD1 LEU 28 3.761 3.810 -3.470 219 2HD1 LEU 28 1HD1 LEU 28 3.990 2.377 -4.520 220 3HD1 LEU 28 2HD1 LEU 28 2.507 3.361 -4.637 221 1HD2 LEU 28 1HD2 LEU 28 1.286 0.356 -2.910 222 2HD2 LEU 28 2HD2 LEU 28 1.080 1.411 -4.317 223 3HD2 LEU 28 3HD2 LEU 28 2.501 0.362 -4.199 224 H LYS 29 H LYS 29 4.893 1.547 0.960 225 HA LYS 29 HA LYS 29 5.718 -1.188 0.933 226 1HB LYS 29 1HB LYS 29 7.044 0.891 1.636 227 2HB LYS 29 2HB LYS 29 6.143 0.907 3.125 228 1HG LYS 29 1HG LYS 29 7.009 -1.410 3.654 229 2HG LYS 29 2HG LYS 29 7.964 -1.351 2.159 230 1HD LYS 29 1HD LYS 29 9.166 0.659 3.025 231 2HD LYS 29 2HD LYS 29 8.195 0.592 4.510 232 1HE LYS 29 1HE LYS 29 9.104 -1.673 5.007 233 2HE LYS 29 2HE LYS 29 10.079 -1.606 3.526 234 1HZ LYS 29 1HZ LYS 29 10.303 0.229 5.808 235 2HZ LYS 29 2HZ LYS 29 11.337 -1.002 5.448 236 3HZ LYS 29 3HZ LYS 29 11.211 0.291 4.434 237 H LEU 30 H LEU 30 3.882 0.668 3.327 238 HA LEU 30 HA LEU 30 3.313 -1.565 5.024 239 1HB LEU 30 1HB LEU 30 2.063 1.167 4.657 240 2HB LEU 30 2HB LEU 30 1.209 -0.061 5.593 241 HG LEU 30 HG LEU 30 3.111 -0.370 7.093 242 1HD1 LEU 30 3HD1 LEU 30 4.995 0.348 5.636 243 2HD1 LEU 30 1HD1 LEU 30 4.369 2.015 5.669 244 3HD1 LEU 30 2HD1 LEU 30 4.957 1.251 7.153 245 1HD2 LEU 30 1HD2 LEU 30 1.297 1.189 7.656 246 2HD2 LEU 30 2HD2 LEU 30 2.845 1.775 8.289 247 3HD2 LEU 30 3HD2 LEU 30 2.153 2.510 6.828 248 H LEU 31 H LEU 31 1.429 -0.241 2.333 249 HA LEU 31 HA LEU 31 -0.735 -2.040 2.374 250 1HB LEU 31 1HB LEU 31 -0.494 -0.028 0.957 251 2HB LEU 31 2HB LEU 31 0.665 -0.865 -0.066 252 HG LEU 31 HG LEU 31 -2.163 -1.867 0.367 253 1HD1 LEU 31 3HD1 LEU 31 -2.244 0.446 -0.519 254 2HD1 LEU 31 1HD1 LEU 31 -1.093 -0.004 -1.796 255 3HD1 LEU 31 2HD1 LEU 31 -2.721 -0.702 -1.779 256 1HD2 LEU 31 3HD2 LEU 31 -0.086 -2.397 -1.809 257 2HD2 LEU 31 1HD2 LEU 31 -0.801 -3.587 -0.696 258 3HD2 LEU 31 2HD2 LEU 31 -1.796 -2.847 -1.942 259 H LEU 32 H LEU 32 2.336 -2.322 0.638 260 HA LEU 32 HA LEU 32 1.910 -4.900 -0.489 261 1HB LEU 32 1HB LEU 32 4.436 -3.390 0.280 262 2HB LEU 32 2HB LEU 32 4.488 -4.954 -0.529 263 HG LEU 32 HG LEU 32 2.954 -2.633 -1.754 264 1HD1 LEU 32 1HD1 LEU 32 5.894 -3.362 -2.154 265 2HD1 LEU 32 2HD1 LEU 32 4.980 -2.165 -3.097 266 3HD1 LEU 32 3HD1 LEU 32 5.291 -1.883 -1.379 267 1HD2 LEU 32 3HD2 LEU 32 4.268 -5.130 -2.886 268 2HD2 LEU 32 1HD2 LEU 32 2.516 -4.883 -2.683 269 3HD2 LEU 32 2HD2 LEU 32 3.425 -3.888 -3.832 270 H GLN 33 H GLN 33 3.659 -3.953 2.494 271 HA GLN 33 HA GLN 33 4.351 -6.520 3.325 272 1HB GLN 33 1HB GLN 33 5.237 -4.374 4.232 273 2HB GLN 33 2HB GLN 33 3.689 -4.091 5.046 274 1HG GLN 33 1HG GLN 33 4.060 -6.157 6.410 275 2HG GLN 33 2HG GLN 33 5.581 -6.434 5.545 276 1HE2 GLN 33 1HE2 GLN 33 5.339 -3.302 8.245 277 2HE2 GLN 33 2HE2 GLN 33 3.877 -3.871 7.457 278 H THR 34 H THR 34 1.384 -4.706 4.052 279 HA THR 34 HA THR 34 0.423 -6.783 5.846 280 HB THR 34 HB THR 34 -1.317 -4.711 4.497 281 HG1 THR 34 HG1 THR 34 0.494 -3.668 5.441 282 1HG2 THR 34 1HG2 THR 34 -1.405 -6.098 7.223 283 2HG2 THR 34 2HG2 THR 34 -2.574 -4.892 6.667 284 3HG2 THR 34 3HG2 THR 34 -2.469 -6.452 5.845 285 H GLU 35 H GLU 35 -0.471 -5.788 2.485 286 HA GLU 35 HA GLU 35 -2.482 -7.919 2.373 287 1HB GLU 35 1HB GLU 35 -1.765 -5.546 0.600 288 2HB GLU 35 2HB GLU 35 -3.047 -6.693 0.234 289 1HG GLU 35 1HG GLU 35 -2.823 -4.974 2.779 290 2HG GLU 35 2HG GLU 35 -3.735 -4.526 1.357 291 H PHE 36 H PHE 36 0.614 -7.097 0.859 292 HA PHE 36 HA PHE 36 0.440 -9.572 -0.815 293 1HB PHE 36 1HB PHE 36 1.323 -6.873 -1.836 294 2HB PHE 36 2HB PHE 36 1.093 -8.361 -2.746 295 HD1 PHE 36 HD1 PHE 36 -1.593 -9.295 -2.049 296 HD2 PHE 36 HD2 PHE 36 -0.169 -5.260 -2.635 297 HE1 PHE 36 HE1 PHE 36 -3.811 -8.630 -2.907 298 HE2 PHE 36 HE2 PHE 36 -2.390 -4.633 -3.567 299 HZ PHE 36 HZ PHE 36 -4.194 -6.311 -3.690 300 HA PRO 37 HA PRO 37 4.656 -9.226 1.338 301 1HB PRO 37 1HB PRO 37 3.777 -12.121 1.531 302 2HB PRO 37 2HB PRO 37 4.857 -11.212 2.629 303 1HG PRO 37 1HG PRO 37 2.257 -11.583 3.302 304 2HG PRO 37 2HG PRO 37 3.006 -9.974 3.516 305 1HD PRO 37 1HD PRO 37 1.169 -10.889 1.297 306 2HD PRO 37 2HD PRO 37 1.227 -9.348 2.203 307 H SER 38 H SER 38 2.956 -11.211 -1.065 308 HA SER 38 HA SER 38 5.047 -12.643 -2.324 309 1HB SER 38 1HB SER 38 3.232 -12.383 -4.223 310 2HB SER 38 2HB SER 38 2.804 -13.272 -2.746 311 HG SER 38 HG SER 38 1.217 -11.678 -3.288 312 H LEU 39 H LEU 39 3.433 -9.555 -3.001 313 HA LEU 39 HA LEU 39 5.245 -8.788 -5.137 314 1HB LEU 39 1HB LEU 39 3.149 -7.329 -3.520 315 2HB LEU 39 2HB LEU 39 4.065 -6.554 -4.834 316 HG LEU 39 HG LEU 39 2.231 -8.972 -5.152 317 1HD1 LEU 39 1HD1 LEU 39 1.951 -6.027 -5.885 318 2HD1 LEU 39 2HD1 LEU 39 0.808 -7.294 -6.368 319 3HD1 LEU 39 3HD1 LEU 39 1.009 -6.888 -4.656 320 1HD2 LEU 39 3HD2 LEU 39 3.783 -7.324 -7.206 321 2HD2 LEU 39 1HD2 LEU 39 3.958 -9.065 -6.887 322 3HD2 LEU 39 2HD2 LEU 39 2.473 -8.451 -7.609 323 H LEU 40 H LEU 40 4.989 -8.041 -1.679 324 HA LEU 40 HA LEU 40 6.940 -6.016 -1.549 325 1HB LEU 40 1HB LEU 40 5.516 -6.892 0.402 326 2HB LEU 40 2HB LEU 40 6.648 -8.242 0.494 327 HG LEU 40 HG LEU 40 8.513 -6.418 0.708 328 1HD1 LEU 40 3HD1 LEU 40 7.064 -4.460 0.148 329 2HD1 LEU 40 1HD1 LEU 40 6.078 -4.803 1.587 330 3HD1 LEU 40 2HD1 LEU 40 7.777 -4.329 1.762 331 1HD2 LEU 40 3HD2 LEU 40 6.530 -6.936 2.948 332 2HD2 LEU 40 1HD2 LEU 40 7.906 -7.958 2.498 333 3HD2 LEU 40 2HD2 LEU 40 8.188 -6.333 3.144 334 H LYS 41 H LYS 41 7.377 -9.541 -1.387 335 HA LYS 41 HA LYS 41 10.266 -9.479 -1.434 336 1HB LYS 41 1HB LYS 41 8.203 -11.631 -2.054 337 2HB LYS 41 2HB LYS 41 9.956 -11.895 -1.996 338 1HG LYS 41 1HG LYS 41 10.076 -11.374 0.338 339 2HG LYS 41 2HG LYS 41 8.444 -10.706 0.356 340 1HD LYS 41 1HD LYS 41 8.463 -12.850 1.439 341 2HD LYS 41 2HD LYS 41 7.441 -12.901 0.003 342 1HE LYS 41 1HE LYS 41 10.344 -13.856 -0.057 343 2HE LYS 41 2HE LYS 41 9.035 -14.901 0.512 344 1HZ LYS 41 3HZ LYS 41 7.946 -14.652 -1.573 345 2HZ LYS 41 1HZ LYS 41 9.148 -13.691 -2.151 346 3HZ LYS 41 2HZ LYS 41 9.464 -15.260 -1.776 347 H GLY 42 H GLY 42 7.766 -10.063 -3.880 348 1HA GLY 42 1HA GLY 42 9.592 -10.546 -6.052 349 2HA GLY 42 2HA GLY 42 7.837 -10.349 -6.139 350 H GLY 43 H GLY 43 10.670 -8.251 -5.331 351 1HA GLY 43 1HA GLY 43 10.288 -6.641 -7.720 352 2HA GLY 43 2HA GLY 43 9.881 -5.783 -6.212 353 H SER 44 H SER 44 12.219 -5.369 -8.103 354 HA SER 44 HA SER 44 14.573 -6.427 -6.918 355 1HB SER 44 1HB SER 44 14.376 -3.775 -8.385 356 2HB SER 44 2HB SER 44 15.727 -4.924 -8.339 357 HG SER 44 HG SER 44 14.527 -5.147 -10.280 358 H THR 45 H THR 45 12.732 -3.420 -6.419 359 HA THR 45 HA THR 45 13.539 -3.236 -3.678 360 HB THR 45 HB THR 45 14.211 -0.816 -3.836 361 HG1 THR 45 HG1 THR 45 14.625 -1.362 -6.574 362 1HG2 THR 45 3HG2 THR 45 15.979 -2.579 -3.620 363 2HG2 THR 45 1HG2 THR 45 16.193 -2.525 -5.385 364 3HG2 THR 45 2HG2 THR 45 16.511 -1.083 -4.412 365 H LEU 46 H LEU 46 12.120 -1.673 -2.596 366 HA LEU 46 HA LEU 46 9.480 -1.397 -3.552 367 1HB LEU 46 1HB LEU 46 10.092 -1.098 -1.190 368 2HB LEU 46 2HB LEU 46 11.161 0.246 -1.606 369 HG LEU 46 HG LEU 46 9.190 1.603 -2.312 370 1HD1 LEU 46 1HD1 LEU 46 7.596 -0.750 -1.184 371 2HD1 LEU 46 2HD1 LEU 46 6.925 0.839 -1.600 372 3HD1 LEU 46 3HD1 LEU 46 7.582 -0.196 -2.874 373 1HD2 LEU 46 3HD2 LEU 46 9.129 0.476 0.508 374 2HD2 LEU 46 1HD2 LEU 46 10.144 1.812 -0.072 375 3HD2 LEU 46 2HD2 LEU 46 8.385 2.004 -0.014 376 H ASP 47 H ASP 47 12.284 0.764 -3.758 377 HA ASP 47 HA ASP 47 11.130 2.931 -5.078 378 1HB ASP 47 1HB ASP 47 13.947 1.789 -5.352 379 2HB ASP 47 2HB ASP 47 13.447 3.433 -5.771 380 H GLU 48 H GLU 48 12.763 0.101 -6.507 381 HA GLU 48 HA GLU 48 12.241 0.740 -9.208 382 1HB GLU 48 1HB GLU 48 13.791 -0.972 -8.718 383 2HB GLU 48 2HB GLU 48 12.607 -1.923 -7.813 384 1HG GLU 48 1HG GLU 48 12.206 -1.361 -10.769 385 2HG GLU 48 2HG GLU 48 13.272 -2.659 -10.233 386 H LEU 49 H LEU 49 10.226 -1.207 -6.991 387 HA LEU 49 HA LEU 49 8.115 -1.638 -8.870 388 1HB LEU 49 1HB LEU 49 7.976 -1.317 -5.840 389 2HB LEU 49 2HB LEU 49 6.624 -1.844 -6.840 390 HG LEU 49 HG LEU 49 9.268 -3.345 -6.603 391 1HD1 LEU 49 1HD1 LEU 49 6.538 -3.844 -5.327 392 2HD1 LEU 49 2HD1 LEU 49 7.937 -4.928 -5.216 393 3HD1 LEU 49 3HD1 LEU 49 8.009 -3.321 -4.479 394 1HD2 LEU 49 3HD2 LEU 49 6.610 -4.055 -7.930 395 2HD2 LEU 49 1HD2 LEU 49 8.184 -3.864 -8.735 396 3HD2 LEU 49 2HD2 LEU 49 7.919 -5.211 -7.628 397 H PHE 50 H PHE 50 8.576 0.998 -6.556 398 HA PHE 50 HA PHE 50 6.199 2.419 -7.092 399 1HB PHE 50 1HB PHE 50 7.796 2.770 -5.196 400 2HB PHE 50 2HB PHE 50 8.963 3.463 -6.305 401 HD1 PHE 50 HD1 PHE 50 5.709 3.943 -4.655 402 HD2 PHE 50 HD2 PHE 50 8.779 5.784 -7.044 403 HE1 PHE 50 HE1 PHE 50 4.957 6.166 -3.889 404 HE2 PHE 50 HE2 PHE 50 8.106 8.007 -6.179 405 HZ PHE 50 HZ PHE 50 6.311 8.167 -4.460 406 H GLU 51 H GLU 51 9.442 2.780 -8.582 407 HA GLU 51 HA GLU 51 8.725 4.839 -10.420 408 1HB GLU 51 1HB GLU 51 10.861 2.664 -10.484 409 2HB GLU 51 2HB GLU 51 10.783 3.988 -11.654 410 1HG GLU 51 1HG GLU 51 11.231 5.648 -10.007 411 2HG GLU 51 2HG GLU 51 10.906 4.554 -8.662 412 H GLU 52 H GLU 52 8.722 1.301 -10.704 413 HA GLU 52 HA GLU 52 7.948 1.138 -13.414 414 1HB GLU 52 1HB GLU 52 8.807 -0.713 -11.958 415 2HB GLU 52 2HB GLU 52 7.227 -0.819 -11.184 416 1HG GLU 52 1HG GLU 52 7.727 -1.184 -14.178 417 2HG GLU 52 2HG GLU 52 7.709 -2.505 -13.004 418 H LEU 53 H LEU 53 5.971 1.339 -10.459 419 HA LEU 53 HA LEU 53 3.462 1.165 -11.865 420 1HB LEU 53 1HB LEU 53 4.226 2.086 -9.076 421 2HB LEU 53 2HB LEU 53 2.569 1.909 -9.645 422 HG LEU 53 HG LEU 53 4.569 -0.397 -9.629 423 1HD1 LEU 53 3HD1 LEU 53 4.157 0.461 -7.340 424 2HD1 LEU 53 1HD1 LEU 53 2.406 0.284 -7.600 425 3HD1 LEU 53 2HD1 LEU 53 3.463 -1.149 -7.590 426 1HD2 LEU 53 3HD2 LEU 53 1.546 -0.358 -9.945 427 2HD2 LEU 53 1HD2 LEU 53 2.743 -0.771 -11.193 428 3HD2 LEU 53 2HD2 LEU 53 2.572 -1.808 -9.788 429 H ASP 54 H ASP 54 5.340 3.884 -10.606 430 HA ASP 54 HA ASP 54 3.279 5.819 -11.057 431 1HB ASP 54 1HB ASP 54 4.947 6.093 -9.307 432 2HB ASP 54 2HB ASP 54 6.230 6.177 -10.510 433 H LYS 55 H LYS 55 3.007 4.947 -13.389 434 HA LYS 55 HA LYS 55 4.601 5.734 -15.551 435 1HB LYS 55 1HB LYS 55 1.661 5.254 -15.125 436 2HB LYS 55 2HB LYS 55 2.109 6.187 -16.552 437 1HG LYS 55 1HG LYS 55 1.958 3.890 -17.177 438 2HG LYS 55 2HG LYS 55 3.631 4.446 -17.320 439 1HD LYS 55 1HD LYS 55 4.158 3.327 -15.125 440 2HD LYS 55 2HD LYS 55 2.481 2.762 -15.042 441 1HE LYS 55 1HE LYS 55 2.837 1.584 -17.260 442 2HE LYS 55 2HE LYS 55 4.531 2.117 -17.221 443 1HZ LYS 55 3HZ LYS 55 4.747 0.921 -15.133 444 2HZ LYS 55 1HZ LYS 55 3.208 0.368 -15.287 445 3HZ LYS 55 2HZ LYS 55 4.351 -0.078 -16.388 446 H ASN 56 H ASN 56 2.326 7.740 -13.709 447 HA ASN 56 HA ASN 56 2.646 9.970 -15.535 448 1HB ASN 56 1HB ASN 56 1.216 11.227 -14.237 449 2HB ASN 56 2HB ASN 56 0.596 9.576 -14.184 450 1HD2 ASN 56 1HD2 ASN 56 0.200 10.260 -10.710 451 2HD2 ASN 56 2HD2 ASN 56 -0.632 10.044 -12.243 452 H GLY 57 H GLY 57 4.705 8.771 -13.076 453 1HA GLY 57 1HA GLY 57 6.750 9.450 -12.435 454 2HA GLY 57 2HA GLY 57 6.701 10.640 -13.739 455 H ASP 58 H ASP 58 4.159 10.983 -11.286 456 HA ASP 58 HA ASP 58 5.300 13.531 -10.564 457 1HB ASP 58 1HB ASP 58 3.298 14.009 -9.591 458 2HB ASP 58 2HB ASP 58 2.843 13.016 -10.965 459 H GLY 59 H GLY 59 5.999 10.461 -9.374 460 1HA GLY 59 1HA GLY 59 7.438 9.953 -7.657 461 2HA GLY 59 2HA GLY 59 7.349 11.607 -7.036 462 H GLU 60 H GLU 60 4.484 9.656 -7.760 463 HA GLU 60 HA GLU 60 4.120 8.375 -5.197 464 1HB GLU 60 1HB GLU 60 2.258 10.606 -6.094 465 2HB GLU 60 2HB GLU 60 1.890 9.376 -4.865 466 1HG GLU 60 1HG GLU 60 3.951 10.237 -3.594 467 2HG GLU 60 2HG GLU 60 3.869 11.653 -4.662 468 H VAL 61 H VAL 61 1.884 7.193 -5.445 469 HA VAL 61 HA VAL 61 1.535 6.468 -8.349 470 HB VAL 61 HB VAL 61 1.199 4.532 -6.062 471 1HG1 VAL 61 3HG1 VAL 61 0.189 4.072 -8.359 472 2HG1 VAL 61 1HG1 VAL 61 1.853 4.133 -9.006 473 3HG1 VAL 61 2HG1 VAL 61 1.391 2.882 -7.829 474 1HG2 VAL 61 3HG2 VAL 61 3.707 5.118 -7.709 475 2HG2 VAL 61 1HG2 VAL 61 3.547 5.188 -5.944 476 3HG2 VAL 61 2HG2 VAL 61 3.472 3.631 -6.782 477 H SER 62 H SER 62 -0.395 7.153 -9.034 478 HA SER 62 HA SER 62 -2.607 7.683 -7.224 479 1HB SER 62 1HB SER 62 -3.810 8.293 -9.297 480 2HB SER 62 2HB SER 62 -2.278 9.147 -9.109 481 HG SER 62 HG SER 62 -1.351 7.851 -10.632 482 H PHE 63 H PHE 63 -4.698 6.621 -7.300 483 HA PHE 63 HA PHE 63 -4.655 3.843 -7.383 484 1HB PHE 63 1HB PHE 63 -6.450 5.100 -6.302 485 2HB PHE 63 2HB PHE 63 -7.058 5.637 -7.872 486 HD1 PHE 63 HD1 PHE 63 -6.230 2.485 -5.992 487 HD2 PHE 63 HD2 PHE 63 -8.728 4.293 -8.994 488 HE1 PHE 63 HE1 PHE 63 -7.569 0.419 -6.102 489 HE2 PHE 63 HE2 PHE 63 -10.039 2.195 -9.145 490 HZ PHE 63 HZ PHE 63 -9.494 0.266 -7.640 491 H GLU 64 H GLU 64 -5.237 6.013 -10.104 492 HA GLU 64 HA GLU 64 -6.199 4.074 -11.953 493 1HB GLU 64 1HB GLU 64 -4.535 6.606 -12.403 494 2HB GLU 64 2HB GLU 64 -5.338 5.670 -13.676 495 1HG GLU 64 1HG GLU 64 -7.537 6.095 -12.640 496 2HG GLU 64 2HG GLU 64 -6.773 7.004 -11.326 497 H GLU 65 H GLU 65 -2.821 5.382 -11.732 498 HA GLU 65 HA GLU 65 -1.860 3.313 -13.455 499 1HB GLU 65 1HB GLU 65 0.324 4.218 -13.107 500 2HB GLU 65 2HB GLU 65 -0.856 5.521 -13.297 501 1HG GLU 65 1HG GLU 65 -0.910 5.467 -10.649 502 2HG GLU 65 2HG GLU 65 0.623 4.615 -10.824 503 H PHE 66 H PHE 66 -2.187 3.466 -9.920 504 HA PHE 66 HA PHE 66 -0.714 1.222 -9.111 505 1HB PHE 66 1HB PHE 66 -1.785 2.465 -7.482 506 2HB PHE 66 2HB PHE 66 -3.309 2.454 -8.350 507 HD1 PHE 66 HD1 PHE 66 -1.147 0.283 -6.229 508 HD2 PHE 66 HD2 PHE 66 -4.979 0.826 -8.106 509 HE1 PHE 66 HE1 PHE 66 -2.100 -1.537 -4.824 510 HE2 PHE 66 HE2 PHE 66 -5.894 -1.106 -6.845 511 HZ PHE 66 HZ PHE 66 -4.464 -2.225 -5.107 512 H GLN 67 H GLN 67 -3.694 1.265 -11.138 513 HA GLN 67 HA GLN 67 -4.300 -1.487 -10.771 514 1HB GLN 67 1HB GLN 67 -4.790 0.301 -13.163 515 2HB GLN 67 2HB GLN 67 -5.425 -1.335 -12.996 516 1HG GLN 67 1HG GLN 67 -5.977 0.916 -11.008 517 2HG GLN 67 2HG GLN 67 -7.063 0.407 -12.298 518 1HE2 GLN 67 1HE2 GLN 67 -7.420 -1.527 -8.856 519 2HE2 GLN 67 2HE2 GLN 67 -6.689 0.059 -8.986 520 H VAL 68 H VAL 68 -1.522 -0.120 -12.408 521 HA VAL 68 HA VAL 68 -0.841 -2.366 -14.035 522 HB VAL 68 HB VAL 68 0.863 -0.343 -12.547 523 1HG1 VAL 68 1HG1 VAL 68 1.714 -2.380 -14.653 524 2HG1 VAL 68 2HG1 VAL 68 2.709 -1.046 -14.030 525 3HG1 VAL 68 3HG1 VAL 68 2.242 -2.350 -12.957 526 1HG2 VAL 68 1HG2 VAL 68 -0.613 0.547 -14.387 527 2HG2 VAL 68 2HG2 VAL 68 1.108 0.679 -14.762 528 3HG2 VAL 68 3HG2 VAL 68 0.136 -0.608 -15.503 529 H LEU 69 H LEU 69 -0.665 -1.832 -10.511 530 HA LEU 69 HA LEU 69 1.038 -4.107 -9.951 531 1HB LEU 69 1HB LEU 69 0.763 -2.179 -8.435 532 2HB LEU 69 2HB LEU 69 -0.940 -2.546 -8.203 533 HG LEU 69 HG LEU 69 1.057 -4.685 -7.534 534 1HD1 LEU 69 1HD1 LEU 69 0.463 -2.230 -5.821 535 2HD1 LEU 69 2HD1 LEU 69 1.285 -3.694 -5.245 536 3HD1 LEU 69 3HD1 LEU 69 2.038 -2.699 -6.498 537 1HD2 LEU 69 3HD2 LEU 69 -1.573 -3.732 -6.277 538 2HD2 LEU 69 1HD2 LEU 69 -1.374 -5.189 -7.264 539 3HD2 LEU 69 2HD2 LEU 69 -0.594 -5.082 -5.686 540 H VAL 70 H VAL 70 -2.465 -3.426 -10.002 541 HA VAL 70 HA VAL 70 -3.338 -6.013 -9.190 542 HB VAL 70 HB VAL 70 -4.794 -4.017 -11.002 543 1HG1 VAL 70 1HG1 VAL 70 -5.803 -6.218 -9.151 544 2HG1 VAL 70 2HG1 VAL 70 -6.819 -5.037 -10.009 545 3HG1 VAL 70 3HG1 VAL 70 -5.877 -6.220 -10.924 546 1HG2 VAL 70 3HG2 VAL 70 -4.447 -4.176 -7.993 547 2HG2 VAL 70 1HG2 VAL 70 -4.107 -2.794 -9.017 548 3HG2 VAL 70 2HG2 VAL 70 -5.783 -3.274 -8.756 549 H LYS 71 H LYS 71 -2.681 -4.624 -12.433 550 HA LYS 71 HA LYS 71 -3.199 -6.931 -13.968 551 1HB LYS 71 1HB LYS 71 -2.838 -4.898 -15.097 552 2HB LYS 71 2HB LYS 71 -1.274 -4.627 -14.330 553 1HG LYS 71 1HG LYS 71 -0.250 -6.450 -15.522 554 2HG LYS 71 2HG LYS 71 -1.814 -6.923 -16.238 555 1HD LYS 71 1HD LYS 71 -1.941 -4.712 -17.380 556 2HD LYS 71 2HD LYS 71 -0.386 -4.249 -16.658 557 1HE LYS 71 1HE LYS 71 0.724 -6.142 -17.836 558 2HE LYS 71 2HE LYS 71 -0.831 -6.610 -18.550 559 1HZ LYS 71 3HZ LYS 71 -0.899 -4.489 -19.642 560 2HZ LYS 71 1HZ LYS 71 0.546 -4.053 -18.980 561 3HZ LYS 71 2HZ LYS 71 0.473 -5.307 -20.047 562 H LYS 72 H LYS 72 -0.096 -5.959 -12.486 563 HA LYS 72 HA LYS 72 1.299 -8.343 -13.031 564 1HB LYS 72 1HB LYS 72 1.598 -6.300 -10.836 565 2HB LYS 72 2HB LYS 72 2.388 -7.860 -10.650 566 1HG LYS 72 1HG LYS 72 4.004 -6.484 -11.604 567 2HG LYS 72 2HG LYS 72 3.470 -7.572 -12.890 568 1HD LYS 72 1HD LYS 72 2.002 -5.699 -13.770 569 2HD LYS 72 2HD LYS 72 2.589 -4.685 -12.439 570 1HE LYS 72 1HE LYS 72 3.787 -4.121 -14.476 571 2HE LYS 72 2HE LYS 72 4.898 -4.825 -13.293 572 1HZ LYS 72 1HZ LYS 72 3.674 -6.253 -15.555 573 2HZ LYS 72 2HZ LYS 72 5.223 -5.693 -15.495 574 3HZ LYS 72 3HZ LYS 72 4.745 -6.895 -14.477 575 H ILE 73 H ILE 73 -0.889 -7.784 -10.274 576 HA ILE 73 HA ILE 73 -0.540 -10.402 -9.155 577 HB ILE 73 HB ILE 73 -3.003 -8.616 -9.004 578 1HG1 ILE 73 1HG1 ILE 73 -0.639 -9.060 -7.125 579 2HG1 ILE 73 2HG1 ILE 73 -1.016 -7.585 -8.029 580 1HG2 ILE 73 3HG2 ILE 73 -3.570 -11.004 -8.526 581 2HG2 ILE 73 1HG2 ILE 73 -2.273 -11.047 -7.314 582 3HG2 ILE 73 2HG2 ILE 73 -3.696 -10.006 -7.102 583 1HD1 ILE 73 3HD1 ILE 73 -3.156 -7.376 -6.735 584 2HD1 ILE 73 1HD1 ILE 73 -2.599 -8.721 -5.703 585 3HD1 ILE 73 2HD1 ILE 73 -1.674 -7.227 -5.768 586 H SER 74 H SER 74 -2.882 -9.224 -11.533 587 HA SER 74 HA SER 74 -4.350 -10.128 -12.909 588 1HB SER 74 1HB SER 74 -2.033 -11.965 -12.987 589 2HB SER 74 2HB SER 74 -3.519 -12.524 -13.803 590 HG SER 74 HG SER 74 -2.172 -10.054 -14.208 591 H GLN 75 H GLN 75 -3.617 -12.460 -10.344 592 HA GLN 75 HA GLN 75 -5.722 -14.235 -10.799 593 1HB GLN 75 1HB GLN 75 -4.830 -13.476 -7.993 594 2HB GLN 75 2HB GLN 75 -5.429 -15.025 -8.592 595 1HG GLN 75 1HG GLN 75 -2.701 -13.771 -8.927 596 2HG GLN 75 2HG GLN 75 -3.128 -15.343 -8.276 597 1HE2 GLN 75 1HE2 GLN 75 -2.147 -15.076 -12.160 598 2HE2 GLN 75 2HE2 GLN 75 -1.922 -13.750 -11.018 No H/Q in entry = 598 Start of MODEL 4 Raw file had 599 H/Q atoms Start of MODEL 4 1 1H LYS 1 1H LYS 1 -9.328 -11.037 -4.908 2 2H LYS 1 2H LYS 1 -7.954 -10.100 -5.162 3 3H LYS 1 3H LYS 1 -8.178 -10.883 -3.690 4 HA LYS 1 HA LYS 1 -10.051 -9.535 -3.171 5 1HB LYS 1 1HB LYS 1 -7.721 -7.852 -4.065 6 2HB LYS 1 2HB LYS 1 -8.930 -7.487 -2.820 7 1HG LYS 1 1HG LYS 1 -8.039 -9.826 -1.804 8 2HG LYS 1 2HG LYS 1 -6.611 -9.428 -2.776 9 1HD LYS 1 1HD LYS 1 -6.683 -7.112 -1.645 10 2HD LYS 1 2HD LYS 1 -7.983 -7.770 -0.633 11 1HE LYS 1 1HE LYS 1 -5.884 -7.865 0.609 12 2HE LYS 1 2HE LYS 1 -6.357 -9.523 0.206 13 1HZ LYS 1 1HZ LYS 1 -4.410 -7.902 -1.296 14 2HZ LYS 1 2HZ LYS 1 -4.011 -9.046 -0.189 15 3HZ LYS 1 3HZ LYS 1 -4.783 -9.477 -1.579 16 H SER 2 H SER 2 -11.701 -8.136 -3.985 17 HA SER 2 HA SER 2 -11.968 -7.943 -6.862 18 1HB SER 2 1HB SER 2 -14.051 -6.731 -6.352 19 2HB SER 2 2HB SER 2 -13.927 -8.213 -5.396 20 HG SER 2 HG SER 2 -13.393 -7.025 -3.622 21 HA PRO 3 HA PRO 3 -10.086 -3.903 -7.677 22 1HB PRO 3 1HB PRO 3 -12.820 -3.322 -8.857 23 2HB PRO 3 2HB PRO 3 -11.213 -2.856 -9.491 24 1HG PRO 3 1HG PRO 3 -12.460 -5.028 -10.513 25 2HG PRO 3 2HG PRO 3 -10.727 -5.140 -10.083 26 1HD PRO 3 1HD PRO 3 -13.109 -6.129 -8.508 27 2HD PRO 3 2HD PRO 3 -11.533 -6.921 -8.810 28 H GLU 4 H GLU 4 -13.482 -3.971 -6.496 29 HA GLU 4 HA GLU 4 -13.584 -1.464 -5.240 30 1HB GLU 4 1HB GLU 4 -14.999 -4.023 -4.460 31 2HB GLU 4 2HB GLU 4 -15.392 -2.375 -3.945 32 1HG GLU 4 1HG GLU 4 -16.702 -2.269 -5.744 33 2HG GLU 4 2HG GLU 4 -15.259 -2.013 -6.691 34 H GLU 5 H GLU 5 -12.545 -4.609 -3.935 35 HA GLU 5 HA GLU 5 -12.052 -3.639 -1.235 36 1HB GLU 5 1HB GLU 5 -11.098 -6.080 -2.771 37 2HB GLU 5 2HB GLU 5 -10.581 -5.739 -1.117 38 1HG GLU 5 1HG GLU 5 -12.784 -5.891 -0.234 39 2HG GLU 5 2HG GLU 5 -13.533 -5.867 -1.831 40 H LEU 6 H LEU 6 -10.084 -4.110 -4.147 41 HA LEU 6 HA LEU 6 -7.606 -3.236 -3.023 42 1HB LEU 6 1HB LEU 6 -8.676 -3.179 -5.872 43 2HB LEU 6 2HB LEU 6 -7.052 -2.766 -5.402 44 HG LEU 6 HG LEU 6 -8.393 -5.502 -5.165 45 1HD1 LEU 6 3HD1 LEU 6 -7.436 -4.843 -7.366 46 2HD1 LEU 6 1HD1 LEU 6 -5.878 -4.545 -6.543 47 3HD1 LEU 6 2HD1 LEU 6 -6.544 -6.193 -6.628 48 1HD2 LEU 6 3HD2 LEU 6 -5.733 -4.591 -3.987 49 2HD2 LEU 6 1HD2 LEU 6 -7.115 -5.340 -3.139 50 3HD2 LEU 6 2HD2 LEU 6 -6.179 -6.282 -4.281 51 H LYS 7 H LYS 7 -10.240 -1.373 -4.568 52 HA LYS 7 HA LYS 7 -8.888 1.109 -4.339 53 1HB LYS 7 1HB LYS 7 -11.019 0.552 -5.636 54 2HB LYS 7 2HB LYS 7 -11.886 0.726 -4.119 55 1HG LYS 7 1HG LYS 7 -10.954 3.045 -3.870 56 2HG LYS 7 2HG LYS 7 -10.034 2.831 -5.371 57 1HD LYS 7 1HD LYS 7 -12.152 2.599 -6.638 58 2HD LYS 7 2HD LYS 7 -13.071 2.854 -5.134 59 1HE LYS 7 1HE LYS 7 -11.974 5.076 -4.847 60 2HE LYS 7 2HE LYS 7 -11.047 4.818 -6.334 61 1HZ LYS 7 1HZ LYS 7 -13.975 4.985 -6.153 62 2HZ LYS 7 2HZ LYS 7 -12.969 6.164 -6.712 63 3HZ LYS 7 3HZ LYS 7 -13.112 4.744 -7.536 64 H GLY 8 H GLY 8 -11.011 -0.658 -2.125 65 1HA GLY 8 1HA GLY 8 -11.235 1.251 -0.027 66 2HA GLY 8 2HA GLY 8 -11.279 -0.512 0.184 67 H ILE 9 H ILE 9 -8.902 -1.376 -0.493 68 HA ILE 9 HA ILE 9 -7.025 -0.835 1.568 69 HB ILE 9 HB ILE 9 -6.893 -2.157 -1.152 70 1HG1 ILE 9 1HG1 ILE 9 -6.918 -3.199 1.717 71 2HG1 ILE 9 2HG1 ILE 9 -8.303 -3.161 0.615 72 1HG2 ILE 9 3HG2 ILE 9 -4.623 -1.338 -0.669 73 2HG2 ILE 9 1HG2 ILE 9 -4.694 -2.128 0.916 74 3HG2 ILE 9 2HG2 ILE 9 -4.708 -3.085 -0.581 75 1HD1 ILE 9 3HD1 ILE 9 -7.077 -4.677 -0.935 76 2HD1 ILE 9 1HD1 ILE 9 -5.782 -4.830 0.278 77 3HD1 ILE 9 2HD1 ILE 9 -7.416 -5.391 0.654 78 H PHE 10 H PHE 10 -6.926 0.206 -1.872 79 HA PHE 10 HA PHE 10 -4.644 1.764 -1.796 80 1HB PHE 10 1HB PHE 10 -5.906 1.300 -3.845 81 2HB PHE 10 2HB PHE 10 -7.250 2.264 -3.277 82 HD1 PHE 10 HD2 PHE 10 -7.218 4.706 -3.209 83 HD2 PHE 10 HD1 PHE 10 -3.862 2.418 -4.685 84 HE1 PHE 10 HE2 PHE 10 -6.106 6.785 -3.910 85 HE2 PHE 10 HE1 PHE 10 -2.769 4.530 -5.424 86 HZ PHE 10 HZ PHE 10 -3.847 6.704 -4.928 87 H GLU 11 H GLU 11 -7.985 2.813 -0.978 88 HA GLU 11 HA GLU 11 -7.245 5.501 -0.304 89 1HB GLU 11 1HB GLU 11 -9.663 3.802 0.433 90 2HB GLU 11 2HB GLU 11 -9.495 5.517 0.843 91 1HG GLU 11 1HG GLU 11 -9.307 6.128 -1.518 92 2HG GLU 11 2HG GLU 11 -9.369 4.432 -2.008 93 H LYS 12 H LYS 12 -7.903 2.625 1.731 94 HA LYS 12 HA LYS 12 -7.507 3.616 4.289 95 1HB LYS 12 1HB LYS 12 -8.264 1.401 4.015 96 2HB LYS 12 2HB LYS 12 -6.887 0.943 2.997 97 1HG LYS 12 1HG LYS 12 -5.385 0.770 4.741 98 2HG LYS 12 2HG LYS 12 -6.401 1.708 5.865 99 1HD LYS 12 1HD LYS 12 -6.375 -0.714 6.378 100 2HD LYS 12 2HD LYS 12 -8.005 -0.105 6.043 101 1HE LYS 12 1HE LYS 12 -8.000 -1.081 3.818 102 2HE LYS 12 2HE LYS 12 -6.278 -1.486 3.944 103 1HZ LYS 12 1HZ LYS 12 -8.424 -2.626 5.585 104 2HZ LYS 12 2HZ LYS 12 -7.667 -3.371 4.325 105 3HZ LYS 12 3HZ LYS 12 -6.823 -3.009 5.691 106 H TYR 13 H TYR 13 -4.975 2.299 2.106 107 HA TYR 13 HA TYR 13 -2.881 2.973 4.038 108 1HB TYR 13 1HB TYR 13 -2.865 1.816 1.263 109 2HB TYR 13 2HB TYR 13 -1.391 2.227 2.141 110 HD1 TYR 13 HD1 TYR 13 -0.988 1.261 4.426 111 HD2 TYR 13 HD2 TYR 13 -4.223 -0.156 2.018 112 HE1 TYR 13 HE1 TYR 13 -1.080 -0.867 5.757 113 HE2 TYR 13 HE2 TYR 13 -4.220 -2.298 3.175 114 HH TYR 13 HH TYR 13 -3.451 -3.450 5.045 115 H ALA 14 H ALA 14 -3.987 4.333 0.935 116 HA ALA 14 HA ALA 14 -2.017 6.355 0.644 117 1HB ALA 14 3HB ALA 14 -3.625 5.745 -1.130 118 2HB ALA 14 1HB ALA 14 -4.941 6.455 -0.168 119 3HB ALA 14 2HB ALA 14 -3.629 7.470 -0.804 120 H ALA 15 H ALA 15 -5.071 6.500 2.435 121 HA ALA 15 HA ALA 15 -4.756 9.217 3.286 122 1HB ALA 15 3HB ALA 15 -6.910 7.921 3.373 123 2HB ALA 15 1HB ALA 15 -6.210 6.910 4.662 124 3HB ALA 15 2HB ALA 15 -6.490 8.639 4.946 125 H LYS 16 H LYS 16 -3.039 6.359 4.326 126 HA LYS 16 HA LYS 16 -2.650 7.238 7.049 127 1HB LYS 16 1HB LYS 16 -2.588 4.873 6.180 128 2HB LYS 16 2HB LYS 16 -1.001 5.226 5.469 129 1HG LYS 16 1HG LYS 16 -0.197 5.890 7.767 130 2HG LYS 16 2HG LYS 16 -1.748 5.331 8.422 131 1HD LYS 16 1HD LYS 16 0.303 3.671 6.885 132 2HD LYS 16 2HD LYS 16 0.007 3.611 8.630 133 1HE LYS 16 1HE LYS 16 -2.369 2.865 8.129 134 2HE LYS 16 2HE LYS 16 -1.924 2.756 6.414 135 1HZ LYS 16 3HZ LYS 16 -0.256 1.170 6.999 136 2HZ LYS 16 1HZ LYS 16 -0.668 1.255 8.593 137 3HZ LYS 16 2HZ LYS 16 -1.743 0.665 7.494 138 H GLU 17 H GLU 17 -2.044 9.412 6.622 139 HA GLU 17 HA GLU 17 -0.477 11.043 6.837 140 1HB GLU 17 1HB GLU 17 1.205 9.285 7.498 141 2HB GLU 17 2HB GLU 17 1.721 9.192 5.811 142 1HG GLU 17 1HG GLU 17 1.734 11.745 7.476 143 2HG GLU 17 2HG GLU 17 3.114 10.654 7.305 144 H GLY 18 H GLY 18 -0.270 9.012 3.945 145 1HA GLY 18 1HA GLY 18 0.391 11.151 2.115 146 2HA GLY 18 2HA GLY 18 -0.252 9.556 1.694 147 H ASP 19 H ASP 19 -1.232 11.372 0.142 148 HA ASP 19 HA ASP 19 -3.707 12.564 1.191 149 1HB ASP 19 1HB ASP 19 -2.383 13.711 -0.572 150 2HB ASP 19 2HB ASP 19 -2.644 12.338 -1.660 151 HA PRO 20 HA PRO 20 -5.828 8.637 0.667 152 1HB PRO 20 1HB PRO 20 -8.389 9.520 -0.048 153 2HB PRO 20 2HB PRO 20 -7.748 9.369 1.613 154 1HG PRO 20 1HG PRO 20 -7.842 11.827 -0.141 155 2HG PRO 20 2HG PRO 20 -8.273 11.694 1.591 156 1HD PRO 20 1HD PRO 20 -5.902 12.681 0.866 157 2HD PRO 20 2HD PRO 20 -5.960 11.516 2.217 158 H ASN 21 H ASN 21 -5.850 11.031 -1.962 159 HA ASN 21 HA ASN 21 -6.829 9.142 -3.954 160 1HB ASN 21 1HB ASN 21 -5.640 11.929 -4.219 161 2HB ASN 21 2HB ASN 21 -6.461 11.009 -5.473 162 1HD2 ASN 21 1HD2 ASN 21 -8.622 13.059 -2.699 163 2HD2 ASN 21 2HD2 ASN 21 -6.869 12.939 -2.572 164 H GLN 22 H GLN 22 -3.723 9.551 -2.482 165 HA GLN 22 HA GLN 22 -2.361 8.344 -4.791 166 1HB GLN 22 1HB GLN 22 -2.488 10.654 -5.436 167 2HB GLN 22 2HB GLN 22 -1.787 11.184 -3.899 168 1HG GLN 22 1HG GLN 22 0.312 10.435 -4.441 169 2HG GLN 22 2HG GLN 22 -0.263 9.174 -5.547 170 1HE2 GLN 22 1HE2 GLN 22 0.720 12.775 -7.092 171 2HE2 GLN 22 2HE2 GLN 22 0.846 12.481 -5.360 172 H LEU 23 H LEU 23 -1.039 6.821 -4.045 173 HA LEU 23 HA LEU 23 -0.224 6.685 -1.254 174 1HB LEU 23 1HB LEU 23 0.463 5.009 -3.676 175 2HB LEU 23 2HB LEU 23 0.908 4.656 -2.027 176 HG LEU 23 HG LEU 23 -2.022 4.950 -2.724 177 1HD1 LEU 23 3HD1 LEU 23 -1.036 3.363 -4.367 178 2HD1 LEU 23 1HD1 LEU 23 -0.317 2.456 -3.021 179 3HD1 LEU 23 2HD1 LEU 23 -2.074 2.525 -3.180 180 1HD2 LEU 23 1HD2 LEU 23 -1.198 4.697 -0.343 181 2HD2 LEU 23 2HD2 LEU 23 -2.299 3.405 -0.855 182 3HD2 LEU 23 3HD2 LEU 23 -0.549 3.112 -0.762 183 H SER 24 H SER 24 1.842 7.273 -0.480 184 HA SER 24 HA SER 24 4.004 7.791 -2.474 185 1HB SER 24 1HB SER 24 5.153 9.023 -0.915 186 2HB SER 24 2HB SER 24 3.484 9.517 -0.628 187 HG SER 24 HG SER 24 3.460 8.306 1.205 188 H LYS 25 H LYS 25 6.214 6.949 -1.260 189 HA LYS 25 HA LYS 25 6.152 4.203 -1.758 190 1HB LYS 25 1HB LYS 25 8.154 5.878 -0.156 191 2HB LYS 25 2HB LYS 25 8.423 4.186 -0.596 192 1HG LYS 25 1HG LYS 25 8.288 4.735 -2.983 193 2HG LYS 25 2HG LYS 25 8.017 6.440 -2.595 194 1HD LYS 25 1HD LYS 25 10.243 6.456 -1.383 195 2HD LYS 25 2HD LYS 25 10.470 4.765 -1.853 196 1HE LYS 25 1HE LYS 25 11.720 6.144 -3.386 197 2HE LYS 25 2HE LYS 25 10.351 5.446 -4.268 198 1HZ LYS 25 1HZ LYS 25 10.495 8.166 -3.150 199 2HZ LYS 25 2HZ LYS 25 10.640 7.760 -4.741 200 3HZ LYS 25 3HZ LYS 25 9.207 7.536 -3.962 201 H GLU 26 H GLU 26 6.069 5.817 1.459 202 HA GLU 26 HA GLU 26 6.341 3.326 2.836 203 1HB GLU 26 1HB GLU 26 6.849 5.538 3.873 204 2HB GLU 26 2HB GLU 26 5.129 5.966 3.824 205 1HG GLU 26 1HG GLU 26 4.599 4.100 5.354 206 2HG GLU 26 2HG GLU 26 6.295 3.589 5.339 207 H GLU 27 H GLU 27 3.470 5.224 2.012 208 HA GLU 27 HA GLU 27 1.558 3.449 3.102 209 1HB GLU 27 1HB GLU 27 1.240 5.097 0.554 210 2HB GLU 27 2HB GLU 27 -0.023 4.286 1.496 211 1HG GLU 27 1HG GLU 27 -0.182 6.488 2.237 212 2HG GLU 27 2HG GLU 27 0.728 5.684 3.517 213 H LEU 28 H LEU 28 3.014 3.411 -0.275 214 HA LEU 28 HA LEU 28 1.833 0.923 -0.941 215 1HB LEU 28 1HB LEU 28 4.334 2.383 -1.826 216 2HB LEU 28 2HB LEU 28 4.066 0.723 -2.391 217 HG LEU 28 HG LEU 28 1.860 2.715 -2.436 218 1HD1 LEU 28 1HD1 LEU 28 3.942 2.408 -4.617 219 2HD1 LEU 28 2HD1 LEU 28 2.410 3.301 -4.768 220 3HD1 LEU 28 3HD1 LEU 28 3.625 3.856 -3.603 221 1HD2 LEU 28 3HD2 LEU 28 2.566 0.301 -4.215 222 2HD2 LEU 28 1HD2 LEU 28 1.290 0.317 -2.988 223 3HD2 LEU 28 2HD2 LEU 28 1.129 1.302 -4.447 224 H LYS 29 H LYS 29 4.820 1.494 0.879 225 HA LYS 29 HA LYS 29 5.592 -1.259 0.731 226 1HB LYS 29 1HB LYS 29 6.974 0.784 1.478 227 2HB LYS 29 2HB LYS 29 6.094 0.773 2.983 228 1HG LYS 29 1HG LYS 29 6.953 -1.580 3.418 229 2HG LYS 29 2HG LYS 29 7.909 -1.449 1.929 230 1HD LYS 29 1HD LYS 29 9.059 0.570 2.901 231 2HD LYS 29 2HD LYS 29 8.115 0.362 4.386 232 1HE LYS 29 1HE LYS 29 9.117 -1.893 4.711 233 2HE LYS 29 2HE LYS 29 10.061 -1.689 3.221 234 1HZ LYS 29 1HZ LYS 29 10.262 -0.008 5.621 235 2HZ LYS 29 2HZ LYS 29 11.335 -1.170 5.156 236 3HZ LYS 29 3HZ LYS 29 11.138 0.183 4.237 237 H LEU 30 H LEU 30 3.823 0.550 3.195 238 HA LEU 30 HA LEU 30 3.304 -1.732 4.859 239 1HB LEU 30 1HB LEU 30 1.748 0.875 4.541 240 2HB LEU 30 2HB LEU 30 1.468 -0.287 5.844 241 HG LEU 30 HG LEU 30 4.153 1.102 5.379 242 1HD1 LEU 30 3HD1 LEU 30 2.393 2.744 5.907 243 2HD1 LEU 30 1HD1 LEU 30 1.937 1.795 7.344 244 3HD1 LEU 30 2HD1 LEU 30 3.535 2.562 7.250 245 1HD2 LEU 30 3HD2 LEU 30 3.048 -0.500 7.731 246 2HD2 LEU 30 1HD2 LEU 30 4.384 -0.984 6.662 247 3HD2 LEU 30 2HD2 LEU 30 4.573 0.406 7.734 248 H LEU 31 H LEU 31 1.340 -0.255 2.311 249 HA LEU 31 HA LEU 31 -0.866 -1.995 2.323 250 1HB LEU 31 1HB LEU 31 -0.608 0.042 0.960 251 2HB LEU 31 2HB LEU 31 0.557 -0.764 -0.078 252 HG LEU 31 HG LEU 31 -2.310 -1.692 0.272 253 1HD1 LEU 31 1HD1 LEU 31 -1.085 0.131 -1.850 254 2HD1 LEU 31 2HD1 LEU 31 -2.738 -0.508 -1.894 255 3HD1 LEU 31 3HD1 LEU 31 -2.262 0.616 -0.617 256 1HD2 LEU 31 3HD2 LEU 31 -0.179 -2.335 -1.819 257 2HD2 LEU 31 1HD2 LEU 31 -1.012 -3.481 -0.744 258 3HD2 LEU 31 2HD2 LEU 31 -1.903 -2.693 -2.032 259 H LEU 32 H LEU 32 2.165 -2.298 0.503 260 HA LEU 32 HA LEU 32 1.610 -4.833 -0.655 261 1HB LEU 32 1HB LEU 32 4.223 -3.428 0.031 262 2HB LEU 32 2HB LEU 32 4.171 -4.955 -0.851 263 HG LEU 32 HG LEU 32 2.638 -2.547 -1.882 264 1HD1 LEU 32 3HD1 LEU 32 5.021 -1.864 -1.585 265 2HD1 LEU 32 1HD1 LEU 32 5.534 -3.304 -2.481 266 3HD1 LEU 32 2HD1 LEU 32 4.591 -2.030 -3.292 267 1HD2 LEU 32 3HD2 LEU 32 3.854 -4.994 -3.220 268 2HD2 LEU 32 1HD2 LEU 32 2.125 -4.766 -2.863 269 3HD2 LEU 32 2HD2 LEU 32 2.938 -3.700 -4.022 270 H GLN 33 H GLN 33 3.631 -4.071 2.250 271 HA GLN 33 HA GLN 33 4.256 -6.702 2.897 272 1HB GLN 33 1HB GLN 33 5.217 -4.584 3.914 273 2HB GLN 33 2HB GLN 33 3.736 -4.427 4.866 274 1HG GLN 33 1HG GLN 33 5.385 -5.456 6.272 275 2HG GLN 33 2HG GLN 33 4.236 -6.727 5.859 276 1HE2 GLN 33 1HE2 GLN 33 8.095 -6.830 4.384 277 2HE2 GLN 33 2HE2 GLN 33 7.437 -5.331 5.017 278 H THR 34 H THR 34 1.471 -4.789 3.993 279 HA THR 34 HA THR 34 0.551 -6.894 5.740 280 HB THR 34 HB THR 34 -1.009 -4.473 4.791 281 HG1 THR 34 HG1 THR 34 0.872 -3.696 5.563 282 1HG2 THR 34 1HG2 THR 34 -1.075 -6.134 7.358 283 2HG2 THR 34 2HG2 THR 34 -2.010 -4.656 7.076 284 3HG2 THR 34 3HG2 THR 34 -2.337 -6.104 6.105 285 H GLU 35 H GLU 35 -0.607 -5.670 2.523 286 HA GLU 35 HA GLU 35 -2.828 -7.575 2.585 287 1HB GLU 35 1HB GLU 35 -2.035 -5.421 0.576 288 2HB GLU 35 2HB GLU 35 -3.543 -6.320 0.617 289 1HG GLU 35 1HG GLU 35 -2.485 -4.350 2.705 290 2HG GLU 35 2HG GLU 35 -3.765 -4.066 1.534 291 H PHE 36 H PHE 36 0.317 -7.230 1.047 292 HA PHE 36 HA PHE 36 -0.057 -9.776 -0.417 293 1HB PHE 36 1HB PHE 36 0.867 -7.187 -1.712 294 2HB PHE 36 2HB PHE 36 0.802 -8.781 -2.448 295 HD1 PHE 36 HD1 PHE 36 -1.415 -9.904 -2.901 296 HD2 PHE 36 HD2 PHE 36 -1.029 -5.744 -1.814 297 HE1 PHE 36 HE1 PHE 36 -3.479 -9.385 -4.155 298 HE2 PHE 36 HE2 PHE 36 -3.050 -5.219 -3.178 299 HZ PHE 36 HZ PHE 36 -4.175 -7.033 -4.449 300 HA PRO 37 HA PRO 37 4.141 -9.056 1.606 301 1HB PRO 37 1HB PRO 37 4.307 -11.516 2.855 302 2HB PRO 37 2HB PRO 37 3.611 -10.047 3.588 303 1HG PRO 37 1HG PRO 37 2.142 -12.311 2.230 304 2HG PRO 37 2HG PRO 37 1.739 -11.507 3.776 305 1HD PRO 37 1HD PRO 37 0.489 -10.873 1.455 306 2HD PRO 37 2HD PRO 37 0.862 -9.597 2.635 307 H SER 38 H SER 38 2.531 -11.485 -0.349 308 HA SER 38 HA SER 38 4.655 -13.095 -1.325 309 1HB SER 38 1HB SER 38 2.858 -13.177 -3.249 310 2HB SER 38 2HB SER 38 2.418 -13.809 -1.650 311 HG SER 38 HG SER 38 0.825 -12.349 -2.466 312 H LEU 39 H LEU 39 2.955 -10.235 -2.572 313 HA LEU 39 HA LEU 39 4.718 -9.756 -4.782 314 1HB LEU 39 1HB LEU 39 2.816 -7.948 -3.286 315 2HB LEU 39 2HB LEU 39 3.618 -7.483 -4.799 316 HG LEU 39 HG LEU 39 1.694 -9.814 -4.452 317 1HD1 LEU 39 3HD1 LEU 39 0.793 -7.365 -4.357 318 2HD1 LEU 39 1HD1 LEU 39 1.256 -7.267 -6.060 319 3HD1 LEU 39 2HD1 LEU 39 0.058 -8.464 -5.527 320 1HD2 LEU 39 3HD2 LEU 39 3.073 -8.733 -6.946 321 2HD2 LEU 39 1HD2 LEU 39 3.206 -10.372 -6.269 322 3HD2 LEU 39 2HD2 LEU 39 1.681 -9.834 -6.972 323 H LEU 40 H LEU 40 4.543 -8.407 -1.507 324 HA LEU 40 HA LEU 40 6.500 -6.430 -1.762 325 1HB LEU 40 1HB LEU 40 5.036 -6.806 0.221 326 2HB LEU 40 2HB LEU 40 6.020 -8.185 0.684 327 HG LEU 40 HG LEU 40 6.356 -6.002 1.915 328 1HD1 LEU 40 3HD1 LEU 40 7.931 -7.893 2.093 329 2HD1 LEU 40 1HD1 LEU 40 8.901 -7.208 0.771 330 3HD1 LEU 40 2HD1 LEU 40 8.707 -6.309 2.272 331 1HD2 LEU 40 1HD2 LEU 40 6.425 -4.494 -0.067 332 2HD2 LEU 40 2HD2 LEU 40 7.804 -4.304 1.027 333 3HD2 LEU 40 3HD2 LEU 40 8.010 -5.176 -0.499 334 H LYS 41 H LYS 41 6.952 -9.844 -0.870 335 HA LYS 41 HA LYS 41 9.854 -9.675 -0.846 336 1HB LYS 41 1HB LYS 41 7.882 -11.995 -0.836 337 2HB LYS 41 2HB LYS 41 9.632 -12.162 -0.645 338 1HG LYS 41 1HG LYS 41 9.605 -10.818 1.394 339 2HG LYS 41 2HG LYS 41 7.884 -10.451 1.184 340 1HD LYS 41 1HD LYS 41 7.325 -12.853 1.378 341 2HD LYS 41 2HD LYS 41 9.041 -13.231 1.648 342 1HE LYS 41 1HE LYS 41 9.026 -11.781 3.680 343 2HE LYS 41 2HE LYS 41 7.316 -11.401 3.395 344 1HZ LYS 41 3HZ LYS 41 6.817 -13.717 3.668 345 2HZ LYS 41 1HZ LYS 41 8.405 -14.073 3.935 346 3HZ LYS 41 2HZ LYS 41 7.581 -13.126 5.003 347 H GLY 42 H GLY 42 7.564 -11.391 -2.953 348 1HA GLY 42 1HA GLY 42 9.598 -11.920 -5.004 349 2HA GLY 42 2HA GLY 42 7.903 -12.428 -4.990 350 H GLY 43 H GLY 43 9.826 -9.366 -5.121 351 1HA GLY 43 1HA GLY 43 8.602 -8.620 -7.660 352 2HA GLY 43 2HA GLY 43 8.047 -7.639 -6.283 353 H SER 44 H SER 44 9.344 -6.227 -8.186 354 HA SER 44 HA SER 44 12.109 -5.946 -8.003 355 1HB SER 44 1HB SER 44 10.316 -3.539 -8.215 356 2HB SER 44 2HB SER 44 11.681 -4.030 -9.240 357 HG SER 44 HG SER 44 9.652 -4.229 -10.286 358 H THR 45 H THR 45 13.269 -4.023 -6.856 359 HA THR 45 HA THR 45 12.641 -4.062 -4.031 360 HB THR 45 HB THR 45 14.370 -2.354 -3.821 361 HG1 THR 45 HG1 THR 45 15.416 -1.673 -5.790 362 1HG2 THR 45 3HG2 THR 45 15.049 -4.745 -4.120 363 2HG2 THR 45 1HG2 THR 45 15.232 -4.458 -5.864 364 3HG2 THR 45 2HG2 THR 45 16.268 -3.601 -4.711 365 H LEU 46 H LEU 46 11.908 -2.164 -2.779 366 HA LEU 46 HA LEU 46 9.437 -1.384 -3.628 367 1HB LEU 46 1HB LEU 46 10.179 -1.264 -1.279 368 2HB LEU 46 2HB LEU 46 11.319 0.027 -1.683 369 HG LEU 46 HG LEU 46 9.429 1.550 -2.219 370 1HD1 LEU 46 1HD1 LEU 46 7.687 -0.761 -1.226 371 2HD1 LEU 46 2HD1 LEU 46 7.127 0.900 -1.500 372 3HD1 LEU 46 3HD1 LEU 46 7.678 -0.075 -2.866 373 1HD2 LEU 46 3HD2 LEU 46 9.314 0.240 0.519 374 2HD2 LEU 46 1HD2 LEU 46 10.429 1.528 0.017 375 3HD2 LEU 46 2HD2 LEU 46 8.689 1.853 0.116 376 H ASP 47 H ASP 47 12.369 0.596 -3.899 377 HA ASP 47 HA ASP 47 11.149 2.850 -5.062 378 1HB ASP 47 1HB ASP 47 13.974 1.744 -5.445 379 2HB ASP 47 2HB ASP 47 13.448 3.387 -5.823 380 H GLU 48 H GLU 48 12.486 -0.056 -6.595 381 HA GLU 48 HA GLU 48 12.140 0.823 -9.320 382 1HB GLU 48 1HB GLU 48 12.208 -1.947 -8.077 383 2HB GLU 48 2HB GLU 48 12.214 -1.645 -9.822 384 1HG GLU 48 1HG GLU 48 14.355 -0.548 -9.715 385 2HG GLU 48 2HG GLU 48 14.355 -0.550 -7.951 386 H LEU 49 H LEU 49 10.163 -1.139 -7.101 387 HA LEU 49 HA LEU 49 8.055 -1.605 -8.944 388 1HB LEU 49 1HB LEU 49 8.394 -2.918 -6.886 389 2HB LEU 49 2HB LEU 49 8.006 -1.505 -5.901 390 HG LEU 49 HG LEU 49 5.696 -1.507 -6.731 391 1HD1 LEU 49 1HD1 LEU 49 6.564 -3.918 -8.397 392 2HD1 LEU 49 2HD1 LEU 49 4.876 -3.446 -8.106 393 3HD1 LEU 49 3HD1 LEU 49 5.940 -2.371 -9.015 394 1HD2 LEU 49 1HD2 LEU 49 6.352 -2.896 -4.775 395 2HD2 LEU 49 2HD2 LEU 49 4.971 -3.583 -5.655 396 3HD2 LEU 49 3HD2 LEU 49 6.592 -4.286 -5.851 397 H PHE 50 H PHE 50 8.559 0.908 -6.502 398 HA PHE 50 HA PHE 50 6.158 2.354 -6.809 399 1HB PHE 50 1HB PHE 50 7.862 2.663 -5.015 400 2HB PHE 50 2HB PHE 50 8.972 3.363 -6.184 401 HD1 PHE 50 HD1 PHE 50 5.742 3.798 -4.441 402 HD2 PHE 50 HD2 PHE 50 8.762 5.725 -6.824 403 HE1 PHE 50 HE1 PHE 50 4.848 6.002 -3.785 404 HE2 PHE 50 HE2 PHE 50 8.013 7.929 -5.967 405 HZ PHE 50 HZ PHE 50 6.175 8.041 -4.282 406 H GLU 51 H GLU 51 9.315 2.747 -8.519 407 HA GLU 51 HA GLU 51 8.460 4.837 -10.212 408 1HB GLU 51 1HB GLU 51 10.824 4.091 -9.839 409 2HB GLU 51 2HB GLU 51 10.503 2.651 -10.818 410 1HG GLU 51 1HG GLU 51 9.990 4.105 -12.774 411 2HG GLU 51 2HG GLU 51 10.286 5.540 -11.778 412 H GLU 52 H GLU 52 8.414 1.322 -10.730 413 HA GLU 52 HA GLU 52 7.286 1.313 -13.327 414 1HB GLU 52 1HB GLU 52 7.016 -0.706 -11.066 415 2HB GLU 52 2HB GLU 52 6.440 -0.986 -12.712 416 1HG GLU 52 1HG GLU 52 8.672 -0.824 -13.625 417 2HG GLU 52 2HG GLU 52 9.351 -0.329 -12.077 418 H LEU 53 H LEU 53 5.653 1.378 -10.164 419 HA LEU 53 HA LEU 53 2.993 1.276 -11.297 420 1HB LEU 53 1HB LEU 53 4.048 2.107 -8.568 421 2HB LEU 53 2HB LEU 53 2.350 1.961 -9.007 422 HG LEU 53 HG LEU 53 4.326 -0.353 -9.023 423 1HD1 LEU 53 3HD1 LEU 53 3.822 0.507 -6.756 424 2HD1 LEU 53 1HD1 LEU 53 2.083 0.350 -7.089 425 3HD1 LEU 53 2HD1 LEU 53 3.113 -1.095 -7.019 426 1HD2 LEU 53 3HD2 LEU 53 1.325 -0.323 -9.485 427 2HD2 LEU 53 1HD2 LEU 53 2.593 -0.779 -10.651 428 3HD2 LEU 53 2HD2 LEU 53 2.331 -1.771 -9.227 429 H ASP 54 H ASP 54 5.068 3.909 -10.171 430 HA ASP 54 HA ASP 54 3.122 6.007 -10.637 431 1HB ASP 54 1HB ASP 54 4.879 6.392 -9.019 432 2HB ASP 54 2HB ASP 54 6.101 6.031 -10.224 433 H LYS 55 H LYS 55 2.547 5.049 -12.796 434 HA LYS 55 HA LYS 55 4.212 5.538 -15.083 435 1HB LYS 55 1HB LYS 55 1.198 5.360 -14.831 436 2HB LYS 55 2HB LYS 55 2.067 5.377 -16.360 437 1HG LYS 55 1HG LYS 55 2.262 3.272 -14.161 438 2HG LYS 55 2HG LYS 55 1.492 3.110 -15.734 439 1HD LYS 55 1HD LYS 55 4.495 3.336 -15.205 440 2HD LYS 55 2HD LYS 55 3.580 1.911 -15.635 441 1HE LYS 55 1HE LYS 55 4.534 2.497 -17.663 442 2HE LYS 55 2HE LYS 55 2.895 3.147 -17.814 443 1HZ LYS 55 1HZ LYS 55 5.320 4.652 -17.079 444 2HZ LYS 55 2HZ LYS 55 4.584 4.672 -18.553 445 3HZ LYS 55 3HZ LYS 55 3.820 5.305 -17.243 446 H ASN 56 H ASN 56 2.060 7.600 -13.205 447 HA ASN 56 HA ASN 56 1.766 9.626 -15.181 448 1HB ASN 56 1HB ASN 56 0.596 10.853 -13.689 449 2HB ASN 56 2HB ASN 56 0.381 9.252 -12.991 450 1HD2 ASN 56 1HD2 ASN 56 2.046 10.224 -9.949 451 2HD2 ASN 56 2HD2 ASN 56 1.097 9.004 -10.765 452 H GLY 57 H GLY 57 4.207 9.202 -12.615 453 1HA GLY 57 1HA GLY 57 6.460 9.688 -13.155 454 2HA GLY 57 2HA GLY 57 5.982 11.099 -14.095 455 H ASP 58 H ASP 58 4.049 11.533 -11.457 456 HA ASP 58 HA ASP 58 5.786 13.583 -10.508 457 1HB ASP 58 1HB ASP 58 3.963 14.351 -9.289 458 2HB ASP 58 2HB ASP 58 3.279 13.723 -10.779 459 H GLY 59 H GLY 59 6.304 10.491 -9.756 460 1HA GLY 59 1HA GLY 59 7.520 9.538 -8.085 461 2HA GLY 59 2HA GLY 59 7.721 11.136 -7.354 462 H GLU 60 H GLU 60 4.545 9.651 -8.013 463 HA GLU 60 HA GLU 60 4.228 8.308 -5.492 464 1HB GLU 60 1HB GLU 60 2.525 10.754 -6.100 465 2HB GLU 60 2HB GLU 60 2.243 9.552 -4.813 466 1HG GLU 60 1HG GLU 60 4.443 10.260 -3.795 467 2HG GLU 60 2HG GLU 60 4.438 11.632 -4.929 468 H VAL 61 H VAL 61 1.885 7.396 -5.481 469 HA VAL 61 HA VAL 61 1.235 6.636 -8.313 470 HB VAL 61 HB VAL 61 1.173 4.818 -5.903 471 1HG1 VAL 61 3HG1 VAL 61 -0.083 4.215 -8.037 472 2HG1 VAL 61 1HG1 VAL 61 1.505 4.231 -8.865 473 3HG1 VAL 61 2HG1 VAL 61 1.171 3.073 -7.547 474 1HG2 VAL 61 3HG2 VAL 61 3.454 5.272 -7.863 475 2HG2 VAL 61 1HG2 VAL 61 3.527 5.494 -6.101 476 3HG2 VAL 61 2HG2 VAL 61 3.350 3.877 -6.795 477 H SER 62 H SER 62 -0.779 7.420 -8.786 478 HA SER 62 HA SER 62 -2.884 7.455 -6.746 479 1HB SER 62 1HB SER 62 -2.641 9.298 -8.402 480 2HB SER 62 2HB SER 62 -3.180 8.166 -9.660 481 HG SER 62 HG SER 62 -4.577 8.938 -7.283 482 H PHE 63 H PHE 63 -5.118 6.716 -7.774 483 HA PHE 63 HA PHE 63 -4.966 3.922 -7.302 484 1HB PHE 63 1HB PHE 63 -6.884 5.247 -6.582 485 2HB PHE 63 2HB PHE 63 -7.340 5.554 -8.259 486 HD1 PHE 63 HD1 PHE 63 -6.419 2.550 -6.151 487 HD2 PHE 63 HD2 PHE 63 -9.149 4.218 -9.046 488 HE1 PHE 63 HE1 PHE 63 -7.639 0.410 -6.231 489 HE2 PHE 63 HE2 PHE 63 -10.381 2.070 -9.097 490 HZ PHE 63 HZ PHE 63 -9.635 0.163 -7.658 491 H GLU 64 H GLU 64 -5.766 5.659 -10.332 492 HA GLU 64 HA GLU 64 -6.410 3.332 -11.814 493 1HB GLU 64 1HB GLU 64 -5.302 6.038 -12.719 494 2HB GLU 64 2HB GLU 64 -5.837 4.764 -13.818 495 1HG GLU 64 1HG GLU 64 -7.623 6.383 -13.531 496 2HG GLU 64 2HG GLU 64 -8.103 4.815 -12.876 497 H GLU 65 H GLU 65 -3.304 5.135 -11.722 498 HA GLU 65 HA GLU 65 -1.890 3.172 -13.225 499 1HB GLU 65 1HB GLU 65 0.119 4.345 -12.562 500 2HB GLU 65 2HB GLU 65 -1.142 5.446 -13.121 501 1HG GLU 65 1HG GLU 65 -1.732 5.909 -10.696 502 2HG GLU 65 2HG GLU 65 -0.334 4.926 -10.231 503 H PHE 66 H PHE 66 -2.387 3.456 -9.650 504 HA PHE 66 HA PHE 66 -0.768 1.329 -8.806 505 1HB PHE 66 1HB PHE 66 -1.858 2.571 -7.163 506 2HB PHE 66 2HB PHE 66 -3.387 2.483 -7.982 507 HD1 PHE 66 HD1 PHE 66 -1.092 0.383 -5.926 508 HD2 PHE 66 HD2 PHE 66 -5.033 0.885 -7.596 509 HE1 PHE 66 HE1 PHE 66 -1.932 -1.492 -4.528 510 HE2 PHE 66 HE2 PHE 66 -5.810 -1.136 -6.379 511 HZ PHE 66 HZ PHE 66 -4.283 -2.267 -4.764 512 H GLN 67 H GLN 67 -3.797 1.111 -10.708 513 HA GLN 67 HA GLN 67 -4.182 -1.681 -10.350 514 1HB GLN 67 1HB GLN 67 -4.752 -0.111 -12.873 515 2HB GLN 67 2HB GLN 67 -5.384 -1.699 -12.468 516 1HG GLN 67 1HG GLN 67 -5.983 0.796 -10.815 517 2HG GLN 67 2HG GLN 67 -6.998 0.159 -12.100 518 1HE2 GLN 67 1HE2 GLN 67 -6.917 -1.813 -8.497 519 2HE2 GLN 67 2HE2 GLN 67 -5.647 -0.653 -8.858 520 H VAL 68 H VAL 68 -1.542 -0.116 -12.044 521 HA VAL 68 HA VAL 68 -0.724 -2.253 -13.719 522 HB VAL 68 HB VAL 68 0.868 -0.211 -12.151 523 1HG1 VAL 68 1HG1 VAL 68 1.818 -2.113 -14.339 524 2HG1 VAL 68 2HG1 VAL 68 2.729 -0.708 -13.744 525 3HG1 VAL 68 3HG1 VAL 68 2.398 -2.060 -12.661 526 1HG2 VAL 68 1HG2 VAL 68 -0.681 0.651 -13.985 527 2HG2 VAL 68 2HG2 VAL 68 1.033 0.933 -14.318 528 3HG2 VAL 68 3HG2 VAL 68 0.174 -0.393 -15.127 529 H LEU 69 H LEU 69 -0.658 -1.919 -10.174 530 HA LEU 69 HA LEU 69 1.110 -4.148 -9.725 531 1HB LEU 69 1HB LEU 69 0.464 -2.357 -8.020 532 2HB LEU 69 2HB LEU 69 -1.137 -3.084 -7.960 533 HG LEU 69 HG LEU 69 -0.065 -5.250 -7.188 534 1HD1 LEU 69 1HD1 LEU 69 2.405 -3.463 -6.983 535 2HD1 LEU 69 2HD1 LEU 69 2.238 -5.049 -6.211 536 3HD1 LEU 69 3HD1 LEU 69 2.248 -4.932 -7.972 537 1HD2 LEU 69 1HD2 LEU 69 -1.122 -3.677 -5.630 538 2HD2 LEU 69 2HD2 LEU 69 0.288 -4.447 -4.889 539 3HD2 LEU 69 3HD2 LEU 69 0.403 -2.774 -5.479 540 H VAL 70 H VAL 70 -2.407 -3.754 -10.224 541 HA VAL 70 HA VAL 70 -3.066 -6.496 -9.577 542 HB VAL 70 HB VAL 70 -4.712 -4.511 -11.204 543 1HG1 VAL 70 3HG1 VAL 70 -5.447 -6.912 -11.231 544 2HG1 VAL 70 1HG1 VAL 70 -5.502 -6.896 -9.462 545 3HG1 VAL 70 2HG1 VAL 70 -6.597 -5.856 -10.397 546 1HG2 VAL 70 3HG2 VAL 70 -4.516 -4.974 -8.204 547 2HG2 VAL 70 1HG2 VAL 70 -4.125 -3.463 -9.027 548 3HG2 VAL 70 2HG2 VAL 70 -5.800 -4.019 -8.995 549 H LYS 71 H LYS 71 -2.224 -4.675 -12.535 550 HA LYS 71 HA LYS 71 -2.441 -6.863 -14.359 551 1HB LYS 71 1HB LYS 71 -2.101 -4.717 -15.267 552 2HB LYS 71 2HB LYS 71 -0.634 -4.440 -14.324 553 1HG LYS 71 1HG LYS 71 0.599 -6.106 -15.520 554 2HG LYS 71 2HG LYS 71 -0.853 -6.620 -16.417 555 1HD LYS 71 1HD LYS 71 -1.001 -4.356 -17.447 556 2HD LYS 71 2HD LYS 71 0.445 -3.852 -16.546 557 1HE LYS 71 1HE LYS 71 1.775 -5.617 -17.698 558 2HE LYS 71 2HE LYS 71 0.329 -6.125 -18.590 559 1HZ LYS 71 3HZ LYS 71 0.250 -3.955 -19.577 560 2HZ LYS 71 1HZ LYS 71 1.596 -3.482 -18.751 561 3HZ LYS 71 2HZ LYS 71 1.698 -4.678 -19.878 562 H LYS 72 H LYS 72 0.389 -5.833 -12.453 563 HA LYS 72 HA LYS 72 2.029 -8.046 -12.986 564 1HB LYS 72 1HB LYS 72 1.851 -6.202 -10.612 565 2HB LYS 72 2HB LYS 72 2.724 -7.716 -10.424 566 1HG LYS 72 1HG LYS 72 4.330 -6.151 -10.990 567 2HG LYS 72 2HG LYS 72 4.115 -7.155 -12.429 568 1HD LYS 72 1HD LYS 72 2.635 -5.361 -13.403 569 2HD LYS 72 2HD LYS 72 2.925 -4.378 -11.957 570 1HE LYS 72 1HE LYS 72 5.090 -5.327 -13.892 571 2HE LYS 72 2HE LYS 72 4.364 -3.713 -13.881 572 1HZ LYS 72 3HZ LYS 72 5.194 -3.407 -11.666 573 2HZ LYS 72 1HZ LYS 72 5.878 -4.906 -11.669 574 3HZ LYS 72 2HZ LYS 72 6.429 -3.755 -12.702 575 H ILE 73 H ILE 73 -0.512 -7.906 -10.495 576 HA ILE 73 HA ILE 73 -0.144 -10.594 -9.570 577 HB ILE 73 HB ILE 73 -2.710 -8.958 -9.657 578 1HG1 ILE 73 1HG1 ILE 73 -0.796 -9.526 -7.359 579 2HG1 ILE 73 2HG1 ILE 73 -0.785 -8.030 -8.289 580 1HG2 ILE 73 3HG2 ILE 73 -3.211 -11.391 -9.446 581 2HG2 ILE 73 1HG2 ILE 73 -2.075 -11.494 -8.084 582 3HG2 ILE 73 2HG2 ILE 73 -3.562 -10.538 -7.955 583 1HD1 ILE 73 3HD1 ILE 73 -3.212 -7.672 -7.626 584 2HD1 ILE 73 1HD1 ILE 73 -3.001 -9.005 -6.476 585 3HD1 ILE 73 2HD1 ILE 73 -2.011 -7.545 -6.332 586 H SER 74 H SER 74 -2.407 -9.347 -11.995 587 HA SER 74 HA SER 74 -2.045 -11.303 -13.959 588 1HB SER 74 1HB SER 74 -2.984 -13.002 -12.573 589 2HB SER 74 2HB SER 74 -4.245 -11.919 -11.969 590 HG SER 74 HG SER 74 -4.989 -13.418 -13.572 591 H GLN 75 H GLN 75 -4.992 -9.906 -12.527 592 HA GLN 75 HA GLN 75 -5.957 -9.034 -15.092 593 1HB GLN 75 1HB GLN 75 -6.949 -8.248 -12.309 594 2HB GLN 75 2HB GLN 75 -7.764 -7.969 -13.846 595 1HG GLN 75 1HG GLN 75 -8.824 -9.855 -12.996 596 2HG GLN 75 2HG GLN 75 -7.721 -10.498 -14.222 597 1HE2 GLN 75 1HE2 GLN 75 -7.338 -12.818 -11.425 598 2HE2 GLN 75 2HE2 GLN 75 -8.405 -12.486 -12.778 No H/Q in entry = 598 Start of MODEL 5 Raw file had 599 H/Q atoms Start of MODEL 5 1 1H LYS 1 1H LYS 1 -8.417 -10.727 -4.102 2 2H LYS 1 2H LYS 1 -7.212 -9.607 -4.450 3 3H LYS 1 3H LYS 1 -7.415 -10.162 -2.875 4 HA LYS 1 HA LYS 1 -9.564 -9.157 -2.749 5 1HB LYS 1 1HB LYS 1 -7.183 -7.446 -3.563 6 2HB LYS 1 2HB LYS 1 -8.714 -6.730 -3.088 7 1HG LYS 1 1HG LYS 1 -7.218 -6.698 -1.223 8 2HG LYS 1 2HG LYS 1 -8.589 -7.758 -0.858 9 1HD LYS 1 1HD LYS 1 -7.289 -9.713 -1.016 10 2HD LYS 1 2HD LYS 1 -6.064 -8.936 -2.015 11 1HE LYS 1 1HE LYS 1 -5.212 -9.368 0.270 12 2HE LYS 1 2HE LYS 1 -5.189 -7.656 -0.151 13 1HZ LYS 1 3HZ LYS 1 -7.223 -7.387 1.091 14 2HZ LYS 1 1HZ LYS 1 -7.222 -8.985 1.501 15 3HZ LYS 1 2HZ LYS 1 -6.019 -7.990 2.039 16 H SER 2 H SER 2 -11.292 -8.197 -3.819 17 HA SER 2 HA SER 2 -11.425 -8.255 -6.717 18 1HB SER 2 1HB SER 2 -13.656 -7.189 -6.319 19 2HB SER 2 2HB SER 2 -13.422 -8.614 -5.301 20 HG SER 2 HG SER 2 -13.116 -7.337 -3.564 21 HA PRO 3 HA PRO 3 -10.026 -4.052 -7.727 22 1HB PRO 3 1HB PRO 3 -12.841 -3.707 -8.789 23 2HB PRO 3 2HB PRO 3 -11.301 -3.138 -9.500 24 1HG PRO 3 1HG PRO 3 -12.416 -5.415 -10.436 25 2HG PRO 3 2HG PRO 3 -10.665 -5.397 -10.062 26 1HD PRO 3 1HD PRO 3 -12.923 -6.490 -8.379 27 2HD PRO 3 2HD PRO 3 -11.324 -7.211 -8.732 28 H GLU 4 H GLU 4 -13.317 -4.399 -6.334 29 HA GLU 4 HA GLU 4 -13.485 -1.801 -5.197 30 1HB GLU 4 1HB GLU 4 -14.802 -4.427 -4.351 31 2HB GLU 4 2HB GLU 4 -15.280 -2.815 -3.797 32 1HG GLU 4 1HG GLU 4 -15.835 -2.148 -6.110 33 2HG GLU 4 2HG GLU 4 -15.353 -3.741 -6.712 34 H GLU 5 H GLU 5 -12.207 -4.864 -3.929 35 HA GLU 5 HA GLU 5 -11.732 -3.790 -1.257 36 1HB GLU 5 1HB GLU 5 -10.804 -6.244 -2.747 37 2HB GLU 5 2HB GLU 5 -10.209 -5.852 -1.120 38 1HG GLU 5 1HG GLU 5 -12.398 -6.023 -0.164 39 2HG GLU 5 2HG GLU 5 -13.182 -6.067 -1.748 40 H LEU 6 H LEU 6 -9.809 -4.264 -4.212 41 HA LEU 6 HA LEU 6 -7.357 -3.243 -3.263 42 1HB LEU 6 1HB LEU 6 -8.616 -3.255 -6.034 43 2HB LEU 6 2HB LEU 6 -7.015 -2.662 -5.720 44 HG LEU 6 HG LEU 6 -7.728 -5.370 -4.631 45 1HD1 LEU 6 1HD1 LEU 6 -6.986 -4.902 -7.530 46 2HD1 LEU 6 2HD1 LEU 6 -6.889 -6.464 -6.677 47 3HD1 LEU 6 3HD1 LEU 6 -8.453 -5.668 -6.905 48 1HD2 LEU 6 1HD2 LEU 6 -5.507 -4.274 -4.123 49 2HD2 LEU 6 2HD2 LEU 6 -5.299 -5.756 -5.085 50 3HD2 LEU 6 3HD2 LEU 6 -5.181 -4.174 -5.861 51 H LYS 7 H LYS 7 -10.159 -1.466 -4.671 52 HA LYS 7 HA LYS 7 -8.985 1.103 -4.362 53 1HB LYS 7 1HB LYS 7 -11.059 0.607 -5.668 54 2HB LYS 7 2HB LYS 7 -11.929 0.298 -4.181 55 1HG LYS 7 1HG LYS 7 -12.464 2.491 -5.036 56 2HG LYS 7 2HG LYS 7 -11.697 2.616 -3.454 57 1HD LYS 7 1HD LYS 7 -9.551 3.264 -4.502 58 2HD LYS 7 2HD LYS 7 -10.250 3.037 -6.112 59 1HE LYS 7 1HE LYS 7 -11.216 5.080 -4.062 60 2HE LYS 7 2HE LYS 7 -10.106 5.416 -5.400 61 1HZ LYS 7 3HZ LYS 7 -11.818 4.736 -6.919 62 2HZ LYS 7 1HZ LYS 7 -12.867 4.469 -5.675 63 3HZ LYS 7 2HZ LYS 7 -12.318 5.992 -5.974 64 H GLY 8 H GLY 8 -11.120 -0.704 -2.188 65 1HA GLY 8 1HA GLY 8 -11.301 1.108 -0.041 66 2HA GLY 8 2HA GLY 8 -11.306 -0.657 0.144 67 H ILE 9 H ILE 9 -8.865 -1.395 -0.587 68 HA ILE 9 HA ILE 9 -7.091 -0.963 1.587 69 HB ILE 9 HB ILE 9 -6.802 -2.131 -1.178 70 1HG1 ILE 9 1HG1 ILE 9 -8.332 -3.075 0.764 71 2HG1 ILE 9 2HG1 ILE 9 -7.371 -4.148 -0.262 72 1HG2 ILE 9 1HG2 ILE 9 -4.771 -2.099 1.061 73 2HG2 ILE 9 2HG2 ILE 9 -4.738 -3.239 -0.301 74 3HG2 ILE 9 3HG2 ILE 9 -4.583 -1.506 -0.598 75 1HD1 ILE 9 1HD1 ILE 9 -6.475 -3.168 2.480 76 2HD1 ILE 9 2HD1 ILE 9 -7.348 -4.686 2.183 77 3HD1 ILE 9 3HD1 ILE 9 -5.752 -4.451 1.466 78 H PHE 10 H PHE 10 -6.928 0.184 -1.844 79 HA PHE 10 HA PHE 10 -4.653 1.762 -1.703 80 1HB PHE 10 1HB PHE 10 -5.976 1.260 -3.770 81 2HB PHE 10 2HB PHE 10 -7.247 2.297 -3.211 82 HD1 PHE 10 HD1 PHE 10 -7.033 4.745 -3.094 83 HD2 PHE 10 HD2 PHE 10 -3.871 2.238 -4.633 84 HE1 PHE 10 HE1 PHE 10 -5.983 6.700 -4.137 85 HE2 PHE 10 HE2 PHE 10 -2.740 4.264 -5.552 86 HZ PHE 10 HZ PHE 10 -3.780 6.484 -5.256 87 H GLU 11 H GLU 11 -8.023 2.698 -0.934 88 HA GLU 11 HA GLU 11 -7.422 5.392 -0.177 89 1HB GLU 11 1HB GLU 11 -9.757 3.560 0.506 90 2HB GLU 11 2HB GLU 11 -9.679 5.274 0.945 91 1HG GLU 11 1HG GLU 11 -9.514 5.939 -1.400 92 2HG GLU 11 2HG GLU 11 -9.471 4.253 -1.927 93 H LYS 12 H LYS 12 -7.944 2.430 1.802 94 HA LYS 12 HA LYS 12 -7.603 3.395 4.375 95 1HB LYS 12 1HB LYS 12 -8.195 1.137 4.103 96 2HB LYS 12 2HB LYS 12 -6.840 0.793 3.031 97 1HG LYS 12 1HG LYS 12 -5.230 0.879 4.798 98 2HG LYS 12 2HG LYS 12 -6.482 1.373 5.976 99 1HD LYS 12 1HD LYS 12 -7.663 -0.803 5.526 100 2HD LYS 12 2HD LYS 12 -6.378 -1.238 4.384 101 1HE LYS 12 1HE LYS 12 -4.713 -1.004 6.301 102 2HE LYS 12 2HE LYS 12 -6.089 -0.775 7.389 103 1HZ LYS 12 3HZ LYS 12 -6.880 -2.941 6.707 104 2HZ LYS 12 1HZ LYS 12 -5.562 -3.155 5.737 105 3HZ LYS 12 2HZ LYS 12 -5.373 -3.028 7.366 106 H TYR 13 H TYR 13 -4.979 2.365 2.145 107 HA TYR 13 HA TYR 13 -2.936 3.128 4.106 108 1HB TYR 13 1HB TYR 13 -2.848 2.085 1.298 109 2HB TYR 13 2HB TYR 13 -1.401 2.569 2.182 110 HD1 TYR 13 HD1 TYR 13 -0.877 1.560 4.391 111 HD2 TYR 13 HD2 TYR 13 -4.083 0.033 2.038 112 HE1 TYR 13 HE1 TYR 13 -0.887 -0.544 5.752 113 HE2 TYR 13 HE2 TYR 13 -4.167 -1.995 3.349 114 HH TYR 13 HH TYR 13 -3.227 -3.173 5.163 115 H ALA 14 H ALA 14 -4.102 4.509 1.028 116 HA ALA 14 HA ALA 14 -2.276 6.684 0.869 117 1HB ALA 14 3HB ALA 14 -3.730 5.985 -1.002 118 2HB ALA 14 1HB ALA 14 -5.155 6.513 -0.087 119 3HB ALA 14 2HB ALA 14 -3.945 7.700 -0.629 120 H ALA 15 H ALA 15 -5.382 6.455 2.538 121 HA ALA 15 HA ALA 15 -5.818 9.051 3.361 122 1HB ALA 15 1HB ALA 15 -6.171 6.511 5.005 123 2HB ALA 15 2HB ALA 15 -6.929 8.078 5.348 124 3HB ALA 15 3HB ALA 15 -7.349 7.203 3.864 125 H LYS 16 H LYS 16 -3.325 6.821 4.650 126 HA LYS 16 HA LYS 16 -2.774 8.278 7.037 127 1HB LYS 16 1HB LYS 16 -0.899 6.588 5.349 128 2HB LYS 16 2HB LYS 16 -0.647 7.071 7.037 129 1HG LYS 16 1HG LYS 16 -2.814 5.881 7.623 130 2HG LYS 16 2HG LYS 16 -2.848 5.227 5.983 131 1HD LYS 16 1HD LYS 16 -0.702 4.762 8.100 132 2HD LYS 16 2HD LYS 16 -1.894 3.597 7.493 133 1HE LYS 16 1HE LYS 16 -0.845 3.881 5.179 134 2HE LYS 16 2HE LYS 16 0.445 4.820 5.952 135 1HZ LYS 16 3HZ LYS 16 0.936 2.935 7.313 136 2HZ LYS 16 1HZ LYS 16 -0.250 2.047 6.592 137 3HZ LYS 16 2HZ LYS 16 1.051 2.549 5.716 138 H GLU 17 H GLU 17 -1.837 8.825 3.679 139 HA GLU 17 HA GLU 17 0.277 10.734 4.244 140 1HB GLU 17 1HB GLU 17 -0.085 9.302 2.135 141 2HB GLU 17 2HB GLU 17 -1.408 10.391 1.726 142 1HG GLU 17 1HG GLU 17 0.655 10.977 0.522 143 2HG GLU 17 2HG GLU 17 0.160 12.292 1.587 144 H GLY 18 H GLY 18 -3.190 10.780 4.218 145 1HA GLY 18 1HA GLY 18 -4.436 12.685 4.986 146 2HA GLY 18 2HA GLY 18 -3.328 13.775 4.138 147 H ASP 19 H ASP 19 -2.995 12.625 1.692 148 HA ASP 19 HA ASP 19 -5.559 13.164 0.434 149 1HB ASP 19 1HB ASP 19 -3.553 14.075 -0.553 150 2HB ASP 19 2HB ASP 19 -2.857 12.455 -0.737 151 HA PRO 20 HA PRO 20 -6.330 8.617 0.498 152 1HB PRO 20 1HB PRO 20 -8.802 8.677 -0.713 153 2HB PRO 20 2HB PRO 20 -8.543 8.961 1.044 154 1HG PRO 20 1HG PRO 20 -8.898 10.963 -1.197 155 2HG PRO 20 2HG PRO 20 -9.653 10.989 0.423 156 1HD PRO 20 1HD PRO 20 -7.497 12.490 -0.165 157 2HD PRO 20 2HD PRO 20 -7.644 11.709 1.437 158 H ASN 21 H ASN 21 -6.366 10.831 -2.229 159 HA ASN 21 HA ASN 21 -6.976 8.874 -4.242 160 1HB ASN 21 1HB ASN 21 -5.849 11.679 -4.498 161 2HB ASN 21 2HB ASN 21 -6.581 10.719 -5.776 162 1HD2 ASN 21 1HD2 ASN 21 -9.007 12.758 -3.233 163 2HD2 ASN 21 2HD2 ASN 21 -7.258 12.756 -3.010 164 H GLN 22 H GLN 22 -4.019 9.342 -2.587 165 HA GLN 22 HA GLN 22 -2.445 8.257 -4.847 166 1HB GLN 22 1HB GLN 22 -2.635 10.662 -5.230 167 2HB GLN 22 2HB GLN 22 -2.035 10.990 -3.601 168 1HG GLN 22 1HG GLN 22 0.139 10.159 -4.177 169 2HG GLN 22 2HG GLN 22 -0.457 9.409 -5.677 170 1HE2 GLN 22 1HE2 GLN 22 0.563 12.280 -7.465 171 2HE2 GLN 22 2HE2 GLN 22 0.630 10.540 -7.331 172 H LEU 23 H LEU 23 -0.879 6.865 -4.178 173 HA LEU 23 HA LEU 23 -0.225 6.718 -1.299 174 1HB LEU 23 1HB LEU 23 0.294 4.812 -3.592 175 2HB LEU 23 2HB LEU 23 0.731 4.605 -1.918 176 HG LEU 23 HG LEU 23 -2.180 4.967 -2.639 177 1HD1 LEU 23 1HD1 LEU 23 -0.550 2.399 -2.591 178 2HD1 LEU 23 2HD1 LEU 23 -2.315 2.490 -2.732 179 3HD1 LEU 23 3HD1 LEU 23 -1.280 3.124 -4.036 180 1HD2 LEU 23 1HD2 LEU 23 -1.359 5.030 -0.221 181 2HD2 LEU 23 2HD2 LEU 23 -2.492 3.705 -0.566 182 3HD2 LEU 23 3HD2 LEU 23 -0.754 3.383 -0.432 183 H SER 24 H SER 24 1.688 7.598 -0.656 184 HA SER 24 HA SER 24 3.978 7.743 -2.487 185 1HB SER 24 1HB SER 24 4.580 8.410 0.276 186 2HB SER 24 2HB SER 24 4.792 9.360 -1.197 187 HG SER 24 HG SER 24 2.525 9.142 0.494 188 H LYS 25 H LYS 25 6.110 6.912 -1.454 189 HA LYS 25 HA LYS 25 6.028 4.230 -1.859 190 1HB LYS 25 1HB LYS 25 8.091 5.856 -0.283 191 2HB LYS 25 2HB LYS 25 8.343 4.175 -0.773 192 1HG LYS 25 1HG LYS 25 8.108 4.773 -3.134 193 2HG LYS 25 2HG LYS 25 7.864 6.479 -2.703 194 1HD LYS 25 1HD LYS 25 10.118 6.529 -1.661 195 2HD LYS 25 2HD LYS 25 10.357 4.822 -2.094 196 1HE LYS 25 1HE LYS 25 10.114 5.386 -4.499 197 2HE LYS 25 2HE LYS 25 9.845 7.088 -4.081 198 1HZ LYS 25 3HZ LYS 25 12.042 7.131 -3.136 199 2HZ LYS 25 1HZ LYS 25 12.296 5.555 -3.552 200 3HZ LYS 25 2HZ LYS 25 12.088 6.693 -4.723 201 H GLU 26 H GLU 26 6.167 5.709 1.424 202 HA GLU 26 HA GLU 26 6.480 3.200 2.708 203 1HB GLU 26 1HB GLU 26 6.944 5.534 3.667 204 2HB GLU 26 2HB GLU 26 5.199 5.695 3.910 205 1HG GLU 26 1HG GLU 26 6.236 4.974 5.948 206 2HG GLU 26 2HG GLU 26 5.240 3.647 5.359 207 H GLU 27 H GLU 27 3.573 5.103 2.092 208 HA GLU 27 HA GLU 27 1.677 3.327 3.207 209 1HB GLU 27 1HB GLU 27 1.251 4.934 0.653 210 2HB GLU 27 2HB GLU 27 0.042 4.287 1.760 211 1HG GLU 27 1HG GLU 27 0.097 6.425 2.559 212 2HG GLU 27 2HG GLU 27 1.381 5.759 3.574 213 H LEU 28 H LEU 28 2.996 3.369 -0.205 214 HA LEU 28 HA LEU 28 1.791 0.899 -0.927 215 1HB LEU 28 1HB LEU 28 4.327 2.278 -1.833 216 2HB LEU 28 2HB LEU 28 3.883 0.696 -2.485 217 HG LEU 28 HG LEU 28 1.811 2.822 -2.334 218 1HD1 LEU 28 3HD1 LEU 28 3.747 3.933 -3.329 219 2HD1 LEU 28 1HD1 LEU 28 3.853 2.628 -4.554 220 3HD1 LEU 28 2HD1 LEU 28 2.440 3.717 -4.499 221 1HD2 LEU 28 3HD2 LEU 28 2.381 0.604 -4.369 222 2HD2 LEU 28 1HD2 LEU 28 1.149 0.533 -3.096 223 3HD2 LEU 28 2HD2 LEU 28 0.986 1.696 -4.423 224 H LYS 29 H LYS 29 4.826 1.416 0.835 225 HA LYS 29 HA LYS 29 5.624 -1.322 0.615 226 1HB LYS 29 1HB LYS 29 7.013 0.686 1.408 227 2HB LYS 29 2HB LYS 29 6.124 0.662 2.906 228 1HG LYS 29 1HG LYS 29 6.932 -1.711 3.301 229 2HG LYS 29 2HG LYS 29 7.957 -1.538 1.862 230 1HD LYS 29 1HD LYS 29 9.046 0.463 2.935 231 2HD LYS 29 2HD LYS 29 8.042 0.229 4.369 232 1HE LYS 29 1HE LYS 29 10.060 -1.793 3.277 233 2HE LYS 29 2HE LYS 29 10.327 -0.700 4.643 234 1HZ LYS 29 3HZ LYS 29 8.508 -1.760 5.776 235 2HZ LYS 29 1HZ LYS 29 8.291 -2.811 4.525 236 3HZ LYS 29 2HZ LYS 29 9.691 -2.842 5.395 237 H LEU 30 H LEU 30 3.929 0.389 3.215 238 HA LEU 30 HA LEU 30 3.448 -2.008 4.734 239 1HB LEU 30 1HB LEU 30 2.311 0.791 4.806 240 2HB LEU 30 2HB LEU 30 1.489 -0.499 5.691 241 HG LEU 30 HG LEU 30 3.467 -1.060 6.959 242 1HD1 LEU 30 1HD1 LEU 30 4.865 1.168 5.423 243 2HD1 LEU 30 2HD1 LEU 30 5.500 0.389 6.885 244 3HD1 LEU 30 3HD1 LEU 30 5.295 -0.558 5.412 245 1HD2 LEU 30 1HD2 LEU 30 1.956 0.729 7.785 246 2HD2 LEU 30 2HD2 LEU 30 3.627 0.951 8.329 247 3HD2 LEU 30 3HD2 LEU 30 2.998 1.945 7.001 248 H LEU 31 H LEU 31 1.445 -0.370 2.319 249 HA LEU 31 HA LEU 31 -0.784 -2.083 2.328 250 1HB LEU 31 1HB LEU 31 -0.528 0.011 1.050 251 2HB LEU 31 2HB LEU 31 0.570 -0.781 -0.070 252 HG LEU 31 HG LEU 31 -2.283 -1.716 0.370 253 1HD1 LEU 31 1HD1 LEU 31 -1.191 0.293 -1.652 254 2HD1 LEU 31 2HD1 LEU 31 -2.830 -0.379 -1.691 255 3HD1 LEU 31 3HD1 LEU 31 -2.332 0.648 -0.342 256 1HD2 LEU 31 3HD2 LEU 31 -0.299 -2.077 -1.939 257 2HD2 LEU 31 1HD2 LEU 31 -0.901 -3.348 -0.859 258 3HD2 LEU 31 2HD2 LEU 31 -2.002 -2.571 -1.988 259 H LEU 32 H LEU 32 2.190 -2.360 0.395 260 HA LEU 32 HA LEU 32 1.624 -4.861 -0.819 261 1HB LEU 32 1HB LEU 32 4.239 -3.496 -0.069 262 2HB LEU 32 2HB LEU 32 4.211 -5.035 -0.922 263 HG LEU 32 HG LEU 32 2.687 -2.650 -2.028 264 1HD1 LEU 32 3HD1 LEU 32 5.042 -1.918 -1.668 265 2HD1 LEU 32 1HD1 LEU 32 5.614 -3.357 -2.530 266 3HD1 LEU 32 2HD1 LEU 32 4.670 -2.112 -3.383 267 1HD2 LEU 32 3HD2 LEU 32 3.994 -5.091 -3.294 268 2HD2 LEU 32 1HD2 LEU 32 2.250 -4.894 -3.010 269 3HD2 LEU 32 2HD2 LEU 32 3.089 -3.831 -4.153 270 H GLN 33 H GLN 33 3.713 -4.242 2.035 271 HA GLN 33 HA GLN 33 4.270 -6.922 2.563 272 1HB GLN 33 1HB GLN 33 5.506 -4.972 3.431 273 2HB GLN 33 2HB GLN 33 4.159 -4.580 4.515 274 1HG GLN 33 1HG GLN 33 4.472 -6.660 5.749 275 2HG GLN 33 2HG GLN 33 5.671 -7.233 4.580 276 1HE2 GLN 33 1HE2 GLN 33 8.295 -5.107 5.821 277 2HE2 GLN 33 2HE2 GLN 33 7.696 -5.840 4.341 278 H THR 34 H THR 34 1.643 -4.911 3.851 279 HA THR 34 HA THR 34 0.776 -6.981 5.690 280 HB THR 34 HB THR 34 -0.699 -4.453 4.867 281 HG1 THR 34 HG1 THR 34 1.254 -3.832 5.568 282 1HG2 THR 34 1HG2 THR 34 -0.781 -6.145 7.406 283 2HG2 THR 34 2HG2 THR 34 -1.636 -4.611 7.150 284 3HG2 THR 34 3HG2 THR 34 -2.076 -6.036 6.192 285 H GLU 35 H GLU 35 -0.525 -5.696 2.537 286 HA GLU 35 HA GLU 35 -2.810 -7.523 2.790 287 1HB GLU 35 1HB GLU 35 -2.220 -5.280 0.826 288 2HB GLU 35 2HB GLU 35 -3.746 -6.111 1.057 289 1HG GLU 35 1HG GLU 35 -2.312 -4.357 3.118 290 2HG GLU 35 2HG GLU 35 -3.632 -3.861 2.085 291 H PHE 36 H PHE 36 0.112 -7.127 0.848 292 HA PHE 36 HA PHE 36 -0.622 -9.555 -0.717 293 1HB PHE 36 1HB PHE 36 0.438 -6.990 -1.937 294 2HB PHE 36 2HB PHE 36 0.099 -8.490 -2.779 295 HD1 PHE 36 HD1 PHE 36 -2.279 -9.153 -3.275 296 HD2 PHE 36 HD2 PHE 36 -1.276 -5.451 -1.337 297 HE1 PHE 36 HE1 PHE 36 -4.571 -8.263 -3.757 298 HE2 PHE 36 HE2 PHE 36 -3.603 -4.637 -1.677 299 HZ PHE 36 HZ PHE 36 -5.288 -6.131 -2.723 300 HA PRO 37 HA PRO 37 3.661 -9.037 1.207 301 1HB PRO 37 1HB PRO 37 3.877 -11.628 2.232 302 2HB PRO 37 2HB PRO 37 3.243 -10.213 3.109 303 1HG PRO 37 1HG PRO 37 1.679 -12.337 1.642 304 2HG PRO 37 2HG PRO 37 1.344 -11.635 3.253 305 1HD PRO 37 1HD PRO 37 0.008 -10.810 1.060 306 2HD PRO 37 2HD PRO 37 0.514 -9.609 2.271 307 H SER 38 H SER 38 2.216 -11.475 -0.911 308 HA SER 38 HA SER 38 4.462 -12.876 -1.810 309 1HB SER 38 1HB SER 38 2.076 -12.074 -3.518 310 2HB SER 38 2HB SER 38 2.983 -13.596 -3.527 311 HG SER 38 HG SER 38 2.112 -13.989 -1.421 312 H LEU 39 H LEU 39 3.020 -9.759 -2.776 313 HA LEU 39 HA LEU 39 4.575 -9.395 -5.182 314 1HB LEU 39 1HB LEU 39 2.939 -7.620 -3.372 315 2HB LEU 39 2HB LEU 39 3.725 -6.995 -4.840 316 HG LEU 39 HG LEU 39 1.584 -9.154 -4.729 317 1HD1 LEU 39 3HD1 LEU 39 0.861 -6.764 -4.267 318 2HD1 LEU 39 1HD1 LEU 39 1.543 -6.305 -5.832 319 3HD1 LEU 39 2HD1 LEU 39 0.165 -7.421 -5.755 320 1HD2 LEU 39 3HD2 LEU 39 3.036 -7.918 -7.110 321 2HD2 LEU 39 1HD2 LEU 39 2.970 -9.639 -6.669 322 3HD2 LEU 39 2HD2 LEU 39 1.515 -8.824 -7.238 323 H LEU 40 H LEU 40 5.261 -8.928 -1.782 324 HA LEU 40 HA LEU 40 7.311 -6.929 -2.215 325 1HB LEU 40 1HB LEU 40 6.097 -7.436 0.001 326 2HB LEU 40 2HB LEU 40 7.076 -8.906 0.085 327 HG LEU 40 HG LEU 40 9.149 -7.501 0.105 328 1HD1 LEU 40 1HD1 LEU 40 7.146 -5.195 0.282 329 2HD1 LEU 40 2HD1 LEU 40 8.875 -5.068 0.668 330 3HD1 LEU 40 3HD1 LEU 40 8.375 -5.435 -0.982 331 1HD2 LEU 40 1HD2 LEU 40 8.101 -8.322 2.185 332 2HD2 LEU 40 2HD2 LEU 40 8.852 -6.735 2.428 333 3HD2 LEU 40 3HD2 LEU 40 7.086 -6.866 2.256 334 H LYS 41 H LYS 41 7.159 -10.421 -2.633 335 HA LYS 41 HA LYS 41 10.070 -10.492 -3.127 336 1HB LYS 41 1HB LYS 41 8.052 -12.704 -3.532 337 2HB LYS 41 2HB LYS 41 9.793 -12.771 -3.441 338 1HG LYS 41 1HG LYS 41 9.509 -13.440 -1.298 339 2HG LYS 41 2HG LYS 41 9.295 -11.718 -0.971 340 1HD LYS 41 1HD LYS 41 6.772 -12.123 -1.422 341 2HD LYS 41 2HD LYS 41 7.154 -13.846 -1.469 342 1HE LYS 41 1HE LYS 41 6.365 -13.374 0.733 343 2HE LYS 41 2HE LYS 41 8.121 -13.561 0.896 344 1HZ LYS 41 1HZ LYS 41 6.637 -11.030 0.670 345 2HZ LYS 41 2HZ LYS 41 7.274 -11.644 2.065 346 3HZ LYS 41 3HZ LYS 41 8.273 -11.154 0.848 347 H GLY 42 H GLY 42 10.665 -10.989 -5.266 348 1HA GLY 42 1HA GLY 42 10.514 -11.124 -7.596 349 2HA GLY 42 2HA GLY 42 8.754 -11.170 -7.462 350 H GLY 43 H GLY 43 8.259 -8.694 -6.160 351 1HA GLY 43 1HA GLY 43 8.403 -6.783 -8.273 352 2HA GLY 43 2HA GLY 43 7.905 -6.499 -6.601 353 H SER 44 H SER 44 10.847 -7.126 -8.491 354 HA SER 44 HA SER 44 13.005 -6.458 -8.272 355 1HB SER 44 1HB SER 44 13.064 -4.190 -9.198 356 2HB SER 44 2HB SER 44 11.847 -5.203 -9.970 357 HG SER 44 HG SER 44 10.778 -3.335 -9.544 358 H THR 45 H THR 45 11.803 -3.469 -6.931 359 HA THR 45 HA THR 45 12.763 -3.987 -4.244 360 HB THR 45 HB THR 45 14.087 -1.910 -4.063 361 HG1 THR 45 HG1 THR 45 14.016 -1.782 -6.875 362 1HG2 THR 45 3HG2 THR 45 15.320 -4.013 -4.556 363 2HG2 THR 45 1HG2 THR 45 15.245 -3.643 -6.291 364 3HG2 THR 45 2HG2 THR 45 16.132 -2.569 -5.193 365 H LEU 46 H LEU 46 11.892 -2.065 -2.854 366 HA LEU 46 HA LEU 46 9.272 -1.394 -3.663 367 1HB LEU 46 1HB LEU 46 10.017 -1.297 -1.299 368 2HB LEU 46 2HB LEU 46 11.196 -0.042 -1.706 369 HG LEU 46 HG LEU 46 9.341 1.532 -2.256 370 1HD1 LEU 46 1HD1 LEU 46 7.560 -0.711 -1.183 371 2HD1 LEU 46 2HD1 LEU 46 7.037 0.957 -1.490 372 3HD1 LEU 46 3HD1 LEU 46 7.542 -0.066 -2.840 373 1HD2 LEU 46 3HD2 LEU 46 9.271 0.274 0.508 374 2HD2 LEU 46 1HD2 LEU 46 10.387 1.538 -0.050 375 3HD2 LEU 46 2HD2 LEU 46 8.656 1.891 0.092 376 H ASP 47 H ASP 47 12.264 0.499 -3.919 377 HA ASP 47 HA ASP 47 11.103 2.797 -5.060 378 1HB ASP 47 1HB ASP 47 13.910 1.638 -5.423 379 2HB ASP 47 2HB ASP 47 13.417 3.292 -5.791 380 H GLU 48 H GLU 48 12.699 0.048 -6.681 381 HA GLU 48 HA GLU 48 12.102 0.992 -9.314 382 1HB GLU 48 1HB GLU 48 12.587 -1.819 -8.292 383 2HB GLU 48 2HB GLU 48 12.413 -1.423 -10.003 384 1HG GLU 48 1HG GLU 48 14.546 -0.159 -8.211 385 2HG GLU 48 2HG GLU 48 14.811 -1.564 -9.257 386 H LEU 49 H LEU 49 10.209 -1.081 -7.110 387 HA LEU 49 HA LEU 49 8.175 -1.655 -8.996 388 1HB LEU 49 1HB LEU 49 8.482 -2.946 -6.956 389 2HB LEU 49 2HB LEU 49 8.072 -1.538 -5.965 390 HG LEU 49 HG LEU 49 5.769 -1.559 -6.802 391 1HD1 LEU 49 1HD1 LEU 49 6.665 -3.948 -8.481 392 2HD1 LEU 49 2HD1 LEU 49 4.973 -3.493 -8.194 393 3HD1 LEU 49 3HD1 LEU 49 6.031 -2.400 -9.088 394 1HD2 LEU 49 1HD2 LEU 49 6.429 -2.955 -4.854 395 2HD2 LEU 49 2HD2 LEU 49 5.062 -3.653 -5.746 396 3HD2 LEU 49 3HD2 LEU 49 6.692 -4.334 -5.936 397 H PHE 50 H PHE 50 8.517 0.916 -6.575 398 HA PHE 50 HA PHE 50 6.088 2.296 -6.965 399 1HB PHE 50 1HB PHE 50 7.736 2.711 -5.168 400 2HB PHE 50 2HB PHE 50 8.875 3.364 -6.325 401 HD1 PHE 50 HD1 PHE 50 5.698 3.943 -4.585 402 HD2 PHE 50 HD2 PHE 50 8.705 5.655 -7.137 403 HE1 PHE 50 HE1 PHE 50 4.970 6.198 -3.905 404 HE2 PHE 50 HE2 PHE 50 8.072 7.923 -6.355 405 HZ PHE 50 HZ PHE 50 6.243 8.209 -4.711 406 H GLU 51 H GLU 51 9.230 2.710 -8.651 407 HA GLU 51 HA GLU 51 8.283 4.679 -10.490 408 1HB GLU 51 1HB GLU 51 10.537 2.629 -10.688 409 2HB GLU 51 2HB GLU 51 10.331 3.973 -11.818 410 1HG GLU 51 1HG GLU 51 10.786 5.615 -10.147 411 2HG GLU 51 2HG GLU 51 10.614 4.467 -8.820 412 H GLU 52 H GLU 52 8.453 1.144 -10.746 413 HA GLU 52 HA GLU 52 7.460 0.918 -13.407 414 1HB GLU 52 1HB GLU 52 7.207 -0.960 -11.036 415 2HB GLU 52 2HB GLU 52 6.669 -1.372 -12.662 416 1HG GLU 52 1HG GLU 52 8.862 -1.337 -13.555 417 2HG GLU 52 2HG GLU 52 9.537 -0.495 -12.165 418 H LEU 53 H LEU 53 5.734 1.242 -10.309 419 HA LEU 53 HA LEU 53 3.103 1.013 -11.454 420 1HB LEU 53 1HB LEU 53 4.089 2.245 -8.863 421 2HB LEU 53 2HB LEU 53 2.402 2.052 -9.315 422 HG LEU 53 HG LEU 53 4.348 -0.264 -8.962 423 1HD1 LEU 53 3HD1 LEU 53 3.889 0.935 -6.849 424 2HD1 LEU 53 1HD1 LEU 53 2.142 0.763 -7.138 425 3HD1 LEU 53 2HD1 LEU 53 3.150 -0.676 -6.865 426 1HD2 LEU 53 3HD2 LEU 53 1.348 -0.233 -9.414 427 2HD2 LEU 53 1HD2 LEU 53 2.604 -0.913 -10.481 428 3HD2 LEU 53 2HD2 LEU 53 2.311 -1.648 -8.914 429 H ASP 54 H ASP 54 4.823 3.925 -10.242 430 HA ASP 54 HA ASP 54 3.030 5.571 -11.975 431 1HB ASP 54 1HB ASP 54 3.321 6.256 -9.623 432 2HB ASP 54 2HB ASP 54 5.056 6.445 -9.916 433 H LYS 55 H LYS 55 4.084 4.409 -13.784 434 HA LYS 55 HA LYS 55 6.820 5.191 -14.363 435 1HB LYS 55 1HB LYS 55 5.728 3.013 -15.041 436 2HB LYS 55 2HB LYS 55 4.802 3.921 -16.243 437 1HG LYS 55 1HG LYS 55 6.744 2.838 -17.215 438 2HG LYS 55 2HG LYS 55 6.922 4.593 -17.361 439 1HD LYS 55 1HD LYS 55 8.553 4.638 -15.557 440 2HD LYS 55 2HD LYS 55 8.187 2.959 -15.107 441 1HE LYS 55 1HE LYS 55 9.107 2.190 -17.287 442 2HE LYS 55 2HE LYS 55 9.430 3.875 -17.745 443 1HZ LYS 55 3HZ LYS 55 10.921 4.027 -15.888 444 2HZ LYS 55 1HZ LYS 55 10.619 2.464 -15.460 445 3HZ LYS 55 2HZ LYS 55 11.370 2.797 -16.889 446 H ASN 56 H ASN 56 3.651 6.443 -15.173 447 HA ASN 56 HA ASN 56 4.901 8.639 -16.765 448 1HB ASN 56 1HB ASN 56 3.241 8.330 -18.471 449 2HB ASN 56 2HB ASN 56 4.056 6.782 -18.229 450 1HD2 ASN 56 1HD2 ASN 56 0.250 6.395 -18.332 451 2HD2 ASN 56 2HD2 ASN 56 1.354 7.279 -19.374 452 H GLY 57 H GLY 57 3.825 8.624 -13.907 453 1HA GLY 57 1HA GLY 57 1.575 10.579 -14.333 454 2HA GLY 57 2HA GLY 57 1.868 9.632 -12.879 455 H ASP 58 H ASP 58 3.308 10.359 -11.401 456 HA ASP 58 HA ASP 58 4.858 12.842 -11.874 457 1HB ASP 58 1HB ASP 58 3.887 13.645 -9.835 458 2HB ASP 58 2HB ASP 58 2.610 13.305 -11.016 459 H GLY 59 H GLY 59 4.226 10.052 -9.710 460 1HA GLY 59 1HA GLY 59 6.710 9.130 -9.138 461 2HA GLY 59 2HA GLY 59 6.550 10.528 -8.046 462 H GLU 60 H GLU 60 4.106 10.643 -7.128 463 HA GLU 60 HA GLU 60 3.916 8.205 -5.492 464 1HB GLU 60 1HB GLU 60 2.421 10.845 -5.368 465 2HB GLU 60 2HB GLU 60 2.232 9.469 -4.252 466 1HG GLU 60 1HG GLU 60 3.670 11.116 -3.230 467 2HG GLU 60 2HG GLU 60 4.594 9.654 -3.586 468 H VAL 61 H VAL 61 2.278 6.721 -5.582 469 HA VAL 61 HA VAL 61 1.236 6.468 -8.290 470 HB VAL 61 HB VAL 61 0.972 4.549 -5.963 471 1HG1 VAL 61 3HG1 VAL 61 -0.437 4.121 -7.999 472 2HG1 VAL 61 1HG1 VAL 61 1.053 4.006 -8.955 473 3HG1 VAL 61 2HG1 VAL 61 0.738 2.845 -7.649 474 1HG2 VAL 61 3HG2 VAL 61 3.221 4.726 -8.029 475 2HG2 VAL 61 1HG2 VAL 61 3.397 5.049 -6.298 476 3HG2 VAL 61 2HG2 VAL 61 2.995 3.425 -6.860 477 H SER 62 H SER 62 -0.660 7.511 -8.784 478 HA SER 62 HA SER 62 -2.875 7.596 -6.880 479 1HB SER 62 1HB SER 62 -2.452 9.445 -8.484 480 2HB SER 62 2HB SER 62 -2.987 8.367 -9.793 481 HG SER 62 HG SER 62 -4.473 9.085 -7.448 482 H PHE 63 H PHE 63 -5.111 6.908 -7.901 483 HA PHE 63 HA PHE 63 -5.004 4.102 -7.560 484 1HB PHE 63 1HB PHE 63 -6.899 5.479 -6.831 485 2HB PHE 63 2HB PHE 63 -7.367 5.744 -8.514 486 HD1 PHE 63 HD1 PHE 63 -6.606 2.943 -6.097 487 HD2 PHE 63 HD2 PHE 63 -8.945 4.223 -9.489 488 HE1 PHE 63 HE1 PHE 63 -7.718 0.744 -6.159 489 HE2 PHE 63 HE2 PHE 63 -10.145 2.054 -9.462 490 HZ PHE 63 HZ PHE 63 -9.569 0.326 -7.753 491 H GLU 64 H GLU 64 -5.394 5.982 -10.547 492 HA GLU 64 HA GLU 64 -6.137 3.745 -12.179 493 1HB GLU 64 1HB GLU 64 -4.874 6.440 -12.884 494 2HB GLU 64 2HB GLU 64 -5.413 5.246 -14.068 495 1HG GLU 64 1HG GLU 64 -7.137 6.941 -13.763 496 2HG GLU 64 2HG GLU 64 -7.717 5.360 -13.226 497 H GLU 65 H GLU 65 -2.988 5.451 -11.898 498 HA GLU 65 HA GLU 65 -1.508 3.473 -13.307 499 1HB GLU 65 1HB GLU 65 0.492 4.559 -12.305 500 2HB GLU 65 2HB GLU 65 -0.623 5.620 -13.166 501 1HG GLU 65 1HG GLU 65 -1.601 6.316 -10.910 502 2HG GLU 65 2HG GLU 65 -0.311 5.385 -10.151 503 H PHE 66 H PHE 66 -2.332 3.680 -9.823 504 HA PHE 66 HA PHE 66 -0.874 1.481 -8.864 505 1HB PHE 66 1HB PHE 66 -2.096 2.780 -7.319 506 2HB PHE 66 2HB PHE 66 -3.546 2.647 -8.289 507 HD1 PHE 66 HD1 PHE 66 -1.379 0.623 -5.987 508 HD2 PHE 66 HD2 PHE 66 -5.186 1.093 -7.924 509 HE1 PHE 66 HE1 PHE 66 -2.340 -1.176 -4.563 510 HE2 PHE 66 HE2 PHE 66 -6.066 -0.883 -6.733 511 HZ PHE 66 HZ PHE 66 -4.679 -1.928 -4.913 512 H GLN 67 H GLN 67 -3.680 1.406 -11.102 513 HA GLN 67 HA GLN 67 -4.263 -1.347 -10.759 514 1HB GLN 67 1HB GLN 67 -4.373 0.166 -13.394 515 2HB GLN 67 2HB GLN 67 -5.131 -1.380 -13.020 516 1HG GLN 67 1HG GLN 67 -5.900 1.334 -11.918 517 2HG GLN 67 2HG GLN 67 -6.855 0.230 -12.895 518 1HE2 GLN 67 1HE2 GLN 67 -7.052 0.059 -8.885 519 2HE2 GLN 67 2HE2 GLN 67 -6.332 1.378 -9.792 520 H VAL 68 H VAL 68 -1.356 0.049 -12.156 521 HA VAL 68 HA VAL 68 -0.470 -2.205 -13.638 522 HB VAL 68 HB VAL 68 1.071 -0.150 -12.050 523 1HG1 VAL 68 1HG1 VAL 68 2.051 -2.142 -14.156 524 2HG1 VAL 68 2HG1 VAL 68 3.001 -0.781 -13.528 525 3HG1 VAL 68 3HG1 VAL 68 2.546 -2.104 -12.453 526 1HG2 VAL 68 1HG2 VAL 68 -0.315 0.743 -13.975 527 2HG2 VAL 68 2HG2 VAL 68 1.423 0.918 -14.239 528 3HG2 VAL 68 3HG2 VAL 68 0.525 -0.381 -15.050 529 H LEU 69 H LEU 69 -0.739 -1.669 -10.154 530 HA LEU 69 HA LEU 69 0.912 -3.893 -9.336 531 1HB LEU 69 1HB LEU 69 0.261 -1.950 -7.910 532 2HB LEU 69 2HB LEU 69 -1.406 -2.510 -7.892 533 HG LEU 69 HG LEU 69 0.678 -4.480 -7.021 534 1HD1 LEU 69 1HD1 LEU 69 -0.151 -2.066 -5.355 535 2HD1 LEU 69 2HD1 LEU 69 0.694 -3.497 -4.729 536 3HD1 LEU 69 3HD1 LEU 69 1.487 -2.455 -5.924 537 1HD2 LEU 69 1HD2 LEU 69 -1.767 -5.045 -6.989 538 2HD2 LEU 69 2HD2 LEU 69 -1.075 -5.041 -5.361 539 3HD2 LEU 69 3HD2 LEU 69 -2.059 -3.672 -5.908 540 H VAL 70 H VAL 70 -2.545 -3.415 -10.137 541 HA VAL 70 HA VAL 70 -3.356 -6.088 -9.403 542 HB VAL 70 HB VAL 70 -4.752 -4.127 -11.279 543 1HG1 VAL 70 1HG1 VAL 70 -5.796 -6.420 -9.556 544 2HG1 VAL 70 2HG1 VAL 70 -6.787 -5.312 -10.528 545 3HG1 VAL 70 3HG1 VAL 70 -5.667 -6.421 -11.327 546 1HG2 VAL 70 3HG2 VAL 70 -4.855 -4.396 -8.245 547 2HG2 VAL 70 1HG2 VAL 70 -4.322 -2.970 -9.141 548 3HG2 VAL 70 2HG2 VAL 70 -6.014 -3.452 -9.210 549 H LYS 71 H LYS 71 -2.137 -4.497 -12.340 550 HA LYS 71 HA LYS 71 -2.318 -6.743 -14.063 551 1HB LYS 71 1HB LYS 71 -1.810 -4.722 -15.100 552 2HB LYS 71 2HB LYS 71 -0.467 -4.375 -14.018 553 1HG LYS 71 1HG LYS 71 0.910 -6.101 -14.967 554 2HG LYS 71 2HG LYS 71 -0.425 -6.660 -16.001 555 1HD LYS 71 1HD LYS 71 -0.469 -4.464 -17.143 556 2HD LYS 71 2HD LYS 71 0.848 -3.885 -16.098 557 1HE LYS 71 1HE LYS 71 2.337 -5.672 -16.994 558 2HE LYS 71 2HE LYS 71 1.018 -6.248 -18.033 559 1HZ LYS 71 3HZ LYS 71 1.029 -4.126 -19.120 560 2HZ LYS 71 1HZ LYS 71 2.253 -3.587 -18.155 561 3HZ LYS 71 2HZ LYS 71 2.518 -4.828 -19.206 562 H LYS 72 H LYS 72 0.388 -5.744 -11.973 563 HA LYS 72 HA LYS 72 1.949 -8.073 -12.257 564 1HB LYS 72 1HB LYS 72 1.692 -6.058 -10.026 565 2HB LYS 72 2HB LYS 72 2.489 -7.590 -9.695 566 1HG LYS 72 1HG LYS 72 4.194 -6.126 -10.240 567 2HG LYS 72 2HG LYS 72 4.030 -7.207 -11.628 568 1HD LYS 72 1HD LYS 72 2.697 -5.413 -12.800 569 2HD LYS 72 2HD LYS 72 2.953 -4.355 -11.403 570 1HE LYS 72 1HE LYS 72 5.172 -5.531 -13.141 571 2HE LYS 72 2HE LYS 72 4.532 -3.886 -13.272 572 1HZ LYS 72 3HZ LYS 72 5.250 -3.476 -11.039 573 2HZ LYS 72 1HZ LYS 72 5.853 -5.005 -10.903 574 3HZ LYS 72 2HZ LYS 72 6.525 -3.952 -11.972 575 H ILE 73 H ILE 73 -0.748 -7.590 -9.986 576 HA ILE 73 HA ILE 73 -0.610 -10.171 -8.795 577 HB ILE 73 HB ILE 73 -3.030 -8.387 -9.251 578 1HG1 ILE 73 1HG1 ILE 73 -1.349 -8.998 -6.775 579 2HG1 ILE 73 2HG1 ILE 73 -1.252 -7.520 -7.739 580 1HG2 ILE 73 3HG2 ILE 73 -3.819 -10.725 -9.019 581 2HG2 ILE 73 1HG2 ILE 73 -2.848 -10.904 -7.544 582 3HG2 ILE 73 2HG2 ILE 73 -4.231 -9.790 -7.610 583 1HD1 ILE 73 3HD1 ILE 73 -3.656 -7.038 -7.180 584 2HD1 ILE 73 1HD1 ILE 73 -3.611 -8.412 -6.049 585 3HD1 ILE 73 2HD1 ILE 73 -2.547 -7.033 -5.795 586 H SER 74 H SER 74 -2.341 -9.125 -11.719 587 HA SER 74 HA SER 74 -2.409 -11.883 -12.736 588 1HB SER 74 1HB SER 74 -4.197 -12.054 -11.129 589 2HB SER 74 2HB SER 74 -4.927 -10.533 -11.676 590 HG SER 74 HG SER 74 -5.744 -11.525 -13.380 591 H GLN 75 H GLN 75 -3.894 -8.661 -13.093 592 HA GLN 75 HA GLN 75 -4.717 -9.312 -15.792 593 1HB GLN 75 1HB GLN 75 -4.597 -6.538 -14.538 594 2HB GLN 75 2HB GLN 75 -5.547 -7.054 -15.938 595 1HG GLN 75 1HG GLN 75 -5.901 -7.919 -13.037 596 2HG GLN 75 2HG GLN 75 -7.013 -6.956 -14.006 597 1HE2 GLN 75 1HE2 GLN 75 -8.230 -9.836 -15.856 598 2HE2 GLN 75 2HE2 GLN 75 -7.895 -8.125 -16.045 No H/Q in entry = 598 Start of MODEL 6 Raw file had 599 H/Q atoms Start of MODEL 6 1 1H LYS 1 1H LYS 1 -8.184 -10.806 -4.914 2 2H LYS 1 2H LYS 1 -7.001 -9.635 -5.156 3 3H LYS 1 3H LYS 1 -7.112 -10.425 -3.675 4 HA LYS 1 HA LYS 1 -9.245 -9.473 -3.269 5 1HB LYS 1 1HB LYS 1 -7.100 -7.466 -4.084 6 2HB LYS 1 2HB LYS 1 -8.445 -7.118 -2.993 7 1HG LYS 1 1HG LYS 1 -6.174 -9.088 -2.488 8 2HG LYS 1 2HG LYS 1 -6.332 -7.460 -1.807 9 1HD LYS 1 1HD LYS 1 -8.561 -8.253 -0.781 10 2HD LYS 1 2HD LYS 1 -8.040 -9.895 -1.199 11 1HE LYS 1 1HE LYS 1 -6.598 -7.894 0.617 12 2HE LYS 1 2HE LYS 1 -7.414 -9.381 1.115 13 1HZ LYS 1 3HZ LYS 1 -5.782 -10.610 -0.147 14 2HZ LYS 1 1HZ LYS 1 -5.014 -9.216 -0.576 15 3HZ LYS 1 2HZ LYS 1 -5.063 -9.671 1.001 16 H SER 2 H SER 2 -11.046 -8.301 -4.079 17 HA SER 2 HA SER 2 -11.350 -8.153 -6.946 18 1HB SER 2 1HB SER 2 -13.551 -7.139 -6.389 19 2HB SER 2 2HB SER 2 -13.257 -8.605 -5.446 20 HG SER 2 HG SER 2 -12.835 -7.386 -3.676 21 HA PRO 3 HA PRO 3 -9.999 -3.914 -7.812 22 1HB PRO 3 1HB PRO 3 -12.828 -3.580 -8.843 23 2HB PRO 3 2HB PRO 3 -11.302 -2.972 -9.551 24 1HG PRO 3 1HG PRO 3 -12.405 -5.236 -10.537 25 2HG PRO 3 2HG PRO 3 -10.649 -5.200 -10.193 26 1HD PRO 3 1HD PRO 3 -12.857 -6.389 -8.506 27 2HD PRO 3 2HD PRO 3 -11.249 -7.061 -8.910 28 H GLU 4 H GLU 4 -13.284 -4.358 -6.441 29 HA GLU 4 HA GLU 4 -13.557 -1.831 -5.199 30 1HB GLU 4 1HB GLU 4 -14.708 -4.553 -4.434 31 2HB GLU 4 2HB GLU 4 -15.258 -2.995 -3.797 32 1HG GLU 4 1HG GLU 4 -15.893 -2.256 -6.067 33 2HG GLU 4 2HG GLU 4 -15.344 -3.793 -6.751 34 H GLU 5 H GLU 5 -12.181 -4.889 -4.008 35 HA GLU 5 HA GLU 5 -11.649 -3.891 -1.330 36 1HB GLU 5 1HB GLU 5 -10.579 -6.218 -2.948 37 2HB GLU 5 2HB GLU 5 -9.969 -5.836 -1.331 38 1HG GLU 5 1HG GLU 5 -12.087 -6.209 -0.298 39 2HG GLU 5 2HG GLU 5 -12.938 -6.257 -1.844 40 H LEU 6 H LEU 6 -9.790 -4.153 -4.347 41 HA LEU 6 HA LEU 6 -7.350 -3.163 -3.331 42 1HB LEU 6 1HB LEU 6 -8.546 -3.221 -6.117 43 2HB LEU 6 2HB LEU 6 -6.946 -2.617 -5.795 44 HG LEU 6 HG LEU 6 -7.697 -5.294 -4.620 45 1HD1 LEU 6 1HD1 LEU 6 -6.895 -4.916 -7.511 46 2HD1 LEU 6 2HD1 LEU 6 -6.775 -6.450 -6.611 47 3HD1 LEU 6 3HD1 LEU 6 -8.353 -5.691 -6.897 48 1HD2 LEU 6 1HD2 LEU 6 -5.488 -4.171 -4.095 49 2HD2 LEU 6 2HD2 LEU 6 -5.284 -5.723 -4.938 50 3HD2 LEU 6 3HD2 LEU 6 -5.098 -4.205 -5.822 51 H LYS 7 H LYS 7 -10.101 -1.387 -4.758 52 HA LYS 7 HA LYS 7 -8.988 1.221 -4.452 53 1HB LYS 7 1HB LYS 7 -11.069 0.618 -5.737 54 2HB LYS 7 2HB LYS 7 -11.881 0.255 -4.232 55 1HG LYS 7 1HG LYS 7 -12.673 2.317 -4.987 56 2HG LYS 7 2HG LYS 7 -11.739 2.641 -3.536 57 1HD LYS 7 1HD LYS 7 -10.329 2.882 -6.204 58 2HD LYS 7 2HD LYS 7 -11.572 4.078 -5.832 59 1HE LYS 7 1HE LYS 7 -10.463 4.697 -3.751 60 2HE LYS 7 2HE LYS 7 -9.182 3.498 -4.040 61 1HZ LYS 7 3HZ LYS 7 -8.624 4.687 -6.024 62 2HZ LYS 7 1HZ LYS 7 -9.789 5.815 -5.729 63 3HZ LYS 7 2HZ LYS 7 -8.508 5.662 -4.701 64 H GLY 8 H GLY 8 -11.082 -0.631 -2.258 65 1HA GLY 8 1HA GLY 8 -11.202 1.180 -0.099 66 2HA GLY 8 2HA GLY 8 -11.244 -0.586 0.073 67 H ILE 9 H ILE 9 -8.828 -1.361 -0.704 68 HA ILE 9 HA ILE 9 -7.036 -1.018 1.461 69 HB ILE 9 HB ILE 9 -6.836 -2.167 -1.313 70 1HG1 ILE 9 1HG1 ILE 9 -8.341 -3.089 0.640 71 2HG1 ILE 9 2HG1 ILE 9 -7.400 -4.192 -0.374 72 1HG2 ILE 9 1HG2 ILE 9 -4.717 -2.249 0.838 73 2HG2 ILE 9 2HG2 ILE 9 -4.796 -3.362 -0.548 74 3HG2 ILE 9 3HG2 ILE 9 -4.580 -1.630 -0.817 75 1HD1 ILE 9 1HD1 ILE 9 -6.479 -3.181 2.351 76 2HD1 ILE 9 2HD1 ILE 9 -7.369 -4.693 2.080 77 3HD1 ILE 9 3HD1 ILE 9 -5.776 -4.484 1.352 78 H PHE 10 H PHE 10 -6.933 0.236 -1.930 79 HA PHE 10 HA PHE 10 -4.582 1.717 -1.797 80 1HB PHE 10 1HB PHE 10 -5.957 1.315 -3.858 81 2HB PHE 10 2HB PHE 10 -7.172 2.385 -3.263 82 HD1 PHE 10 HD1 PHE 10 -6.811 4.821 -2.989 83 HD2 PHE 10 HD2 PHE 10 -3.882 2.233 -4.821 84 HE1 PHE 10 HE1 PHE 10 -5.755 6.761 -4.030 85 HE2 PHE 10 HE2 PHE 10 -2.786 4.227 -5.844 86 HZ PHE 10 HZ PHE 10 -3.751 6.470 -5.504 87 H GLU 11 H GLU 11 -7.918 2.744 -0.936 88 HA GLU 11 HA GLU 11 -7.194 5.388 -0.069 89 1HB GLU 11 1HB GLU 11 -9.560 3.615 0.672 90 2HB GLU 11 2HB GLU 11 -9.394 5.315 1.135 91 1HG GLU 11 1HG GLU 11 -9.345 6.015 -1.204 92 2HG GLU 11 2HG GLU 11 -9.355 4.330 -1.741 93 H LYS 12 H LYS 12 -7.799 2.377 1.767 94 HA LYS 12 HA LYS 12 -7.404 3.170 4.364 95 1HB LYS 12 1HB LYS 12 -8.061 0.950 3.940 96 2HB LYS 12 2HB LYS 12 -6.655 0.603 2.931 97 1HG LYS 12 1HG LYS 12 -5.146 0.524 4.719 98 2HG LYS 12 2HG LYS 12 -6.344 1.218 5.861 99 1HD LYS 12 1HD LYS 12 -7.774 -0.883 5.327 100 2HD LYS 12 2HD LYS 12 -6.314 -1.554 4.587 101 1HE LYS 12 1HE LYS 12 -6.672 -0.633 7.484 102 2HE LYS 12 2HE LYS 12 -6.570 -2.308 6.925 103 1HZ LYS 12 1HZ LYS 12 -4.418 -0.324 6.687 104 2HZ LYS 12 2HZ LYS 12 -4.512 -1.500 7.837 105 3HZ LYS 12 3HZ LYS 12 -4.326 -1.913 6.257 106 H TYR 13 H TYR 13 -4.782 2.118 2.125 107 HA TYR 13 HA TYR 13 -2.768 2.840 4.135 108 1HB TYR 13 1HB TYR 13 -2.566 1.813 1.324 109 2HB TYR 13 2HB TYR 13 -1.169 2.222 2.316 110 HD1 TYR 13 HD1 TYR 13 -0.886 1.152 4.585 111 HD2 TYR 13 HD2 TYR 13 -3.921 -0.195 1.911 112 HE1 TYR 13 HE1 TYR 13 -1.118 -0.968 5.888 113 HE2 TYR 13 HE2 TYR 13 -4.146 -2.278 3.107 114 HH TYR 13 HH TYR 13 -3.432 -3.527 5.000 115 H ALA 14 H ALA 14 -3.878 4.257 1.056 116 HA ALA 14 HA ALA 14 -1.977 6.349 0.854 117 1HB ALA 14 3HB ALA 14 -3.598 5.772 -0.936 118 2HB ALA 14 1HB ALA 14 -4.914 6.396 0.081 119 3HB ALA 14 2HB ALA 14 -3.643 7.481 -0.520 120 H ALA 15 H ALA 15 -4.923 6.193 2.794 121 HA ALA 15 HA ALA 15 -4.753 8.928 3.649 122 1HB ALA 15 3HB ALA 15 -6.848 7.533 3.730 123 2HB ALA 15 1HB ALA 15 -6.088 6.533 5.000 124 3HB ALA 15 2HB ALA 15 -6.450 8.237 5.318 125 H LYS 16 H LYS 16 -2.760 6.226 4.623 126 HA LYS 16 HA LYS 16 -2.505 7.104 7.396 127 1HB LYS 16 1HB LYS 16 -0.831 5.116 5.803 128 2HB LYS 16 2HB LYS 16 -0.724 5.410 7.547 129 1HG LYS 16 1HG LYS 16 -3.124 4.730 7.780 130 2HG LYS 16 2HG LYS 16 -3.131 4.350 6.049 131 1HD LYS 16 1HD LYS 16 -1.181 2.774 6.460 132 2HD LYS 16 2HD LYS 16 -1.415 3.025 8.196 133 1HE LYS 16 1HE LYS 16 -3.441 1.855 6.223 134 2HE LYS 16 2HE LYS 16 -2.530 0.960 7.451 135 1HZ LYS 16 3HZ LYS 16 -3.666 2.262 9.121 136 2HZ LYS 16 1HZ LYS 16 -4.529 3.050 7.957 137 3HZ LYS 16 2HZ LYS 16 -4.736 1.431 8.183 138 H GLU 17 H GLU 17 -2.173 9.289 6.382 139 HA GLU 17 HA GLU 17 -1.072 11.096 5.884 140 1HB GLU 17 1HB GLU 17 1.563 9.815 6.589 141 2HB GLU 17 2HB GLU 17 1.147 11.521 6.273 142 1HG GLU 17 1HG GLU 17 -0.407 11.491 8.243 143 2HG GLU 17 2HG GLU 17 0.039 9.806 8.564 144 H GLY 18 H GLY 18 -1.105 11.672 3.976 145 1HA GLY 18 1HA GLY 18 0.533 11.657 1.829 146 2HA GLY 18 2HA GLY 18 -0.211 10.039 1.716 147 H ASP 19 H ASP 19 -0.930 11.384 -0.346 148 HA ASP 19 HA ASP 19 -3.397 12.931 0.089 149 1HB ASP 19 1HB ASP 19 -2.045 13.544 -1.807 150 2HB ASP 19 2HB ASP 19 -1.942 11.865 -2.345 151 HA PRO 20 HA PRO 20 -5.359 8.833 0.653 152 1HB PRO 20 1HB PRO 20 -8.001 9.585 0.154 153 2HB PRO 20 2HB PRO 20 -7.154 9.660 1.727 154 1HG PRO 20 1HG PRO 20 -7.561 11.862 -0.297 155 2HG PRO 20 2HG PRO 20 -7.741 11.954 1.479 156 1HD PRO 20 1HD PRO 20 -5.538 12.865 0.266 157 2HD PRO 20 2HD PRO 20 -5.365 11.945 1.788 158 H ASN 21 H ASN 21 -5.733 10.955 -2.177 159 HA ASN 21 HA ASN 21 -6.875 8.913 -3.911 160 1HB ASN 21 1HB ASN 21 -5.778 11.671 -4.561 161 2HB ASN 21 2HB ASN 21 -6.798 10.656 -5.567 162 1HD2 ASN 21 1HD2 ASN 21 -8.444 12.994 -2.668 163 2HD2 ASN 21 2HD2 ASN 21 -6.696 12.845 -2.821 164 H GLN 22 H GLN 22 -3.648 9.488 -2.820 165 HA GLN 22 HA GLN 22 -2.477 8.210 -5.195 166 1HB GLN 22 1HB GLN 22 -2.764 10.574 -5.827 167 2HB GLN 22 2HB GLN 22 -1.809 11.063 -4.420 168 1HG GLN 22 1HG GLN 22 0.106 9.829 -5.292 169 2HG GLN 22 2HG GLN 22 -0.845 9.236 -6.648 170 1HE2 GLN 22 1HE2 GLN 22 0.450 13.151 -6.694 171 2HE2 GLN 22 2HE2 GLN 22 0.460 12.260 -5.177 172 H LEU 23 H LEU 23 -1.036 6.739 -4.443 173 HA LEU 23 HA LEU 23 -0.347 6.756 -1.616 174 1HB LEU 23 1HB LEU 23 0.393 4.870 -3.867 175 2HB LEU 23 2HB LEU 23 0.793 4.671 -2.183 176 HG LEU 23 HG LEU 23 -2.117 4.927 -2.931 177 1HD1 LEU 23 1HD1 LEU 23 -0.419 2.401 -2.978 178 2HD1 LEU 23 2HD1 LEU 23 -2.177 2.456 -3.122 179 3HD1 LEU 23 3HD1 LEU 23 -1.156 3.164 -4.402 180 1HD2 LEU 23 1HD2 LEU 23 -1.286 4.915 -0.536 181 2HD2 LEU 23 2HD2 LEU 23 -2.385 3.570 -0.908 182 3HD2 LEU 23 3HD2 LEU 23 -0.637 3.294 -0.796 183 H SER 24 H SER 24 1.567 7.531 -0.759 184 HA SER 24 HA SER 24 3.914 7.922 -2.523 185 1HB SER 24 1HB SER 24 4.599 9.470 -1.134 186 2HB SER 24 2HB SER 24 3.045 9.388 -0.318 187 HG SER 24 HG SER 24 3.965 8.102 1.233 188 H LYS 25 H LYS 25 6.021 7.093 -1.261 189 HA LYS 25 HA LYS 25 6.005 4.343 -1.817 190 1HB LYS 25 1HB LYS 25 7.994 6.031 -0.211 191 2HB LYS 25 2HB LYS 25 8.289 4.353 -0.694 192 1HG LYS 25 1HG LYS 25 8.093 4.951 -3.063 193 2HG LYS 25 2HG LYS 25 7.788 6.645 -2.634 194 1HD LYS 25 1HD LYS 25 10.019 6.762 -1.544 195 2HD LYS 25 2HD LYS 25 10.324 5.069 -1.986 196 1HE LYS 25 1HE LYS 25 10.105 5.653 -4.393 197 2HE LYS 25 2HE LYS 25 9.775 7.340 -3.958 198 1HZ LYS 25 3HZ LYS 25 11.956 7.429 -2.963 199 2HZ LYS 25 1HZ LYS 25 12.270 5.876 -3.426 200 3HZ LYS 25 2HZ LYS 25 12.035 7.043 -4.561 201 H GLU 26 H GLU 26 5.835 5.957 1.389 202 HA GLU 26 HA GLU 26 6.241 3.495 2.804 203 1HB GLU 26 1HB GLU 26 4.795 6.006 3.833 204 2HB GLU 26 2HB GLU 26 5.555 4.726 4.790 205 1HG GLU 26 1HG GLU 26 7.739 5.324 3.598 206 2HG GLU 26 2HG GLU 26 6.933 6.782 3.002 207 H GLU 27 H GLU 27 3.321 5.287 1.997 208 HA GLU 27 HA GLU 27 1.426 3.473 3.044 209 1HB GLU 27 1HB GLU 27 1.098 5.059 0.461 210 2HB GLU 27 2HB GLU 27 -0.157 4.356 1.488 211 1HG GLU 27 1HG GLU 27 -0.225 6.518 2.298 212 2HG GLU 27 2HG GLU 27 0.985 5.868 3.394 213 H LEU 28 H LEU 28 2.901 3.489 -0.312 214 HA LEU 28 HA LEU 28 1.836 0.956 -1.022 215 1HB LEU 28 1HB LEU 28 4.317 2.479 -1.844 216 2HB LEU 28 2HB LEU 28 4.044 0.841 -2.464 217 HG LEU 28 HG LEU 28 1.808 2.798 -2.465 218 1HD1 LEU 28 3HD1 LEU 28 3.667 4.013 -3.478 219 2HD1 LEU 28 1HD1 LEU 28 3.910 2.664 -4.636 220 3HD1 LEU 28 2HD1 LEU 28 2.409 3.628 -4.660 221 1HD2 LEU 28 3HD2 LEU 28 2.610 0.523 -4.362 222 2HD2 LEU 28 1HD2 LEU 28 1.318 0.441 -3.151 223 3HD2 LEU 28 2HD2 LEU 28 1.155 1.513 -4.553 224 H LYS 29 H LYS 29 4.760 1.610 0.874 225 HA LYS 29 HA LYS 29 5.634 -1.115 0.737 226 1HB LYS 29 1HB LYS 29 6.959 0.894 1.599 227 2HB LYS 29 2HB LYS 29 5.958 0.910 3.025 228 1HG LYS 29 1HG LYS 29 6.720 -1.480 3.517 229 2HG LYS 29 2HG LYS 29 7.856 -1.317 2.167 230 1HD LYS 29 1HD LYS 29 8.870 0.670 3.340 231 2HD LYS 29 2HD LYS 29 7.727 0.435 4.675 232 1HE LYS 29 1HE LYS 29 8.654 -1.826 5.098 233 2HE LYS 29 2HE LYS 29 9.785 -1.629 3.747 234 1HZ LYS 29 1HZ LYS 29 9.705 0.030 6.168 235 2HZ LYS 29 2HZ LYS 29 10.806 -1.149 5.836 236 3HZ LYS 29 3HZ LYS 29 10.757 0.214 4.913 237 H LEU 30 H LEU 30 3.806 0.593 3.283 238 HA LEU 30 HA LEU 30 3.304 -1.798 4.763 239 1HB LEU 30 1HB LEU 30 1.966 0.929 4.670 240 2HB LEU 30 2HB LEU 30 1.198 -0.368 5.578 241 HG LEU 30 HG LEU 30 2.562 1.115 6.976 242 1HD1 LEU 30 3HD1 LEU 30 2.047 -1.215 7.653 243 2HD1 LEU 30 1HD1 LEU 30 3.595 -1.752 6.970 244 3HD1 LEU 30 2HD1 LEU 30 3.571 -0.616 8.326 245 1HD2 LEU 30 1HD2 LEU 30 4.433 1.584 5.436 246 2HD2 LEU 30 2HD2 LEU 30 4.992 0.983 7.002 247 3HD2 LEU 30 3HD2 LEU 30 4.997 -0.097 5.600 248 H LEU 31 H LEU 31 1.365 -0.295 2.216 249 HA LEU 31 HA LEU 31 -0.779 -2.118 2.169 250 1HB LEU 31 1HB LEU 31 -0.569 -0.012 0.898 251 2HB LEU 31 2HB LEU 31 0.593 -0.754 -0.184 252 HG LEU 31 HG LEU 31 -2.188 -1.931 0.154 253 1HD1 LEU 31 1HD1 LEU 31 -1.332 0.426 -1.590 254 2HD1 LEU 31 2HD1 LEU 31 -2.813 -0.506 -1.870 255 3HD1 LEU 31 3HD1 LEU 31 -2.619 0.396 -0.366 256 1HD2 LEU 31 3HD2 LEU 31 -0.174 -1.786 -2.175 257 2HD2 LEU 31 1HD2 LEU 31 -0.502 -3.222 -1.199 258 3HD2 LEU 31 2HD2 LEU 31 -1.757 -2.571 -2.257 259 H LEU 32 H LEU 32 2.282 -2.276 0.368 260 HA LEU 32 HA LEU 32 1.868 -4.799 -0.870 261 1HB LEU 32 1HB LEU 32 4.401 -3.336 -0.032 262 2HB LEU 32 2HB LEU 32 4.455 -4.871 -0.889 263 HG LEU 32 HG LEU 32 2.912 -2.515 -2.036 264 1HD1 LEU 32 1HD1 LEU 32 5.858 -3.205 -2.455 265 2HD1 LEU 32 2HD1 LEU 32 4.938 -1.984 -3.358 266 3HD1 LEU 32 3HD1 LEU 32 5.246 -1.759 -1.630 267 1HD2 LEU 32 3HD2 LEU 32 4.248 -4.957 -3.264 268 2HD2 LEU 32 1HD2 LEU 32 2.497 -4.741 -3.036 269 3HD2 LEU 32 2HD2 LEU 32 3.382 -3.686 -4.151 270 H GLN 33 H GLN 33 3.712 -4.068 2.099 271 HA GLN 33 HA GLN 33 4.451 -6.680 2.794 272 1HB GLN 33 1HB GLN 33 3.809 -4.235 4.503 273 2HB GLN 33 2HB GLN 33 4.516 -5.695 5.171 274 1HG GLN 33 1HG GLN 33 5.801 -3.988 2.978 275 2HG GLN 33 2HG GLN 33 6.164 -3.867 4.701 276 1HE2 GLN 33 1HE2 GLN 33 7.660 -7.306 4.529 277 2HE2 GLN 33 2HE2 GLN 33 6.299 -6.634 5.403 278 H THR 34 H THR 34 1.641 -4.818 3.911 279 HA THR 34 HA THR 34 0.775 -6.959 5.623 280 HB THR 34 HB THR 34 -0.829 -4.526 4.757 281 HG1 THR 34 HG1 THR 34 1.045 -3.737 5.495 282 1HG2 THR 34 1HG2 THR 34 -0.832 -6.212 7.303 283 2HG2 THR 34 2HG2 THR 34 -1.784 -4.739 7.039 284 3HG2 THR 34 3HG2 THR 34 -2.116 -6.187 6.071 285 H GLU 35 H GLU 35 -0.348 -5.782 2.375 286 HA GLU 35 HA GLU 35 -2.573 -7.705 2.507 287 1HB GLU 35 1HB GLU 35 -1.953 -5.416 0.624 288 2HB GLU 35 2HB GLU 35 -3.446 -6.340 0.691 289 1HG GLU 35 1HG GLU 35 -2.296 -4.529 2.875 290 2HG GLU 35 2HG GLU 35 -3.598 -4.130 1.775 291 H PHE 36 H PHE 36 0.468 -7.256 0.741 292 HA PHE 36 HA PHE 36 -0.299 -9.581 -0.968 293 1HB PHE 36 1HB PHE 36 0.897 -7.050 -2.098 294 2HB PHE 36 2HB PHE 36 0.397 -8.500 -2.958 295 HD1 PHE 36 HD1 PHE 36 -2.042 -8.986 -3.364 296 HD2 PHE 36 HD2 PHE 36 -0.700 -5.408 -1.392 297 HE1 PHE 36 HE1 PHE 36 -4.301 -7.954 -3.674 298 HE2 PHE 36 HE2 PHE 36 -2.982 -4.440 -1.593 299 HZ PHE 36 HZ PHE 36 -4.804 -5.778 -2.596 300 HA PRO 37 HA PRO 37 4.081 -10.084 0.500 301 1HB PRO 37 1HB PRO 37 3.729 -12.592 1.549 302 2HB PRO 37 2HB PRO 37 3.530 -11.083 2.485 303 1HG PRO 37 1HG PRO 37 1.365 -12.749 1.195 304 2HG PRO 37 2HG PRO 37 1.389 -12.061 2.843 305 1HD PRO 37 1HD PRO 37 0.081 -10.882 0.770 306 2HD PRO 37 2HD PRO 37 0.859 -9.882 2.014 307 H SER 38 H SER 38 1.475 -11.796 -1.134 308 HA SER 38 HA SER 38 2.839 -13.751 -2.619 309 1HB SER 38 1HB SER 38 0.323 -12.273 -3.460 310 2HB SER 38 2HB SER 38 0.712 -13.992 -3.656 311 HG SER 38 HG SER 38 0.534 -14.168 -1.353 312 H LEU 39 H LEU 39 2.566 -10.284 -2.963 313 HA LEU 39 HA LEU 39 3.668 -10.312 -5.728 314 1HB LEU 39 1HB LEU 39 2.605 -8.204 -3.844 315 2HB LEU 39 2HB LEU 39 3.532 -7.777 -5.297 316 HG LEU 39 HG LEU 39 0.878 -9.280 -5.237 317 1HD1 LEU 39 3HD1 LEU 39 0.753 -6.847 -4.648 318 2HD1 LEU 39 1HD1 LEU 39 1.642 -6.462 -6.129 319 3HD1 LEU 39 2HD1 LEU 39 0.013 -7.165 -6.221 320 1HD2 LEU 39 3HD2 LEU 39 2.612 -8.361 -7.575 321 2HD2 LEU 39 1HD2 LEU 39 2.085 -10.023 -7.220 322 3HD2 LEU 39 2HD2 LEU 39 0.905 -8.819 -7.728 323 H LEU 40 H LEU 40 4.279 -9.086 -2.462 324 HA LEU 40 HA LEU 40 6.656 -7.846 -2.777 325 1HB LEU 40 1HB LEU 40 5.340 -8.045 -0.635 326 2HB LEU 40 2HB LEU 40 5.999 -9.681 -0.459 327 HG LEU 40 HG LEU 40 8.327 -8.688 -0.395 328 1HD1 LEU 40 1HD1 LEU 40 6.763 -6.079 -0.103 329 2HD1 LEU 40 2HD1 LEU 40 8.497 -6.288 0.209 330 3HD1 LEU 40 3HD1 LEU 40 7.874 -6.484 -1.432 331 1HD2 LEU 40 1HD2 LEU 40 7.107 -9.426 1.608 332 2HD2 LEU 40 2HD2 LEU 40 8.116 -8.012 1.942 333 3HD2 LEU 40 3HD2 LEU 40 6.357 -7.822 1.749 334 H LYS 41 H LYS 41 6.343 -11.340 -2.233 335 HA LYS 41 HA LYS 41 8.046 -12.867 -1.777 336 1HB LYS 41 1HB LYS 41 7.813 -12.283 -4.730 337 2HB LYS 41 2HB LYS 41 8.379 -13.803 -3.986 338 1HG LYS 41 1HG LYS 41 6.143 -13.991 -2.849 339 2HG LYS 41 2HG LYS 41 5.605 -12.597 -3.789 340 1HD LYS 41 1HD LYS 41 6.537 -15.293 -4.872 341 2HD LYS 41 2HD LYS 41 4.891 -14.656 -4.880 342 1HE LYS 41 1HE LYS 41 7.265 -13.654 -6.520 343 2HE LYS 41 2HE LYS 41 5.785 -14.426 -7.096 344 1HZ LYS 41 3HZ LYS 41 4.571 -12.522 -6.226 345 2HZ LYS 41 1HZ LYS 41 5.983 -11.763 -5.866 346 3HZ LYS 41 2HZ LYS 41 5.625 -12.118 -7.435 347 H GLY 42 H GLY 42 9.602 -11.437 -4.610 348 1HA GLY 42 1HA GLY 42 12.206 -12.171 -3.569 349 2HA GLY 42 2HA GLY 42 11.845 -11.415 -5.126 350 H GLY 43 H GLY 43 10.403 -9.446 -2.842 351 1HA GLY 43 1HA GLY 43 11.021 -7.620 -1.614 352 2HA GLY 43 2HA GLY 43 12.726 -8.066 -1.766 353 H SER 44 H SER 44 13.464 -7.910 -4.234 354 HA SER 44 HA SER 44 14.271 -6.350 -5.727 355 1HB SER 44 1HB SER 44 12.103 -6.731 -6.821 356 2HB SER 44 2HB SER 44 11.337 -5.489 -5.821 357 HG SER 44 HG SER 44 11.998 -4.780 -7.945 358 H THR 45 H THR 45 12.777 -3.573 -5.751 359 HA THR 45 HA THR 45 13.489 -2.604 -3.033 360 HB THR 45 HB THR 45 14.385 -0.516 -3.898 361 HG1 THR 45 HG1 THR 45 14.309 -1.747 -6.440 362 1HG2 THR 45 3HG2 THR 45 15.977 -2.364 -3.415 363 2HG2 THR 45 1HG2 THR 45 15.891 -2.880 -5.112 364 3HG2 THR 45 2HG2 THR 45 16.556 -1.288 -4.702 365 H LEU 46 H LEU 46 12.063 -1.093 -2.257 366 HA LEU 46 HA LEU 46 9.401 -0.996 -3.244 367 1HB LEU 46 1HB LEU 46 10.868 1.150 -1.652 368 2HB LEU 46 2HB LEU 46 9.125 0.801 -1.604 369 HG LEU 46 HG LEU 46 11.460 -0.806 -0.529 370 1HD1 LEU 46 3HD1 LEU 46 10.893 1.162 0.790 371 2HD1 LEU 46 1HD1 LEU 46 9.198 0.645 0.881 372 3HD1 LEU 46 2HD1 LEU 46 10.470 -0.313 1.675 373 1HD2 LEU 46 3HD2 LEU 46 8.462 -1.471 -0.432 374 2HD2 LEU 46 1HD2 LEU 46 9.704 -2.405 -1.293 375 3HD2 LEU 46 2HD2 LEU 46 9.719 -2.343 0.474 376 H ASP 47 H ASP 47 12.217 1.078 -3.542 377 HA ASP 47 HA ASP 47 11.203 3.164 -5.077 378 1HB ASP 47 1HB ASP 47 13.941 1.827 -5.233 379 2HB ASP 47 2HB ASP 47 13.559 3.458 -5.809 380 H GLU 48 H GLU 48 12.675 0.154 -6.339 381 HA GLU 48 HA GLU 48 12.142 0.740 -9.056 382 1HB GLU 48 1HB GLU 48 13.669 -1.049 -8.440 383 2HB GLU 48 2HB GLU 48 12.359 -1.958 -7.651 384 1HG GLU 48 1HG GLU 48 12.962 -2.879 -9.864 385 2HG GLU 48 2HG GLU 48 11.276 -2.362 -9.800 386 H LEU 49 H LEU 49 10.170 -1.089 -6.709 387 HA LEU 49 HA LEU 49 8.032 -1.613 -8.544 388 1HB LEU 49 1HB LEU 49 8.279 -1.509 -5.535 389 2HB LEU 49 2HB LEU 49 6.661 -1.490 -6.224 390 HG LEU 49 HG LEU 49 7.440 -3.734 -5.567 391 1HD1 LEU 49 3HD1 LEU 49 5.651 -3.417 -7.247 392 2HD1 LEU 49 1HD1 LEU 49 6.855 -3.505 -8.550 393 3HD1 LEU 49 2HD1 LEU 49 6.577 -4.905 -7.503 394 1HD2 LEU 49 1HD2 LEU 49 9.812 -3.568 -6.208 395 2HD2 LEU 49 2HD2 LEU 49 9.026 -4.980 -6.932 396 3HD2 LEU 49 3HD2 LEU 49 9.360 -3.552 -7.928 397 H PHE 50 H PHE 50 8.621 1.142 -6.421 398 HA PHE 50 HA PHE 50 6.176 2.497 -6.851 399 1HB PHE 50 1HB PHE 50 7.879 2.946 -5.065 400 2HB PHE 50 2HB PHE 50 8.962 3.620 -6.273 401 HD1 PHE 50 HD1 PHE 50 5.727 4.012 -4.553 402 HD2 PHE 50 HD2 PHE 50 8.685 5.933 -7.018 403 HE1 PHE 50 HE1 PHE 50 4.846 6.219 -3.874 404 HE2 PHE 50 HE2 PHE 50 7.933 8.151 -6.171 405 HZ PHE 50 HZ PHE 50 6.127 8.274 -4.468 406 H GLU 51 H GLU 51 9.360 2.821 -8.496 407 HA GLU 51 HA GLU 51 8.485 4.789 -10.339 408 1HB GLU 51 1HB GLU 51 10.887 4.123 -9.801 409 2HB GLU 51 2HB GLU 51 10.638 2.652 -10.749 410 1HG GLU 51 1HG GLU 51 11.781 4.328 -12.099 411 2HG GLU 51 2HG GLU 51 10.170 4.050 -12.769 412 H GLU 52 H GLU 52 8.575 1.251 -10.520 413 HA GLU 52 HA GLU 52 7.663 0.957 -13.170 414 1HB GLU 52 1HB GLU 52 8.701 -0.772 -11.685 415 2HB GLU 52 2HB GLU 52 7.168 -0.937 -10.827 416 1HG GLU 52 1HG GLU 52 7.555 -1.398 -13.827 417 2HG GLU 52 2HG GLU 52 7.688 -2.670 -12.608 418 H LEU 53 H LEU 53 5.832 1.229 -10.131 419 HA LEU 53 HA LEU 53 3.254 0.901 -11.372 420 1HB LEU 53 1HB LEU 53 4.166 1.979 -8.687 421 2HB LEU 53 2HB LEU 53 2.475 1.786 -9.142 422 HG LEU 53 HG LEU 53 4.443 -0.539 -9.133 423 1HD1 LEU 53 3HD1 LEU 53 4.206 0.430 -6.865 424 2HD1 LEU 53 1HD1 LEU 53 2.436 0.317 -7.007 425 3HD1 LEU 53 2HD1 LEU 53 3.428 -1.159 -6.976 426 1HD2 LEU 53 3HD2 LEU 53 1.409 -0.436 -9.273 427 2HD2 LEU 53 1HD2 LEU 53 2.529 -0.992 -10.538 428 3HD2 LEU 53 2HD2 LEU 53 2.390 -1.906 -9.045 429 H ASP 54 H ASP 54 5.120 3.747 -10.363 430 HA ASP 54 HA ASP 54 2.996 5.604 -11.063 431 1HB ASP 54 1HB ASP 54 4.570 6.144 -9.266 432 2HB ASP 54 2HB ASP 54 5.907 6.071 -10.403 433 H LYS 55 H LYS 55 2.928 4.366 -13.273 434 HA LYS 55 HA LYS 55 4.809 4.770 -15.292 435 1HB LYS 55 1HB LYS 55 1.786 4.550 -15.425 436 2HB LYS 55 2HB LYS 55 2.807 4.593 -16.866 437 1HG LYS 55 1HG LYS 55 3.008 2.500 -14.649 438 2HG LYS 55 2HG LYS 55 2.226 2.313 -16.230 439 1HD LYS 55 1HD LYS 55 4.558 2.987 -17.229 440 2HD LYS 55 2HD LYS 55 5.182 2.592 -15.614 441 1HE LYS 55 1HE LYS 55 3.698 0.716 -17.507 442 2HE LYS 55 2HE LYS 55 5.413 0.672 -17.061 443 1HZ LYS 55 3HZ LYS 55 4.680 0.323 -14.766 444 2HZ LYS 55 1HZ LYS 55 3.132 0.177 -15.293 445 3HZ LYS 55 2HZ LYS 55 4.271 -0.913 -15.776 446 H ASN 56 H ASN 56 2.315 7.048 -14.224 447 HA ASN 56 HA ASN 56 2.981 8.888 -16.410 448 1HB ASN 56 1HB ASN 56 1.215 10.121 -15.892 449 2HB ASN 56 2HB ASN 56 0.668 8.613 -15.167 450 1HD2 ASN 56 1HD2 ASN 56 1.400 9.938 -11.782 451 2HD2 ASN 56 2HD2 ASN 56 1.895 8.566 -12.745 452 H GLY 57 H GLY 57 4.650 8.146 -13.590 453 1HA GLY 57 1HA GLY 57 6.446 9.085 -12.614 454 2HA GLY 57 2HA GLY 57 6.599 10.051 -14.083 455 H ASP 58 H ASP 58 3.834 10.308 -11.745 456 HA ASP 58 HA ASP 58 4.379 13.142 -11.510 457 1HB ASP 58 1HB ASP 58 2.397 13.285 -10.309 458 2HB ASP 58 2HB ASP 58 2.096 12.190 -11.643 459 H GLY 59 H GLY 59 5.482 10.371 -9.764 460 1HA GLY 59 1HA GLY 59 7.262 10.578 -8.221 461 2HA GLY 59 2HA GLY 59 6.643 12.125 -7.638 462 H GLU 60 H GLU 60 4.017 10.038 -8.043 463 HA GLU 60 HA GLU 60 4.184 8.366 -5.677 464 1HB GLU 60 1HB GLU 60 2.134 10.573 -5.964 465 2HB GLU 60 2HB GLU 60 2.099 9.258 -4.760 466 1HG GLU 60 1HG GLU 60 4.251 10.178 -3.827 467 2HG GLU 60 2HG GLU 60 4.015 11.597 -4.866 468 H VAL 61 H VAL 61 1.989 7.106 -5.665 469 HA VAL 61 HA VAL 61 1.420 6.455 -8.534 470 HB VAL 61 HB VAL 61 1.018 4.637 -6.170 471 1HG1 VAL 61 3HG1 VAL 61 -0.196 4.170 -8.349 472 2HG1 VAL 61 1HG1 VAL 61 1.395 4.096 -9.146 473 3HG1 VAL 61 2HG1 VAL 61 0.962 2.920 -7.880 474 1HG2 VAL 61 3HG2 VAL 61 3.413 4.812 -8.051 475 2HG2 VAL 61 1HG2 VAL 61 3.454 5.176 -6.313 476 3HG2 VAL 61 2HG2 VAL 61 3.131 3.530 -6.881 477 H SER 62 H SER 62 -0.426 7.427 -9.202 478 HA SER 62 HA SER 62 -2.770 7.766 -7.448 479 1HB SER 62 1HB SER 62 -2.165 8.415 -10.351 480 2HB SER 62 2HB SER 62 -3.822 8.419 -9.728 481 HG SER 62 HG SER 62 -1.688 10.040 -8.806 482 H PHE 63 H PHE 63 -4.820 6.777 -7.771 483 HA PHE 63 HA PHE 63 -4.783 4.058 -7.733 484 1HB PHE 63 1HB PHE 63 -6.613 5.398 -6.895 485 2HB PHE 63 2HB PHE 63 -7.157 5.733 -8.540 486 HD1 PHE 63 HD1 PHE 63 -6.416 2.883 -6.173 487 HD2 PHE 63 HD2 PHE 63 -8.698 4.212 -9.591 488 HE1 PHE 63 HE1 PHE 63 -7.643 0.750 -6.187 489 HE2 PHE 63 HE2 PHE 63 -9.972 2.089 -9.548 490 HZ PHE 63 HZ PHE 63 -9.471 0.362 -7.823 491 H GLU 64 H GLU 64 -5.474 6.038 -10.610 492 HA GLU 64 HA GLU 64 -6.255 3.966 -12.334 493 1HB GLU 64 1HB GLU 64 -5.773 5.551 -14.153 494 2HB GLU 64 2HB GLU 64 -6.650 6.314 -12.823 495 1HG GLU 64 1HG GLU 64 -4.444 7.267 -11.993 496 2HG GLU 64 2HG GLU 64 -3.667 6.590 -13.435 497 H GLU 65 H GLU 65 -2.981 4.994 -11.438 498 HA GLU 65 HA GLU 65 -1.799 3.210 -13.518 499 1HB GLU 65 1HB GLU 65 0.353 4.221 -12.833 500 2HB GLU 65 2HB GLU 65 -0.804 5.315 -13.599 501 1HG GLU 65 1HG GLU 65 -1.444 6.245 -11.413 502 2HG GLU 65 2HG GLU 65 -0.321 5.129 -10.601 503 H PHE 66 H PHE 66 -2.232 3.550 -10.010 504 HA PHE 66 HA PHE 66 -0.781 1.342 -9.058 505 1HB PHE 66 1HB PHE 66 -1.889 2.692 -7.482 506 2HB PHE 66 2HB PHE 66 -3.365 2.652 -8.392 507 HD1 PHE 66 HD1 PHE 66 -1.281 0.492 -6.163 508 HD2 PHE 66 HD2 PHE 66 -5.084 1.156 -8.047 509 HE1 PHE 66 HE1 PHE 66 -2.306 -1.287 -4.752 510 HE2 PHE 66 HE2 PHE 66 -6.024 -0.830 -6.915 511 HZ PHE 66 HZ PHE 66 -4.674 -1.939 -5.099 512 H GLN 67 H GLN 67 -3.703 1.350 -11.119 513 HA GLN 67 HA GLN 67 -4.429 -1.339 -10.904 514 1HB GLN 67 1HB GLN 67 -4.295 0.251 -13.495 515 2HB GLN 67 2HB GLN 67 -5.207 -1.236 -13.212 516 1HG GLN 67 1HG GLN 67 -5.747 1.505 -12.059 517 2HG GLN 67 2HG GLN 67 -6.788 0.516 -13.076 518 1HE2 GLN 67 1HE2 GLN 67 -6.984 0.228 -9.044 519 2HE2 GLN 67 2HE2 GLN 67 -6.133 1.489 -9.918 520 H VAL 68 H VAL 68 -1.438 -0.131 -12.307 521 HA VAL 68 HA VAL 68 -0.629 -2.414 -13.761 522 HB VAL 68 HB VAL 68 0.927 -0.377 -12.145 523 1HG1 VAL 68 1HG1 VAL 68 2.017 -2.396 -14.157 524 2HG1 VAL 68 2HG1 VAL 68 2.908 -1.055 -13.402 525 3HG1 VAL 68 3HG1 VAL 68 2.348 -2.399 -12.413 526 1HG2 VAL 68 1HG2 VAL 68 -0.389 0.429 -14.183 527 2HG2 VAL 68 2HG2 VAL 68 1.357 0.657 -14.294 528 3HG2 VAL 68 3HG2 VAL 68 0.578 -0.681 -15.165 529 H LEU 69 H LEU 69 -0.817 -1.873 -10.256 530 HA LEU 69 HA LEU 69 0.755 -4.173 -9.497 531 1HB LEU 69 1HB LEU 69 0.313 -2.206 -8.049 532 2HB LEU 69 2HB LEU 69 -1.399 -2.604 -7.983 533 HG LEU 69 HG LEU 69 0.511 -4.752 -7.157 534 1HD1 LEU 69 1HD1 LEU 69 -0.048 -2.287 -5.457 535 2HD1 LEU 69 2HD1 LEU 69 0.716 -3.782 -4.881 536 3HD1 LEU 69 3HD1 LEU 69 1.529 -2.790 -6.102 537 1HD2 LEU 69 3HD2 LEU 69 -2.118 -3.694 -5.996 538 2HD2 LEU 69 1HD2 LEU 69 -1.958 -5.120 -7.035 539 3HD2 LEU 69 2HD2 LEU 69 -1.242 -5.120 -5.419 540 H VAL 70 H VAL 70 -2.698 -3.461 -10.062 541 HA VAL 70 HA VAL 70 -3.694 -6.030 -9.264 542 HB VAL 70 HB VAL 70 -4.961 -4.053 -11.219 543 1HG1 VAL 70 1HG1 VAL 70 -6.123 -6.218 -9.413 544 2HG1 VAL 70 2HG1 VAL 70 -7.068 -5.051 -10.365 545 3HG1 VAL 70 3HG1 VAL 70 -6.055 -6.246 -11.185 546 1HG2 VAL 70 3HG2 VAL 70 -4.949 -4.134 -8.178 547 2HG2 VAL 70 1HG2 VAL 70 -4.423 -2.799 -9.194 548 3HG2 VAL 70 2HG2 VAL 70 -6.136 -3.209 -9.133 549 H LYS 71 H LYS 71 -2.664 -4.638 -12.396 550 HA LYS 71 HA LYS 71 -3.062 -6.932 -14.013 551 1HB LYS 71 1HB LYS 71 -2.535 -4.901 -15.091 552 2HB LYS 71 2HB LYS 71 -1.077 -4.657 -14.122 553 1HG LYS 71 1HG LYS 71 0.099 -6.428 -15.202 554 2HG LYS 71 2HG LYS 71 -1.368 -7.001 -16.018 555 1HD LYS 71 1HD LYS 71 0.073 -5.803 -17.582 556 2HD LYS 71 2HD LYS 71 -1.467 -4.952 -17.376 557 1HE LYS 71 1HE LYS 71 -0.428 -3.298 -15.914 558 2HE LYS 71 2HE LYS 71 1.095 -4.211 -15.881 559 1HZ LYS 71 1HZ LYS 71 -0.115 -2.951 -18.243 560 2HZ LYS 71 2HZ LYS 71 1.171 -2.374 -17.390 561 3HZ LYS 71 3HZ LYS 71 1.305 -3.789 -18.224 562 H LYS 72 H LYS 72 -0.173 -5.986 -12.156 563 HA LYS 72 HA LYS 72 1.286 -8.356 -12.543 564 1HB LYS 72 1HB LYS 72 1.367 -6.179 -10.506 565 2HB LYS 72 2HB LYS 72 2.032 -7.726 -9.994 566 1HG LYS 72 1HG LYS 72 3.820 -6.446 -10.897 567 2HG LYS 72 2HG LYS 72 3.490 -7.799 -11.984 568 1HD LYS 72 1HD LYS 72 2.136 -6.177 -13.427 569 2HD LYS 72 2HD LYS 72 2.686 -4.875 -12.353 570 1HE LYS 72 1HE LYS 72 5.054 -5.433 -12.904 571 2HE LYS 72 2HE LYS 72 4.491 -6.736 -13.972 572 1HZ LYS 72 3HZ LYS 72 3.342 -5.045 -15.259 573 2HZ LYS 72 1HZ LYS 72 3.999 -3.863 -14.306 574 3HZ LYS 72 2HZ LYS 72 4.974 -4.816 -15.221 575 H ILE 73 H ILE 73 -1.179 -7.807 -10.028 576 HA ILE 73 HA ILE 73 -0.984 -10.422 -8.860 577 HB ILE 73 HB ILE 73 -3.464 -8.676 -9.149 578 1HG1 ILE 73 1HG1 ILE 73 -1.580 -9.108 -6.786 579 2HG1 ILE 73 2HG1 ILE 73 -1.604 -7.682 -7.830 580 1HG2 ILE 73 3HG2 ILE 73 -4.082 -11.059 -8.794 581 2HG2 ILE 73 1HG2 ILE 73 -3.008 -11.117 -7.383 582 3HG2 ILE 73 2HG2 ILE 73 -4.457 -10.090 -7.392 583 1HD1 ILE 73 3HD1 ILE 73 -3.992 -7.267 -7.168 584 2HD1 ILE 73 1HD1 ILE 73 -3.818 -8.558 -5.956 585 3HD1 ILE 73 2HD1 ILE 73 -2.803 -7.117 -5.861 586 H SER 74 H SER 74 -2.962 -9.220 -11.532 587 HA SER 74 HA SER 74 -3.732 -10.133 -13.408 588 1HB SER 74 1HB SER 74 -1.384 -11.116 -13.447 589 2HB SER 74 2HB SER 74 -2.088 -12.640 -12.894 590 HG SER 74 HG SER 74 -2.739 -11.202 -15.255 591 H GLN 75 H GLN 75 -3.558 -12.839 -11.109 592 HA GLN 75 HA GLN 75 -5.963 -14.124 -11.968 593 1HB GLN 75 1HB GLN 75 -4.054 -15.099 -10.618 594 2HB GLN 75 2HB GLN 75 -4.679 -14.258 -9.196 595 1HG GLN 75 1HG GLN 75 -6.218 -16.298 -10.880 596 2HG GLN 75 2HG GLN 75 -5.343 -16.685 -9.398 597 1HE2 GLN 75 1HE2 GLN 75 -7.766 -15.170 -7.218 598 2HE2 GLN 75 2HE2 GLN 75 -6.066 -15.582 -7.348 No H/Q in entry = 598 Start of MODEL 7 Raw file had 599 H/Q atoms Start of MODEL 7 1 1H LYS 1 1H LYS 1 -9.704 -10.861 -4.862 2 2H LYS 1 2H LYS 1 -8.309 -9.934 -5.014 3 3H LYS 1 3H LYS 1 -8.693 -10.642 -3.537 4 HA LYS 1 HA LYS 1 -10.647 -9.304 -3.350 5 1HB LYS 1 1HB LYS 1 -8.162 -7.688 -4.021 6 2HB LYS 1 2HB LYS 1 -9.474 -7.159 -2.966 7 1HG LYS 1 1HG LYS 1 -7.472 -9.393 -2.431 8 2HG LYS 1 2HG LYS 1 -7.524 -7.798 -1.672 9 1HD LYS 1 1HD LYS 1 -9.834 -8.408 -0.751 10 2HD LYS 1 2HD LYS 1 -9.578 -10.038 -1.404 11 1HE LYS 1 1HE LYS 1 -8.960 -10.125 0.903 12 2HE LYS 1 2HE LYS 1 -7.455 -10.194 -0.031 13 1HZ LYS 1 1HZ LYS 1 -8.576 -7.792 1.249 14 2HZ LYS 1 2HZ LYS 1 -7.326 -8.695 1.829 15 3HZ LYS 1 3HZ LYS 1 -7.149 -7.862 0.426 16 H SER 2 H SER 2 -12.074 -7.717 -4.326 17 HA SER 2 HA SER 2 -12.002 -7.645 -7.239 18 1HB SER 2 1HB SER 2 -14.156 -6.395 -6.878 19 2HB SER 2 2HB SER 2 -14.109 -7.978 -6.092 20 HG SER 2 HG SER 2 -14.863 -6.390 -4.648 21 HA PRO 3 HA PRO 3 -10.045 -3.634 -7.769 22 1HB PRO 3 1HB PRO 3 -12.679 -2.856 -9.064 23 2HB PRO 3 2HB PRO 3 -11.019 -2.444 -9.589 24 1HG PRO 3 1HG PRO 3 -12.307 -4.503 -10.780 25 2HG PRO 3 2HG PRO 3 -10.609 -4.723 -10.257 26 1HD PRO 3 1HD PRO 3 -13.125 -5.648 -8.866 27 2HD PRO 3 2HD PRO 3 -11.581 -6.514 -9.121 28 H GLU 4 H GLU 4 -13.491 -3.567 -6.740 29 HA GLU 4 HA GLU 4 -13.515 -1.096 -5.405 30 1HB GLU 4 1HB GLU 4 -15.088 -3.592 -4.739 31 2HB GLU 4 2HB GLU 4 -15.418 -1.934 -4.215 32 1HG GLU 4 1HG GLU 4 -16.644 -1.733 -6.062 33 2HG GLU 4 2HG GLU 4 -15.153 -1.546 -6.948 34 H GLU 5 H GLU 5 -12.670 -4.330 -4.185 35 HA GLU 5 HA GLU 5 -12.259 -3.460 -1.436 36 1HB GLU 5 1HB GLU 5 -11.428 -5.943 -2.983 37 2HB GLU 5 2HB GLU 5 -11.032 -5.698 -1.276 38 1HG GLU 5 1HG GLU 5 -13.881 -5.676 -2.376 39 2HG GLU 5 2HG GLU 5 -13.093 -7.093 -1.668 40 H LEU 6 H LEU 6 -10.217 -3.977 -4.288 41 HA LEU 6 HA LEU 6 -7.741 -3.270 -3.030 42 1HB LEU 6 1HB LEU 6 -8.673 -3.091 -5.926 43 2HB LEU 6 2HB LEU 6 -7.081 -2.701 -5.367 44 HG LEU 6 HG LEU 6 -8.458 -5.423 -5.357 45 1HD1 LEU 6 3HD1 LEU 6 -7.187 -4.644 -7.369 46 2HD1 LEU 6 1HD1 LEU 6 -5.733 -4.503 -6.335 47 3HD1 LEU 6 2HD1 LEU 6 -6.472 -6.092 -6.626 48 1HD2 LEU 6 3HD2 LEU 6 -5.928 -4.661 -3.833 49 2HD2 LEU 6 1HD2 LEU 6 -7.404 -5.420 -3.173 50 3HD2 LEU 6 2HD2 LEU 6 -6.370 -6.323 -4.278 51 H LYS 7 H LYS 7 -10.256 -1.228 -4.569 52 HA LYS 7 HA LYS 7 -8.775 1.157 -4.189 53 1HB LYS 7 1HB LYS 7 -10.903 0.830 -5.558 54 2HB LYS 7 2HB LYS 7 -11.792 0.956 -4.051 55 1HG LYS 7 1HG LYS 7 -10.721 3.175 -3.602 56 2HG LYS 7 2HG LYS 7 -9.734 3.003 -5.061 57 1HD LYS 7 1HD LYS 7 -11.774 3.084 -6.457 58 2HD LYS 7 2HD LYS 7 -12.756 3.318 -4.988 59 1HE LYS 7 1HE LYS 7 -11.432 5.367 -4.442 60 2HE LYS 7 2HE LYS 7 -10.446 5.125 -5.890 61 1HZ LYS 7 3HZ LYS 7 -12.422 5.407 -7.208 62 2HZ LYS 7 1HZ LYS 7 -13.340 5.631 -5.856 63 3HZ LYS 7 2HZ LYS 7 -12.167 6.721 -6.247 64 H GLY 8 H GLY 8 -11.061 -0.569 -2.114 65 1HA GLY 8 1HA GLY 8 -11.198 1.215 0.086 66 2HA GLY 8 2HA GLY 8 -11.313 -0.554 0.209 67 H ILE 9 H ILE 9 -8.972 -1.493 -0.466 68 HA ILE 9 HA ILE 9 -7.113 -1.154 1.639 69 HB ILE 9 HB ILE 9 -6.972 -2.301 -1.124 70 1HG1 ILE 9 1HG1 ILE 9 -8.444 -3.234 0.670 71 2HG1 ILE 9 2HG1 ILE 9 -7.286 -4.370 -0.047 72 1HG2 ILE 9 1HG2 ILE 9 -4.755 -2.378 0.927 73 2HG2 ILE 9 2HG2 ILE 9 -4.892 -3.443 -0.494 74 3HG2 ILE 9 3HG2 ILE 9 -4.696 -1.705 -0.708 75 1HD1 ILE 9 3HD1 ILE 9 -5.857 -4.048 2.038 76 2HD1 ILE 9 1HD1 ILE 9 -7.161 -3.057 2.715 77 3HD1 ILE 9 2HD1 ILE 9 -7.447 -4.756 2.331 78 H PHE 10 H PHE 10 -6.897 0.033 -1.756 79 HA PHE 10 HA PHE 10 -4.552 1.478 -1.576 80 1HB PHE 10 1HB PHE 10 -5.807 1.051 -3.650 81 2HB PHE 10 2HB PHE 10 -7.070 2.151 -3.130 82 HD1 PHE 10 HD1 PHE 10 -6.612 4.618 -2.854 83 HD2 PHE 10 HD2 PHE 10 -3.834 1.897 -4.731 84 HE1 PHE 10 HE1 PHE 10 -5.099 6.457 -3.371 85 HE2 PHE 10 HE2 PHE 10 -2.614 3.847 -5.698 86 HZ PHE 10 HZ PHE 10 -3.231 6.132 -5.022 87 H GLU 11 H GLU 11 -7.862 2.627 -0.772 88 HA GLU 11 HA GLU 11 -7.065 5.286 -0.032 89 1HB GLU 11 1HB GLU 11 -9.528 3.620 0.600 90 2HB GLU 11 2HB GLU 11 -9.336 5.314 1.080 91 1HG GLU 11 1HG GLU 11 -9.118 6.035 -1.227 92 2HG GLU 11 2HG GLU 11 -9.114 4.374 -1.818 93 H LYS 12 H LYS 12 -7.761 2.351 1.914 94 HA LYS 12 HA LYS 12 -7.383 3.249 4.503 95 1HB LYS 12 1HB LYS 12 -8.008 1.003 4.223 96 2HB LYS 12 2HB LYS 12 -6.663 0.630 3.142 97 1HG LYS 12 1HG LYS 12 -5.043 0.616 4.811 98 2HG LYS 12 2HG LYS 12 -6.165 1.314 6.023 99 1HD LYS 12 1HD LYS 12 -7.572 -0.764 5.831 100 2HD LYS 12 2HD LYS 12 -6.423 -1.405 4.646 101 1HE LYS 12 1HE LYS 12 -5.957 -2.397 6.811 102 2HE LYS 12 2HE LYS 12 -4.616 -1.332 6.371 103 1HZ LYS 12 1HZ LYS 12 -6.814 -0.641 8.193 104 2HZ LYS 12 2HZ LYS 12 -5.287 -1.064 8.643 105 3HZ LYS 12 3HZ LYS 12 -5.540 0.332 7.808 106 H TYR 13 H TYR 13 -4.817 2.218 2.227 107 HA TYR 13 HA TYR 13 -2.728 3.016 4.139 108 1HB TYR 13 1HB TYR 13 -2.625 1.949 1.328 109 2HB TYR 13 2HB TYR 13 -1.206 2.373 2.288 110 HD1 TYR 13 HD1 TYR 13 -0.865 1.296 4.542 111 HD2 TYR 13 HD2 TYR 13 -3.947 -0.081 1.939 112 HE1 TYR 13 HE1 TYR 13 -0.985 -0.871 5.793 113 HE2 TYR 13 HE2 TYR 13 -4.006 -2.258 3.042 114 HH TYR 13 HH TYR 13 -1.892 -3.092 5.747 115 H ALA 14 H ALA 14 -3.873 4.238 1.009 116 HA ALA 14 HA ALA 14 -2.064 6.340 0.661 117 1HB ALA 14 3HB ALA 14 -3.534 5.382 -1.096 118 2HB ALA 14 1HB ALA 14 -4.902 6.253 -0.369 119 3HB ALA 14 2HB ALA 14 -3.515 7.130 -1.053 120 H ALA 15 H ALA 15 -4.932 6.335 2.691 121 HA ALA 15 HA ALA 15 -4.889 9.246 2.965 122 1HB ALA 15 3HB ALA 15 -6.973 7.893 3.189 123 2HB ALA 15 1HB ALA 15 -6.286 7.100 4.629 124 3HB ALA 15 2HB ALA 15 -6.638 8.840 4.655 125 H LYS 16 H LYS 16 -2.886 6.773 4.395 126 HA LYS 16 HA LYS 16 -2.854 7.784 7.072 127 1HB LYS 16 1HB LYS 16 -0.770 6.192 5.515 128 2HB LYS 16 2HB LYS 16 -0.675 6.550 7.246 129 1HG LYS 16 1HG LYS 16 -2.824 5.401 7.635 130 2HG LYS 16 2HG LYS 16 -2.955 5.026 5.909 131 1HD LYS 16 1HD LYS 16 -0.860 3.720 6.009 132 2HD LYS 16 2HD LYS 16 -0.677 4.120 7.729 133 1HE LYS 16 1HE LYS 16 -2.851 2.982 8.212 134 2HE LYS 16 2HE LYS 16 -2.995 2.545 6.500 135 1HZ LYS 16 3HZ LYS 16 -0.952 1.305 6.732 136 2HZ LYS 16 1HZ LYS 16 -0.853 1.703 8.328 137 3HZ LYS 16 2HZ LYS 16 -2.096 0.765 7.788 138 H GLU 17 H GLU 17 -0.532 8.229 4.405 139 HA GLU 17 HA GLU 17 -0.437 11.004 4.868 140 1HB GLU 17 1HB GLU 17 1.757 11.456 5.070 141 2HB GLU 17 2HB GLU 17 1.086 10.743 6.552 142 1HG GLU 17 1HG GLU 17 2.959 9.355 4.579 143 2HG GLU 17 2HG GLU 17 3.364 9.890 6.208 144 H GLY 18 H GLY 18 -0.883 11.487 3.055 145 1HA GLY 18 1HA GLY 18 0.413 11.625 0.620 146 2HA GLY 18 2HA GLY 18 -0.358 10.013 0.622 147 H ASP 19 H ASP 19 -2.001 10.639 -0.933 148 HA ASP 19 HA ASP 19 -4.157 12.361 0.227 149 1HB ASP 19 1HB ASP 19 -3.147 13.310 -1.856 150 2HB ASP 19 2HB ASP 19 -3.504 11.804 -2.700 151 HA PRO 20 HA PRO 20 -6.220 8.397 0.359 152 1HB PRO 20 1HB PRO 20 -8.795 9.109 -0.608 153 2HB PRO 20 2HB PRO 20 -8.230 9.098 1.089 154 1HG PRO 20 1HG PRO 20 -8.333 11.402 -0.860 155 2HG PRO 20 2HG PRO 20 -8.755 11.409 0.879 156 1HD PRO 20 1HD PRO 20 -6.408 12.391 0.069 157 2HD PRO 20 2HD PRO 20 -6.437 11.336 1.503 158 H ASN 21 H ASN 21 -6.169 10.272 -2.662 159 HA ASN 21 HA ASN 21 -6.923 7.959 -4.340 160 1HB ASN 21 1HB ASN 21 -6.280 10.854 -5.005 161 2HB ASN 21 2HB ASN 21 -6.932 9.640 -6.096 162 1HD2 ASN 21 1HD2 ASN 21 -9.442 11.590 -3.525 163 2HD2 ASN 21 2HD2 ASN 21 -7.693 11.806 -3.420 164 H GLN 22 H GLN 22 -4.076 9.059 -2.920 165 HA GLN 22 HA GLN 22 -2.363 8.247 -5.180 166 1HB GLN 22 1HB GLN 22 -3.022 10.835 -4.888 167 2HB GLN 22 2HB GLN 22 -1.770 10.761 -3.668 168 1HG GLN 22 1HG GLN 22 -0.542 11.326 -5.545 169 2HG GLN 22 2HG GLN 22 -0.407 9.532 -5.582 170 1HE2 GLN 22 1HE2 GLN 22 -1.138 10.161 -9.011 171 2HE2 GLN 22 2HE2 GLN 22 0.229 10.133 -7.914 172 H LEU 23 H LEU 23 -0.838 6.765 -4.379 173 HA LEU 23 HA LEU 23 -0.422 6.538 -1.474 174 1HB LEU 23 1HB LEU 23 0.383 4.778 -3.799 175 2HB LEU 23 2HB LEU 23 0.871 4.535 -2.152 176 HG LEU 23 HG LEU 23 -2.064 4.666 -2.768 177 1HD1 LEU 23 3HD1 LEU 23 -0.998 2.932 -4.266 178 2HD1 LEU 23 1HD1 LEU 23 -0.306 2.177 -2.820 179 3HD1 LEU 23 2HD1 LEU 23 -2.054 2.220 -3.018 180 1HD2 LEU 23 1HD2 LEU 23 -1.214 4.689 -0.395 181 2HD2 LEU 23 2HD2 LEU 23 -2.219 3.274 -0.760 182 3HD2 LEU 23 3HD2 LEU 23 -0.452 3.119 -0.673 183 H SER 24 H SER 24 1.404 7.248 -0.471 184 HA SER 24 HA SER 24 3.822 8.025 -1.946 185 1HB SER 24 1HB SER 24 4.647 8.631 0.278 186 2HB SER 24 2HB SER 24 3.023 9.291 0.043 187 HG SER 24 HG SER 24 2.582 8.295 1.822 188 H LYS 25 H LYS 25 5.949 7.031 -1.154 189 HA LYS 25 HA LYS 25 6.024 4.296 -1.761 190 1HB LYS 25 1HB LYS 25 7.994 6.052 -0.204 191 2HB LYS 25 2HB LYS 25 8.332 4.377 -0.667 192 1HG LYS 25 1HG LYS 25 8.033 4.927 -3.036 193 2HG LYS 25 2HG LYS 25 7.737 6.629 -2.628 194 1HD LYS 25 1HD LYS 25 10.013 6.775 -1.646 195 2HD LYS 25 2HD LYS 25 10.289 5.059 -2.017 196 1HE LYS 25 1HE LYS 25 9.974 5.529 -4.441 197 2HE LYS 25 2HE LYS 25 9.708 7.242 -4.074 198 1HZ LYS 25 3HZ LYS 25 11.933 7.306 -3.168 199 2HZ LYS 25 1HZ LYS 25 12.176 5.723 -3.571 200 3HZ LYS 25 2HZ LYS 25 11.935 6.845 -4.750 201 H GLU 26 H GLU 26 6.035 5.838 1.474 202 HA GLU 26 HA GLU 26 6.343 3.381 2.887 203 1HB GLU 26 1HB GLU 26 6.775 5.621 3.898 204 2HB GLU 26 2HB GLU 26 5.059 6.042 3.736 205 1HG GLU 26 1HG GLU 26 4.435 4.310 5.355 206 2HG GLU 26 2HG GLU 26 6.110 3.735 5.424 207 H GLU 27 H GLU 27 3.451 5.150 1.871 208 HA GLU 27 HA GLU 27 1.580 3.387 3.123 209 1HB GLU 27 1HB GLU 27 1.319 5.087 0.620 210 2HB GLU 27 2HB GLU 27 -0.021 4.294 1.478 211 1HG GLU 27 1HG GLU 27 0.409 5.518 3.510 212 2HG GLU 27 2HG GLU 27 1.850 6.275 2.851 213 H LEU 28 H LEU 28 2.942 3.373 -0.277 214 HA LEU 28 HA LEU 28 1.870 0.835 -0.927 215 1HB LEU 28 1HB LEU 28 4.354 2.339 -1.788 216 2HB LEU 28 2HB LEU 28 4.097 0.680 -2.361 217 HG LEU 28 HG LEU 28 1.845 2.614 -2.409 218 1HD1 LEU 28 3HD1 LEU 28 3.644 3.843 -3.459 219 2HD1 LEU 28 1HD1 LEU 28 3.941 2.473 -4.580 220 3HD1 LEU 28 2HD1 LEU 28 2.404 3.381 -4.637 221 1HD2 LEU 28 3HD2 LEU 28 2.671 0.305 -4.258 222 2HD2 LEU 28 1HD2 LEU 28 1.392 0.224 -3.035 223 3HD2 LEU 28 2HD2 LEU 28 1.194 1.259 -4.458 224 H LYS 29 H LYS 29 4.809 1.521 0.952 225 HA LYS 29 HA LYS 29 5.651 -1.210 0.873 226 1HB LYS 29 1HB LYS 29 6.946 0.887 1.603 227 2HB LYS 29 2HB LYS 29 6.062 0.834 3.105 228 1HG LYS 29 1HG LYS 29 6.975 -1.513 3.482 229 2HG LYS 29 2HG LYS 29 7.941 -1.323 2.009 230 1HD LYS 29 1HD LYS 29 9.090 0.639 3.021 231 2HD LYS 29 2HD LYS 29 8.083 0.476 4.477 232 1HE LYS 29 1HE LYS 29 9.008 -1.790 4.881 233 2HE LYS 29 2HE LYS 29 10.023 -1.642 3.432 234 1HZ LYS 29 1HZ LYS 29 10.161 0.078 5.809 235 2HZ LYS 29 2HZ LYS 29 11.222 -1.120 5.417 236 3HZ LYS 29 3HZ LYS 29 11.107 0.220 4.466 237 H LEU 30 H LEU 30 3.791 0.590 3.294 238 HA LEU 30 HA LEU 30 3.218 -1.649 4.968 239 1HB LEU 30 1HB LEU 30 1.622 0.899 4.480 240 2HB LEU 30 2HB LEU 30 1.295 -0.227 5.805 241 HG LEU 30 HG LEU 30 3.967 1.206 5.466 242 1HD1 LEU 30 3HD1 LEU 30 2.151 2.843 5.783 243 2HD1 LEU 30 1HD1 LEU 30 1.578 1.943 7.205 244 3HD1 LEU 30 2HD1 LEU 30 3.170 2.730 7.226 245 1HD2 LEU 30 3HD2 LEU 30 2.716 -0.299 7.806 246 2HD2 LEU 30 1HD2 LEU 30 4.119 -0.825 6.850 247 3HD2 LEU 30 2HD2 LEU 30 4.236 0.616 7.862 248 H LEU 31 H LEU 31 1.374 -0.335 2.257 249 HA LEU 31 HA LEU 31 -0.802 -2.134 2.282 250 1HB LEU 31 1HB LEU 31 -0.557 -0.084 0.908 251 2HB LEU 31 2HB LEU 31 0.603 -0.903 -0.132 252 HG LEU 31 HG LEU 31 -2.222 -1.927 0.295 253 1HD1 LEU 31 1HD1 LEU 31 -1.198 0.039 -1.802 254 2HD1 LEU 31 2HD1 LEU 31 -2.807 -0.706 -1.813 255 3HD1 LEU 31 3HD1 LEU 31 -2.360 0.399 -0.507 256 1HD2 LEU 31 3HD2 LEU 31 -0.155 -2.354 -1.918 257 2HD2 LEU 31 1HD2 LEU 31 -0.815 -3.588 -0.821 258 3HD2 LEU 31 2HD2 LEU 31 -1.853 -2.851 -2.032 259 H LEU 32 H LEU 32 2.285 -2.350 0.560 260 HA LEU 32 HA LEU 32 1.891 -4.920 -0.583 261 1HB LEU 32 1HB LEU 32 4.406 -3.399 0.182 262 2HB LEU 32 2HB LEU 32 4.460 -4.951 -0.652 263 HG LEU 32 HG LEU 32 2.911 -2.611 -1.818 264 1HD1 LEU 32 3HD1 LEU 32 5.268 -1.895 -1.463 265 2HD1 LEU 32 1HD1 LEU 32 5.836 -3.360 -2.290 266 3HD1 LEU 32 2HD1 LEU 32 4.914 -2.129 -3.181 267 1HD2 LEU 32 3HD2 LEU 32 4.157 -5.112 -3.012 268 2HD2 LEU 32 1HD2 LEU 32 2.416 -4.808 -2.792 269 3HD2 LEU 32 2HD2 LEU 32 3.350 -3.821 -3.924 270 H GLN 33 H GLN 33 3.569 -4.030 2.494 271 HA GLN 33 HA GLN 33 4.207 -6.610 3.380 272 1HB GLN 33 1HB GLN 33 3.305 -4.132 4.916 273 2HB GLN 33 2HB GLN 33 3.791 -5.619 5.727 274 1HG GLN 33 1HG GLN 33 6.039 -5.461 4.913 275 2HG GLN 33 2HG GLN 33 5.627 -4.132 3.820 276 1HE2 GLN 33 1HE2 GLN 33 5.733 -3.315 7.880 277 2HE2 GLN 33 2HE2 GLN 33 5.194 -4.897 7.346 278 H THR 34 H THR 34 1.192 -4.830 3.961 279 HA THR 34 HA THR 34 0.133 -6.968 5.567 280 HB THR 34 HB THR 34 -1.544 -4.844 4.199 281 HG1 THR 34 HG1 THR 34 0.247 -3.843 5.247 282 1HG2 THR 34 1HG2 THR 34 -1.745 -6.299 6.884 283 2HG2 THR 34 2HG2 THR 34 -2.887 -5.078 6.309 284 3HG2 THR 34 3HG2 THR 34 -2.753 -6.620 5.459 285 H GLU 35 H GLU 35 -0.484 -5.952 2.179 286 HA GLU 35 HA GLU 35 -2.494 -8.096 1.880 287 1HB GLU 35 1HB GLU 35 -1.862 -5.473 0.493 288 2HB GLU 35 2HB GLU 35 -2.866 -6.700 -0.294 289 1HG GLU 35 1HG GLU 35 -3.415 -5.682 2.531 290 2HG GLU 35 2HG GLU 35 -3.968 -4.834 1.089 291 H PHE 36 H PHE 36 0.686 -7.191 0.592 292 HA PHE 36 HA PHE 36 0.611 -9.590 -1.184 293 1HB PHE 36 1HB PHE 36 1.373 -6.838 -2.168 294 2HB PHE 36 2HB PHE 36 1.250 -8.329 -3.093 295 HD1 PHE 36 HD1 PHE 36 -1.270 -9.494 -2.712 296 HD2 PHE 36 HD2 PHE 36 -0.314 -5.287 -2.620 297 HE1 PHE 36 HE1 PHE 36 -3.650 -8.939 -3.125 298 HE2 PHE 36 HE2 PHE 36 -2.678 -4.762 -3.275 299 HZ PHE 36 HZ PHE 36 -4.346 -6.577 -3.371 300 HA PRO 37 HA PRO 37 4.635 -8.813 1.070 301 1HB PRO 37 1HB PRO 37 4.992 -11.364 2.060 302 2HB PRO 37 2HB PRO 37 4.092 -10.063 2.890 303 1HG PRO 37 1HG PRO 37 2.954 -12.276 1.169 304 2HG PRO 37 2HG PRO 37 2.401 -11.745 2.787 305 1HD PRO 37 1HD PRO 37 1.171 -10.895 0.541 306 2HD PRO 37 2HD PRO 37 1.435 -9.749 1.881 307 H SER 38 H SER 38 3.436 -11.153 -1.287 308 HA SER 38 HA SER 38 5.853 -12.323 -2.253 309 1HB SER 38 1HB SER 38 4.243 -12.380 -4.342 310 2HB SER 38 2HB SER 38 3.786 -13.293 -2.888 311 HG SER 38 HG SER 38 2.057 -11.962 -3.667 312 H LEU 39 H LEU 39 3.873 -9.529 -3.164 313 HA LEU 39 HA LEU 39 5.776 -8.528 -5.112 314 1HB LEU 39 1HB LEU 39 3.276 -7.365 -3.882 315 2HB LEU 39 2HB LEU 39 4.182 -6.584 -5.197 316 HG LEU 39 HG LEU 39 2.863 -9.336 -5.320 317 1HD1 LEU 39 3HD1 LEU 39 1.259 -7.406 -5.329 318 2HD1 LEU 39 1HD1 LEU 39 2.121 -6.746 -6.738 319 3HD1 LEU 39 2HD1 LEU 39 1.284 -8.300 -6.862 320 1HD2 LEU 39 3HD2 LEU 39 4.370 -7.761 -7.453 321 2HD2 LEU 39 1HD2 LEU 39 4.764 -9.384 -6.834 322 3HD2 LEU 39 2HD2 LEU 39 3.311 -9.144 -7.796 323 H LEU 40 H LEU 40 5.175 -7.893 -1.687 324 HA LEU 40 HA LEU 40 6.851 -5.618 -1.439 325 1HB LEU 40 1HB LEU 40 5.512 -6.641 0.477 326 2HB LEU 40 2HB LEU 40 6.726 -7.919 0.535 327 HG LEU 40 HG LEU 40 8.493 -6.059 0.872 328 1HD1 LEU 40 1HD1 LEU 40 5.967 -4.510 1.566 329 2HD1 LEU 40 2HD1 LEU 40 7.626 -4.005 1.943 330 3HD1 LEU 40 3HD1 LEU 40 7.098 -4.113 0.258 331 1HD2 LEU 40 3HD2 LEU 40 6.412 -6.706 2.969 332 2HD2 LEU 40 1HD2 LEU 40 7.883 -7.621 2.602 333 3HD2 LEU 40 2HD2 LEU 40 8.011 -5.996 3.298 334 H LYS 41 H LYS 41 7.697 -9.087 -1.319 335 HA LYS 41 HA LYS 41 10.538 -8.708 -1.260 336 1HB LYS 41 1HB LYS 41 8.835 -11.007 -2.263 337 2HB LYS 41 2HB LYS 41 10.586 -11.033 -2.123 338 1HG LYS 41 1HG LYS 41 8.656 -10.570 0.199 339 2HG LYS 41 2HG LYS 41 9.429 -12.094 -0.237 340 1HD LYS 41 1HD LYS 41 11.680 -11.017 0.115 341 2HD LYS 41 2HD LYS 41 10.842 -9.576 0.735 342 1HE LYS 41 1HE LYS 41 9.753 -10.953 2.487 343 2HE LYS 41 2HE LYS 41 10.610 -12.389 1.893 344 1HZ LYS 41 1HZ LYS 41 11.873 -9.963 2.960 345 2HZ LYS 41 2HZ LYS 41 11.715 -11.402 3.748 346 3HZ LYS 41 3HZ LYS 41 12.667 -11.297 2.407 347 H GLY 42 H GLY 42 8.398 -9.563 -3.954 348 1HA GLY 42 1HA GLY 42 8.244 -8.839 -6.099 349 2HA GLY 42 2HA GLY 42 9.217 -7.444 -5.629 350 H GLY 43 H GLY 43 11.656 -8.176 -5.272 351 1HA GLY 43 1HA GLY 43 13.479 -9.524 -6.352 352 2HA GLY 43 2HA GLY 43 12.595 -9.322 -7.885 353 H SER 44 H SER 44 12.078 -7.053 -8.567 354 HA SER 44 HA SER 44 14.146 -5.131 -8.161 355 1HB SER 44 1HB SER 44 11.288 -4.506 -8.969 356 2HB SER 44 2HB SER 44 12.809 -3.752 -9.511 357 HG SER 44 HG SER 44 11.943 -5.216 -11.082 358 H THR 45 H THR 45 14.125 -3.279 -6.716 359 HA THR 45 HA THR 45 12.776 -3.964 -4.223 360 HB THR 45 HB THR 45 14.083 -2.245 -3.202 361 HG1 THR 45 HG1 THR 45 14.971 -1.460 -5.768 362 1HG2 THR 45 3HG2 THR 45 15.265 -4.355 -3.791 363 2HG2 THR 45 1HG2 THR 45 15.833 -3.610 -5.298 364 3HG2 THR 45 2HG2 THR 45 16.340 -2.945 -3.736 365 H LEU 46 H LEU 46 11.794 -2.174 -2.893 366 HA LEU 46 HA LEU 46 9.361 -1.367 -3.772 367 1HB LEU 46 1HB LEU 46 10.080 -1.281 -1.425 368 2HB LEU 46 2HB LEU 46 11.240 0.000 -1.806 369 HG LEU 46 HG LEU 46 9.384 1.553 -2.337 370 1HD1 LEU 46 1HD1 LEU 46 7.595 -0.742 -1.394 371 2HD1 LEU 46 2HD1 LEU 46 7.060 0.931 -1.654 372 3HD1 LEU 46 3HD1 LEU 46 7.614 -0.036 -3.026 373 1HD2 LEU 46 1HD2 LEU 46 10.349 1.482 -0.082 374 2HD2 LEU 46 2HD2 LEU 46 8.618 1.858 -0.019 375 3HD2 LEU 46 3HD2 LEU 46 9.187 0.225 0.391 376 H ASP 47 H ASP 47 12.326 0.573 -4.010 377 HA ASP 47 HA ASP 47 11.173 2.897 -5.105 378 1HB ASP 47 1HB ASP 47 13.948 1.687 -5.468 379 2HB ASP 47 2HB ASP 47 13.485 3.320 -5.954 380 H GLU 48 H GLU 48 12.497 0.051 -6.774 381 HA GLU 48 HA GLU 48 11.976 1.056 -9.439 382 1HB GLU 48 1HB GLU 48 12.328 -1.791 -8.423 383 2HB GLU 48 2HB GLU 48 12.092 -1.346 -10.121 384 1HG GLU 48 1HG GLU 48 14.405 -1.568 -9.964 385 2HG GLU 48 2HG GLU 48 14.153 0.178 -9.893 386 H LEU 49 H LEU 49 10.180 -1.032 -7.193 387 HA LEU 49 HA LEU 49 7.957 -1.511 -8.929 388 1HB LEU 49 1HB LEU 49 8.030 -1.342 -5.893 389 2HB LEU 49 2HB LEU 49 6.683 -1.985 -6.834 390 HG LEU 49 HG LEU 49 9.504 -3.162 -6.851 391 1HD1 LEU 49 3HD1 LEU 49 8.412 -3.389 -4.642 392 2HD1 LEU 49 1HD1 LEU 49 6.990 -4.116 -5.421 393 3HD1 LEU 49 2HD1 LEU 49 8.560 -4.947 -5.464 394 1HD2 LEU 49 3HD2 LEU 49 6.873 -4.186 -8.004 395 2HD2 LEU 49 1HD2 LEU 49 8.320 -3.710 -8.925 396 3HD2 LEU 49 2HD2 LEU 49 8.371 -5.129 -7.877 397 H PHE 50 H PHE 50 8.565 1.082 -6.598 398 HA PHE 50 HA PHE 50 6.106 2.443 -6.856 399 1HB PHE 50 1HB PHE 50 7.821 2.826 -5.102 400 2HB PHE 50 2HB PHE 50 8.887 3.555 -6.290 401 HD1 PHE 50 HD1 PHE 50 5.717 3.923 -4.441 402 HD2 PHE 50 HD2 PHE 50 8.537 5.866 -7.048 403 HE1 PHE 50 HE1 PHE 50 4.789 6.136 -3.792 404 HE2 PHE 50 HE2 PHE 50 7.666 8.079 -6.336 405 HZ PHE 50 HZ PHE 50 5.913 8.209 -4.584 406 H GLU 51 H GLU 51 9.214 2.992 -8.622 407 HA GLU 51 HA GLU 51 8.168 4.982 -10.375 408 1HB GLU 51 1HB GLU 51 10.394 2.942 -10.818 409 2HB GLU 51 2HB GLU 51 10.058 4.314 -11.882 410 1HG GLU 51 1HG GLU 51 10.846 4.544 -8.938 411 2HG GLU 51 2HG GLU 51 11.913 4.793 -10.321 412 H GLU 52 H GLU 52 8.339 1.459 -10.759 413 HA GLU 52 HA GLU 52 7.227 1.289 -13.340 414 1HB GLU 52 1HB GLU 52 8.343 -0.579 -12.164 415 2HB GLU 52 2HB GLU 52 7.017 -0.653 -11.003 416 1HG GLU 52 1HG GLU 52 6.803 -2.445 -12.603 417 2HG GLU 52 2HG GLU 52 5.444 -1.332 -12.770 418 H LEU 53 H LEU 53 5.606 1.381 -10.178 419 HA LEU 53 HA LEU 53 2.947 1.097 -11.246 420 1HB LEU 53 1HB LEU 53 4.035 2.115 -8.606 421 2HB LEU 53 2HB LEU 53 2.319 1.906 -8.954 422 HG LEU 53 HG LEU 53 4.298 -0.401 -9.131 423 1HD1 LEU 53 3HD1 LEU 53 4.227 0.554 -6.837 424 2HD1 LEU 53 1HD1 LEU 53 2.455 0.396 -6.844 425 3HD1 LEU 53 2HD1 LEU 53 3.487 -1.052 -6.914 426 1HD2 LEU 53 3HD2 LEU 53 1.265 -0.307 -9.029 427 2HD2 LEU 53 1HD2 LEU 53 2.277 -0.823 -10.397 428 3HD2 LEU 53 2HD2 LEU 53 2.274 -1.773 -8.919 429 H ASP 54 H ASP 54 4.885 3.909 -10.256 430 HA ASP 54 HA ASP 54 2.778 5.792 -10.940 431 1HB ASP 54 1HB ASP 54 4.400 6.283 -9.143 432 2HB ASP 54 2HB ASP 54 5.697 6.281 -10.327 433 H LYS 55 H LYS 55 2.715 4.513 -13.128 434 HA LYS 55 HA LYS 55 4.492 4.770 -15.213 435 1HB LYS 55 1HB LYS 55 1.468 4.816 -15.099 436 2HB LYS 55 2HB LYS 55 2.289 4.949 -16.653 437 1HG LYS 55 1HG LYS 55 3.036 2.712 -14.752 438 2HG LYS 55 2HG LYS 55 1.597 2.594 -15.777 439 1HD LYS 55 1HD LYS 55 2.857 2.896 -17.805 440 2HD LYS 55 2HD LYS 55 4.353 3.232 -16.927 441 1HE LYS 55 1HE LYS 55 2.852 0.583 -16.710 442 2HE LYS 55 2HE LYS 55 4.137 0.890 -17.890 443 1HZ LYS 55 1HZ LYS 55 4.470 1.093 -14.979 444 2HZ LYS 55 2HZ LYS 55 4.983 -0.154 -15.924 445 3HZ LYS 55 3HZ LYS 55 5.631 1.347 -16.115 446 H ASN 56 H ASN 56 2.102 7.210 -14.261 447 HA ASN 56 HA ASN 56 2.939 8.996 -16.411 448 1HB ASN 56 1HB ASN 56 1.213 10.336 -15.932 449 2HB ASN 56 2HB ASN 56 0.579 8.833 -15.269 450 1HD2 ASN 56 1HD2 ASN 56 1.220 10.034 -11.821 451 2HD2 ASN 56 2HD2 ASN 56 1.579 8.633 -12.811 452 H GLY 57 H GLY 57 4.465 8.269 -13.504 453 1HA GLY 57 1HA GLY 57 6.254 9.158 -12.471 454 2HA GLY 57 2HA GLY 57 6.526 10.038 -13.978 455 H ASP 58 H ASP 58 3.717 10.514 -11.737 456 HA ASP 58 HA ASP 58 4.308 13.342 -11.660 457 1HB ASP 58 1HB ASP 58 2.332 13.553 -10.403 458 2HB ASP 58 2HB ASP 58 2.012 12.436 -11.718 459 H GLY 59 H GLY 59 5.109 10.602 -9.596 460 1HA GLY 59 1HA GLY 59 7.065 11.106 -8.145 461 2HA GLY 59 2HA GLY 59 6.149 12.460 -7.468 462 H GLU 60 H GLU 60 3.603 10.589 -7.698 463 HA GLU 60 HA GLU 60 4.185 8.383 -5.977 464 1HB GLU 60 1HB GLU 60 3.741 9.088 -4.000 465 2HB GLU 60 2HB GLU 60 3.860 10.741 -4.617 466 1HG GLU 60 1HG GLU 60 1.487 10.719 -5.064 467 2HG GLU 60 2HG GLU 60 1.364 9.058 -4.409 468 H VAL 61 H VAL 61 2.398 6.911 -5.655 469 HA VAL 61 HA VAL 61 1.493 6.583 -8.388 470 HB VAL 61 HB VAL 61 1.007 4.743 -6.033 471 1HG1 VAL 61 3HG1 VAL 61 -0.270 4.295 -8.196 472 2HG1 VAL 61 1HG1 VAL 61 1.313 4.123 -8.990 473 3HG1 VAL 61 2HG1 VAL 61 0.824 3.009 -7.690 474 1HG2 VAL 61 3HG2 VAL 61 3.375 4.823 -7.954 475 2HG2 VAL 61 1HG2 VAL 61 3.453 5.152 -6.211 476 3HG2 VAL 61 2HG2 VAL 61 3.050 3.536 -6.806 477 H SER 62 H SER 62 -0.431 7.197 -9.229 478 HA SER 62 HA SER 62 -2.737 7.863 -7.591 479 1HB SER 62 1HB SER 62 -3.021 7.380 -10.551 480 2HB SER 62 2HB SER 62 -3.721 8.635 -9.530 481 HG SER 62 HG SER 62 -1.020 8.492 -10.463 482 H PHE 63 H PHE 63 -4.766 6.722 -7.486 483 HA PHE 63 HA PHE 63 -4.725 3.948 -7.407 484 1HB PHE 63 1HB PHE 63 -6.492 5.283 -6.368 485 2HB PHE 63 2HB PHE 63 -7.115 5.743 -7.955 486 HD1 PHE 63 HD1 PHE 63 -6.267 2.636 -5.998 487 HD2 PHE 63 HD2 PHE 63 -8.924 4.457 -8.855 488 HE1 PHE 63 HE1 PHE 63 -7.580 0.552 -6.086 489 HE2 PHE 63 HE2 PHE 63 -10.236 2.355 -8.947 490 HZ PHE 63 HZ PHE 63 -9.567 0.395 -7.537 491 H GLU 64 H GLU 64 -5.275 5.889 -10.287 492 HA GLU 64 HA GLU 64 -6.335 3.745 -11.884 493 1HB GLU 64 1HB GLU 64 -4.897 6.322 -12.723 494 2HB GLU 64 2HB GLU 64 -5.765 5.219 -13.790 495 1HG GLU 64 1HG GLU 64 -7.209 7.080 -13.295 496 2HG GLU 64 2HG GLU 64 -7.869 5.630 -12.531 497 H GLU 65 H GLU 65 -3.059 5.272 -11.973 498 HA GLU 65 HA GLU 65 -1.956 3.162 -13.535 499 1HB GLU 65 1HB GLU 65 0.195 4.178 -13.107 500 2HB GLU 65 2HB GLU 65 -1.030 5.377 -13.538 501 1HG GLU 65 1HG GLU 65 -1.326 5.773 -11.006 502 2HG GLU 65 2HG GLU 65 0.125 4.798 -10.786 503 H PHE 66 H PHE 66 -2.352 3.470 -10.013 504 HA PHE 66 HA PHE 66 -0.787 1.338 -9.087 505 1HB PHE 66 1HB PHE 66 -1.932 2.639 -7.522 506 2HB PHE 66 2HB PHE 66 -3.439 2.471 -8.405 507 HD1 PHE 66 HD1 PHE 66 -1.149 0.525 -6.164 508 HD2 PHE 66 HD2 PHE 66 -5.053 0.922 -7.904 509 HE1 PHE 66 HE1 PHE 66 -2.045 -1.179 -4.583 510 HE2 PHE 66 HE2 PHE 66 -5.872 -1.008 -6.583 511 HZ PHE 66 HZ PHE 66 -4.392 -1.974 -4.804 512 H GLN 67 H GLN 67 -3.710 1.128 -11.158 513 HA GLN 67 HA GLN 67 -4.221 -1.627 -10.698 514 1HB GLN 67 1HB GLN 67 -4.538 -0.149 -13.334 515 2HB GLN 67 2HB GLN 67 -5.238 -1.710 -12.900 516 1HG GLN 67 1HG GLN 67 -6.027 1.016 -11.844 517 2HG GLN 67 2HG GLN 67 -6.997 -0.182 -12.674 518 1HE2 GLN 67 1HE2 GLN 67 -6.983 -0.073 -8.678 519 2HE2 GLN 67 2HE2 GLN 67 -6.391 1.223 -9.698 520 H VAL 68 H VAL 68 -1.439 -0.206 -12.288 521 HA VAL 68 HA VAL 68 -0.508 -2.436 -13.761 522 HB VAL 68 HB VAL 68 0.945 -0.290 -12.197 523 1HG1 VAL 68 1HG1 VAL 68 2.085 -2.335 -14.148 524 2HG1 VAL 68 2HG1 VAL 68 2.940 -0.882 -13.588 525 3HG1 VAL 68 3HG1 VAL 68 2.525 -2.151 -12.435 526 1HG2 VAL 68 1HG2 VAL 68 -0.432 0.429 -14.211 527 2HG2 VAL 68 2HG2 VAL 68 1.305 0.698 -14.400 528 3HG2 VAL 68 3HG2 VAL 68 0.526 -0.681 -15.201 529 H LEU 69 H LEU 69 -0.713 -1.904 -10.258 530 HA LEU 69 HA LEU 69 1.021 -4.076 -9.519 531 1HB LEU 69 1HB LEU 69 0.189 -2.140 -8.004 532 2HB LEU 69 2HB LEU 69 -1.363 -2.962 -7.975 533 HG LEU 69 HG LEU 69 -0.138 -5.016 -7.037 534 1HD1 LEU 69 1HD1 LEU 69 2.069 -2.938 -6.647 535 2HD1 LEU 69 2HD1 LEU 69 2.023 -4.539 -5.898 536 3HD1 LEU 69 3HD1 LEU 69 2.196 -4.397 -7.651 537 1HD2 LEU 69 3HD2 LEU 69 -0.104 -2.426 -5.436 538 2HD2 LEU 69 1HD2 LEU 69 -1.498 -3.516 -5.645 539 3HD2 LEU 69 2HD2 LEU 69 -0.065 -4.068 -4.761 540 H VAL 70 H VAL 70 -2.487 -3.709 -10.187 541 HA VAL 70 HA VAL 70 -3.197 -6.389 -9.425 542 HB VAL 70 HB VAL 70 -4.645 -4.511 -11.359 543 1HG1 VAL 70 1HG1 VAL 70 -5.612 -6.887 -9.709 544 2HG1 VAL 70 2HG1 VAL 70 -6.640 -5.804 -10.672 545 3HG1 VAL 70 3HG1 VAL 70 -5.456 -6.840 -11.478 546 1HG2 VAL 70 3HG2 VAL 70 -4.791 -4.843 -8.345 547 2HG2 VAL 70 1HG2 VAL 70 -4.324 -3.367 -9.199 548 3HG2 VAL 70 2HG2 VAL 70 -5.990 -3.941 -9.305 549 H LYS 71 H LYS 71 -2.194 -4.836 -12.482 550 HA LYS 71 HA LYS 71 -2.278 -7.161 -14.108 551 1HB LYS 71 1HB LYS 71 -1.879 -5.147 -15.231 552 2HB LYS 71 2HB LYS 71 -0.617 -4.649 -14.118 553 1HG LYS 71 1HG LYS 71 0.953 -6.280 -15.024 554 2HG LYS 71 2HG LYS 71 -0.286 -6.877 -16.142 555 1HD LYS 71 1HD LYS 71 -0.429 -4.621 -17.177 556 2HD LYS 71 2HD LYS 71 0.801 -4.028 -16.044 557 1HE LYS 71 1HE LYS 71 2.432 -5.683 -16.954 558 2HE LYS 71 2HE LYS 71 1.200 -6.264 -18.091 559 1HZ LYS 71 3HZ LYS 71 1.149 -4.080 -19.053 560 2HZ LYS 71 1HZ LYS 71 2.293 -3.540 -17.996 561 3HZ LYS 71 2HZ LYS 71 2.674 -4.701 -19.101 562 H LYS 72 H LYS 72 0.391 -6.008 -12.049 563 HA LYS 72 HA LYS 72 2.043 -8.293 -12.428 564 1HB LYS 72 1HB LYS 72 1.900 -6.161 -10.310 565 2HB LYS 72 2HB LYS 72 2.736 -7.660 -9.916 566 1HG LYS 72 1HG LYS 72 4.372 -6.162 -10.725 567 2HG LYS 72 2HG LYS 72 4.159 -7.435 -11.931 568 1HD LYS 72 1HD LYS 72 2.673 -5.855 -13.240 569 2HD LYS 72 2HD LYS 72 3.014 -4.608 -12.024 570 1HE LYS 72 1HE LYS 72 5.435 -4.748 -12.553 571 2HE LYS 72 2HE LYS 72 5.103 -6.002 -13.763 572 1HZ LYS 72 1HZ LYS 72 4.077 -3.255 -13.827 573 2HZ LYS 72 2HZ LYS 72 5.308 -3.834 -14.745 574 3HZ LYS 72 3HZ LYS 72 3.781 -4.417 -14.957 575 H ILE 73 H ILE 73 -0.583 -7.831 -10.079 576 HA ILE 73 HA ILE 73 -0.237 -10.340 -8.758 577 HB ILE 73 HB ILE 73 -2.778 -8.717 -9.150 578 1HG1 ILE 73 1HG1 ILE 73 -0.953 -9.031 -6.723 579 2HG1 ILE 73 2HG1 ILE 73 -0.931 -7.650 -7.822 580 1HG2 ILE 73 1HG2 ILE 73 -2.277 -11.086 -7.301 581 2HG2 ILE 73 2HG2 ILE 73 -3.738 -10.077 -7.317 582 3HG2 ILE 73 3HG2 ILE 73 -3.368 -11.082 -8.700 583 1HD1 ILE 73 3HD1 ILE 73 -3.342 -7.202 -7.239 584 2HD1 ILE 73 1HD1 ILE 73 -3.186 -8.425 -5.958 585 3HD1 ILE 73 2HD1 ILE 73 -2.167 -6.982 -5.930 586 H SER 74 H SER 74 -2.408 -9.494 -11.448 587 HA SER 74 HA SER 74 -2.261 -12.083 -12.735 588 1HB SER 74 1HB SER 74 -4.671 -11.481 -10.965 589 2HB SER 74 2HB SER 74 -4.724 -12.631 -12.304 590 HG SER 74 HG SER 74 -2.663 -12.973 -10.467 591 H GLN 75 H GLN 75 -1.760 -10.079 -14.188 592 HA GLN 75 HA GLN 75 -3.744 -8.534 -15.352 593 1HB GLN 75 1HB GLN 75 -1.216 -8.905 -15.967 594 2HB GLN 75 2HB GLN 75 -1.810 -10.135 -17.073 595 1HG GLN 75 1HG GLN 75 -2.593 -7.175 -17.072 596 2HG GLN 75 2HG GLN 75 -1.446 -7.950 -18.167 597 1HE2 GLN 75 1HE2 GLN 75 -5.446 -8.290 -18.898 598 2HE2 GLN 75 2HE2 GLN 75 -4.884 -7.491 -17.441 No H/Q in entry = 598 Start of MODEL 8 Raw file had 599 H/Q atoms Start of MODEL 8 1 1H LYS 1 1H LYS 1 -8.069 -11.267 -4.960 2 2H LYS 1 2H LYS 1 -6.757 -10.286 -4.578 3 3H LYS 1 3H LYS 1 -7.375 -11.349 -3.430 4 HA LYS 1 HA LYS 1 -9.402 -10.147 -3.287 5 1HB LYS 1 1HB LYS 1 -6.955 -8.384 -2.997 6 2HB LYS 1 2HB LYS 1 -8.563 -8.124 -2.299 7 1HG LYS 1 1HG LYS 1 -8.329 -10.599 -1.422 8 2HG LYS 1 2HG LYS 1 -6.607 -10.374 -1.676 9 1HD LYS 1 1HD LYS 1 -8.441 -8.549 -0.050 10 2HD LYS 1 2HD LYS 1 -7.582 -9.916 0.657 11 1HE LYS 1 1HE LYS 1 -6.230 -7.510 -0.646 12 2HE LYS 1 2HE LYS 1 -6.374 -7.807 1.095 13 1HZ LYS 1 3HZ LYS 1 -5.130 -9.838 0.781 14 2HZ LYS 1 1HZ LYS 1 -4.915 -9.486 -0.815 15 3HZ LYS 1 2HZ LYS 1 -4.255 -8.525 0.342 16 H SER 2 H SER 2 -10.852 -8.759 -4.202 17 HA SER 2 HA SER 2 -10.675 -8.492 -7.016 18 1HB SER 2 1HB SER 2 -12.914 -7.402 -6.756 19 2HB SER 2 2HB SER 2 -12.785 -8.878 -5.796 20 HG SER 2 HG SER 2 -12.588 -7.688 -3.975 21 HA PRO 3 HA PRO 3 -9.227 -4.262 -7.751 22 1HB PRO 3 1HB PRO 3 -11.918 -3.936 -9.095 23 2HB PRO 3 2HB PRO 3 -10.322 -3.332 -9.630 24 1HG PRO 3 1HG PRO 3 -11.300 -5.598 -10.727 25 2HG PRO 3 2HG PRO 3 -9.598 -5.566 -10.173 26 1HD PRO 3 1HD PRO 3 -12.005 -6.718 -8.752 27 2HD PRO 3 2HD PRO 3 -10.375 -7.422 -8.966 28 H GLU 4 H GLU 4 -12.592 -4.802 -6.622 29 HA GLU 4 HA GLU 4 -12.987 -2.232 -5.467 30 1HB GLU 4 1HB GLU 4 -14.794 -3.865 -6.045 31 2HB GLU 4 2HB GLU 4 -14.257 -4.902 -4.710 32 1HG GLU 4 1HG GLU 4 -14.775 -3.076 -3.097 33 2HG GLU 4 2HG GLU 4 -15.266 -2.033 -4.442 34 H GLU 5 H GLU 5 -11.719 -5.285 -4.139 35 HA GLU 5 HA GLU 5 -11.451 -4.291 -1.421 36 1HB GLU 5 1HB GLU 5 -10.175 -6.590 -2.949 37 2HB GLU 5 2HB GLU 5 -9.758 -6.215 -1.271 38 1HG GLU 5 1HG GLU 5 -11.949 -6.653 -0.475 39 2HG GLU 5 2HG GLU 5 -12.658 -6.598 -2.089 40 H LEU 6 H LEU 6 -9.308 -4.546 -4.234 41 HA LEU 6 HA LEU 6 -7.030 -3.335 -3.090 42 1HB LEU 6 1HB LEU 6 -8.016 -3.552 -5.951 43 2HB LEU 6 2HB LEU 6 -6.509 -2.811 -5.533 44 HG LEU 6 HG LEU 6 -7.165 -5.531 -4.340 45 1HD1 LEU 6 3HD1 LEU 6 -7.550 -5.854 -6.753 46 2HD1 LEU 6 1HD1 LEU 6 -5.909 -5.250 -7.074 47 3HD1 LEU 6 2HD1 LEU 6 -6.139 -6.732 -6.124 48 1HD2 LEU 6 3HD2 LEU 6 -4.573 -4.163 -5.262 49 2HD2 LEU 6 1HD2 LEU 6 -5.087 -4.358 -3.571 50 3HD2 LEU 6 2HD2 LEU 6 -4.656 -5.770 -4.557 51 H LYS 7 H LYS 7 -9.825 -1.800 -4.703 52 HA LYS 7 HA LYS 7 -8.868 0.856 -4.450 53 1HB LYS 7 1HB LYS 7 -10.859 0.168 -5.779 54 2HB LYS 7 2HB LYS 7 -11.754 -0.139 -4.309 55 1HG LYS 7 1HG LYS 7 -12.359 1.997 -5.317 56 2HG LYS 7 2HG LYS 7 -11.760 2.181 -3.669 57 1HD LYS 7 1HD LYS 7 -9.589 2.985 -4.471 58 2HD LYS 7 2HD LYS 7 -10.043 2.655 -6.150 59 1HE LYS 7 1HE LYS 7 -11.454 4.660 -4.329 60 2HE LYS 7 2HE LYS 7 -10.180 5.063 -5.490 61 1HZ LYS 7 3HZ LYS 7 -11.573 4.220 -7.234 62 2HZ LYS 7 1HZ LYS 7 -12.780 3.884 -6.162 63 3HZ LYS 7 2HZ LYS 7 -12.315 5.443 -6.415 64 H GLY 8 H GLY 8 -10.887 -1.055 -2.252 65 1HA GLY 8 1HA GLY 8 -11.275 0.893 -0.210 66 2HA GLY 8 2HA GLY 8 -11.227 -0.861 0.063 67 H ILE 9 H ILE 9 -8.781 -1.591 -0.536 68 HA ILE 9 HA ILE 9 -7.040 -0.917 1.595 69 HB ILE 9 HB ILE 9 -6.720 -2.255 -1.109 70 1HG1 ILE 9 1HG1 ILE 9 -6.782 -3.314 1.758 71 2HG1 ILE 9 2HG1 ILE 9 -8.154 -3.318 0.646 72 1HG2 ILE 9 3HG2 ILE 9 -4.524 -1.338 -0.529 73 2HG2 ILE 9 1HG2 ILE 9 -4.631 -2.111 1.065 74 3HG2 ILE 9 2HG2 ILE 9 -4.522 -3.086 -0.416 75 1HD1 ILE 9 3HD1 ILE 9 -6.815 -4.752 -0.930 76 2HD1 ILE 9 1HD1 ILE 9 -5.570 -4.878 0.337 77 3HD1 ILE 9 2HD1 ILE 9 -7.198 -5.501 0.636 78 H PHE 10 H PHE 10 -6.929 0.126 -1.858 79 HA PHE 10 HA PHE 10 -4.681 1.761 -1.721 80 1HB PHE 10 1HB PHE 10 -5.903 1.192 -3.813 81 2HB PHE 10 2HB PHE 10 -7.247 2.180 -3.305 82 HD1 PHE 10 HD1 PHE 10 -7.087 4.658 -3.178 83 HD2 PHE 10 HD2 PHE 10 -3.863 2.220 -4.699 84 HE1 PHE 10 HE1 PHE 10 -5.838 6.683 -3.782 85 HE2 PHE 10 HE2 PHE 10 -2.658 4.275 -5.392 86 HZ PHE 10 HZ PHE 10 -3.562 6.492 -4.752 87 H GLU 11 H GLU 11 -8.103 2.609 -1.062 88 HA GLU 11 HA GLU 11 -7.624 5.348 -0.395 89 1HB GLU 11 1HB GLU 11 -9.864 3.435 0.376 90 2HB GLU 11 2HB GLU 11 -9.866 5.166 0.746 91 1HG GLU 11 1HG GLU 11 -9.768 5.755 -1.609 92 2HG GLU 11 2HG GLU 11 -9.589 4.066 -2.089 93 H LYS 12 H LYS 12 -7.958 2.439 1.708 94 HA LYS 12 HA LYS 12 -7.536 3.625 4.204 95 1HB LYS 12 1HB LYS 12 -8.161 1.366 4.112 96 2HB LYS 12 2HB LYS 12 -6.813 0.897 3.076 97 1HG LYS 12 1HG LYS 12 -5.207 1.070 4.797 98 2HG LYS 12 2HG LYS 12 -6.356 1.908 5.886 99 1HD LYS 12 1HD LYS 12 -7.788 -0.243 5.730 100 2HD LYS 12 2HD LYS 12 -6.373 -1.014 5.001 101 1HE LYS 12 1HE LYS 12 -6.536 0.317 7.755 102 2HE LYS 12 2HE LYS 12 -6.511 -1.425 7.446 103 1HZ LYS 12 1HZ LYS 12 -4.333 0.424 6.769 104 2HZ LYS 12 2HZ LYS 12 -4.380 -0.551 8.095 105 3HZ LYS 12 3HZ LYS 12 -4.315 -1.218 6.595 106 H TYR 13 H TYR 13 -4.968 2.239 2.086 107 HA TYR 13 HA TYR 13 -2.931 3.134 3.966 108 1HB TYR 13 1HB TYR 13 -2.838 1.800 1.270 109 2HB TYR 13 2HB TYR 13 -1.385 2.276 2.152 110 HD1 TYR 13 HD1 TYR 13 -1.058 1.470 4.522 111 HD2 TYR 13 HD2 TYR 13 -4.163 -0.142 2.073 112 HE1 TYR 13 HE1 TYR 13 -1.227 -0.528 6.023 113 HE2 TYR 13 HE2 TYR 13 -4.299 -2.132 3.459 114 HH TYR 13 HH TYR 13 -3.573 -3.159 5.432 115 H ALA 14 H ALA 14 -4.251 4.439 0.953 116 HA ALA 14 HA ALA 14 -2.241 6.488 0.639 117 1HB ALA 14 3HB ALA 14 -3.765 5.766 -1.180 118 2HB ALA 14 1HB ALA 14 -5.140 6.439 -0.276 119 3HB ALA 14 2HB ALA 14 -3.852 7.498 -0.892 120 H ALA 15 H ALA 15 -5.396 6.401 2.264 121 HA ALA 15 HA ALA 15 -5.322 9.089 3.258 122 1HB ALA 15 3HB ALA 15 -7.400 7.704 3.171 123 2HB ALA 15 1HB ALA 15 -6.712 6.636 4.424 124 3HB ALA 15 2HB ALA 15 -7.079 8.327 4.805 125 H LYS 16 H LYS 16 -3.973 6.024 4.486 126 HA LYS 16 HA LYS 16 -3.331 6.937 7.076 127 1HB LYS 16 1HB LYS 16 -3.225 4.560 6.300 128 2HB LYS 16 2HB LYS 16 -1.815 4.982 5.331 129 1HG LYS 16 1HG LYS 16 -0.830 5.825 7.669 130 2HG LYS 16 2HG LYS 16 -2.112 4.828 8.337 131 1HD LYS 16 1HD LYS 16 -0.012 3.597 8.234 132 2HD LYS 16 2HD LYS 16 -1.194 2.843 7.158 133 1HE LYS 16 1HE LYS 16 1.185 3.046 6.265 134 2HE LYS 16 2HE LYS 16 -0.061 3.678 5.190 135 1HZ LYS 16 1HZ LYS 16 1.532 5.352 7.013 136 2HZ LYS 16 2HZ LYS 16 1.855 5.115 5.413 137 3HZ LYS 16 3HZ LYS 16 0.462 5.863 5.866 138 H GLU 17 H GLU 17 -2.652 9.111 6.785 139 HA GLU 17 HA GLU 17 -1.048 10.653 7.163 140 1HB GLU 17 1HB GLU 17 1.035 8.706 6.123 141 2HB GLU 17 2HB GLU 17 1.338 10.265 6.877 142 1HG GLU 17 1HG GLU 17 0.474 9.533 9.005 143 2HG GLU 17 2HG GLU 17 -0.150 8.028 8.327 144 H GLY 18 H GLY 18 -0.886 8.901 4.088 145 1HA GLY 18 1HA GLY 18 -0.003 11.211 2.549 146 2HA GLY 18 2HA GLY 18 -0.612 9.673 1.925 147 H ASP 19 H ASP 19 -1.565 11.277 0.379 148 HA ASP 19 HA ASP 19 -4.079 12.535 1.289 149 1HB ASP 19 1HB ASP 19 -2.682 13.728 -0.367 150 2HB ASP 19 2HB ASP 19 -2.797 12.350 -1.474 151 HA PRO 20 HA PRO 20 -6.139 8.602 0.641 152 1HB PRO 20 1HB PRO 20 -8.623 9.505 -0.316 153 2HB PRO 20 2HB PRO 20 -8.147 9.305 1.397 154 1HG PRO 20 1HG PRO 20 -8.097 11.797 -0.306 155 2HG PRO 20 2HG PRO 20 -8.637 11.636 1.391 156 1HD PRO 20 1HD PRO 20 -6.231 12.636 0.825 157 2HD PRO 20 2HD PRO 20 -6.367 11.457 2.160 158 H ASN 21 H ASN 21 -5.856 10.895 -2.032 159 HA ASN 21 HA ASN 21 -6.773 8.966 -4.045 160 1HB ASN 21 1HB ASN 21 -5.582 11.748 -4.270 161 2HB ASN 21 2HB ASN 21 -6.335 10.824 -5.562 162 1HD2 ASN 21 1HD2 ASN 21 -8.709 12.856 -2.941 163 2HD2 ASN 21 2HD2 ASN 21 -6.962 12.772 -2.702 164 H GLN 22 H GLN 22 -3.793 9.355 -2.378 165 HA GLN 22 HA GLN 22 -2.253 8.300 -4.685 166 1HB GLN 22 1HB GLN 22 -2.523 10.841 -4.773 167 2HB GLN 22 2HB GLN 22 -1.517 10.898 -3.323 168 1HG GLN 22 1HG GLN 22 0.276 9.740 -4.596 169 2HG GLN 22 2HG GLN 22 -0.794 9.581 -5.993 170 1HE2 GLN 22 1HE2 GLN 22 0.928 12.512 -7.102 171 2HE2 GLN 22 2HE2 GLN 22 0.934 10.762 -7.203 172 H LEU 23 H LEU 23 -0.858 6.741 -4.006 173 HA LEU 23 HA LEU 23 -0.267 6.449 -1.159 174 1HB LEU 23 1HB LEU 23 0.406 4.768 -3.583 175 2HB LEU 23 2HB LEU 23 0.843 4.396 -1.932 176 HG LEU 23 HG LEU 23 -2.064 4.769 -2.660 177 1HD1 LEU 23 3HD1 LEU 23 -1.083 3.022 -4.152 178 2HD1 LEU 23 1HD1 LEU 23 -0.420 2.206 -2.723 179 3HD1 LEU 23 2HD1 LEU 23 -2.173 2.311 -2.937 180 1HD2 LEU 23 1HD2 LEU 23 -1.327 4.694 -0.233 181 2HD2 LEU 23 2HD2 LEU 23 -2.417 3.371 -0.688 182 3HD2 LEU 23 3HD2 LEU 23 -0.673 3.079 -0.516 183 H SER 24 H SER 24 1.654 6.986 -0.234 184 HA SER 24 HA SER 24 3.985 7.840 -1.786 185 1HB SER 24 1HB SER 24 4.992 8.269 0.320 186 2HB SER 24 2HB SER 24 3.300 8.724 0.523 187 HG SER 24 HG SER 24 4.062 7.452 2.257 188 H LYS 25 H LYS 25 6.184 6.687 -1.127 189 HA LYS 25 HA LYS 25 6.106 3.968 -1.967 190 1HB LYS 25 1HB LYS 25 8.220 5.538 -0.379 191 2HB LYS 25 2HB LYS 25 8.451 3.882 -0.953 192 1HG LYS 25 1HG LYS 25 8.144 4.607 -3.273 193 2HG LYS 25 2HG LYS 25 7.957 6.292 -2.729 194 1HD LYS 25 1HD LYS 25 10.242 6.237 -1.776 195 2HD LYS 25 2HD LYS 25 10.427 4.545 -2.289 196 1HE LYS 25 1HE LYS 25 10.141 5.216 -4.659 197 2HE LYS 25 2HE LYS 25 9.923 6.905 -4.164 198 1HZ LYS 25 1HZ LYS 25 12.349 5.304 -3.734 199 2HZ LYS 25 2HZ LYS 25 12.138 6.459 -4.890 200 3HZ LYS 25 3HZ LYS 25 12.137 6.880 -3.297 201 H GLU 26 H GLU 26 6.295 5.500 1.211 202 HA GLU 26 HA GLU 26 6.590 3.109 2.724 203 1HB GLU 26 1HB GLU 26 5.127 5.508 3.881 204 2HB GLU 26 2HB GLU 26 6.243 4.382 4.647 205 1HG GLU 26 1HG GLU 26 7.493 6.275 4.476 206 2HG GLU 26 2HG GLU 26 8.048 5.431 3.033 207 H GLU 27 H GLU 27 3.754 5.047 1.910 208 HA GLU 27 HA GLU 27 1.808 3.400 3.179 209 1HB GLU 27 1HB GLU 27 1.670 5.173 0.743 210 2HB GLU 27 2HB GLU 27 0.241 4.455 1.503 211 1HG GLU 27 1HG GLU 27 0.427 5.705 3.467 212 2HG GLU 27 2HG GLU 27 2.158 5.959 3.302 213 H LEU 28 H LEU 28 3.087 3.216 -0.259 214 HA LEU 28 HA LEU 28 1.800 0.751 -0.836 215 1HB LEU 28 1HB LEU 28 4.384 2.026 -1.777 216 2HB LEU 28 2HB LEU 28 3.958 0.394 -2.312 217 HG LEU 28 HG LEU 28 1.940 2.576 -2.412 218 1HD1 LEU 28 1HD1 LEU 28 4.095 2.078 -4.484 219 2HD1 LEU 28 2HD1 LEU 28 2.640 3.074 -4.753 220 3HD1 LEU 28 3HD1 LEU 28 3.818 3.559 -3.518 221 1HD2 LEU 28 1HD2 LEU 28 1.217 0.213 -2.941 222 2HD2 LEU 28 2HD2 LEU 28 1.091 1.240 -4.379 223 3HD2 LEU 28 3HD2 LEU 28 2.460 0.132 -4.201 224 H LYS 29 H LYS 29 4.877 1.265 0.893 225 HA LYS 29 HA LYS 29 5.490 -1.529 0.834 226 1HB LYS 29 1HB LYS 29 7.000 0.443 1.482 227 2HB LYS 29 2HB LYS 29 6.160 0.538 3.004 228 1HG LYS 29 1HG LYS 29 6.859 -1.830 3.518 229 2HG LYS 29 2HG LYS 29 7.760 -1.864 1.990 230 1HD LYS 29 1HD LYS 29 9.134 0.070 2.784 231 2HD LYS 29 2HD LYS 29 8.251 0.066 4.318 232 1HE LYS 29 1HE LYS 29 9.941 -2.243 3.232 233 2HE LYS 29 2HE LYS 29 10.449 -1.089 4.476 234 1HZ LYS 29 3HZ LYS 29 8.648 -1.865 5.846 235 2HZ LYS 29 1HZ LYS 29 8.203 -2.966 4.703 236 3HZ LYS 29 2HZ LYS 29 9.667 -3.096 5.446 237 H LEU 30 H LEU 30 3.890 0.438 3.297 238 HA LEU 30 HA LEU 30 3.268 -1.775 5.009 239 1HB LEU 30 1HB LEU 30 2.209 1.046 4.732 240 2HB LEU 30 2HB LEU 30 1.285 -0.096 5.702 241 HG LEU 30 HG LEU 30 2.804 1.292 7.040 242 1HD1 LEU 30 3HD1 LEU 30 2.037 -0.940 7.824 243 2HD1 LEU 30 1HD1 LEU 30 3.536 -1.662 7.204 244 3HD1 LEU 30 2HD1 LEU 30 3.603 -0.454 8.493 245 1HD2 LEU 30 1HD2 LEU 30 4.718 1.480 5.496 246 2HD2 LEU 30 2HD2 LEU 30 5.208 0.891 7.091 247 3HD2 LEU 30 3HD2 LEU 30 5.092 -0.244 5.736 248 H LEU 31 H LEU 31 1.353 -0.296 2.428 249 HA LEU 31 HA LEU 31 -0.931 -1.926 2.548 250 1HB LEU 31 1HB LEU 31 -0.568 0.035 1.082 251 2HB LEU 31 2HB LEU 31 0.519 -0.903 0.068 252 HG LEU 31 HG LEU 31 -2.396 -1.547 0.529 253 1HD1 LEU 31 3HD1 LEU 31 -2.101 0.649 -0.598 254 2HD1 LEU 31 1HD1 LEU 31 -1.009 -0.096 -1.778 255 3HD1 LEU 31 2HD1 LEU 31 -2.725 -0.532 -1.755 256 1HD2 LEU 31 3HD2 LEU 31 -0.355 -2.641 -1.458 257 2HD2 LEU 31 1HD2 LEU 31 -1.362 -3.553 -0.303 258 3HD2 LEU 31 2HD2 LEU 31 -2.105 -2.793 -1.698 259 H LEU 32 H LEU 32 2.038 -2.457 0.682 260 HA LEU 32 HA LEU 32 1.379 -5.032 -0.316 261 1HB LEU 32 1HB LEU 32 4.071 -3.737 0.269 262 2HB LEU 32 2HB LEU 32 3.896 -5.286 -0.560 263 HG LEU 32 HG LEU 32 2.516 -2.790 -1.625 264 1HD1 LEU 32 3HD1 LEU 32 4.947 -2.306 -1.430 265 2HD1 LEU 32 1HD1 LEU 32 5.307 -3.812 -2.295 266 3HD1 LEU 32 2HD1 LEU 32 4.451 -2.491 -3.118 267 1HD2 LEU 32 3HD2 LEU 32 3.413 -5.412 -2.865 268 2HD2 LEU 32 1HD2 LEU 32 1.734 -4.918 -2.547 269 3HD2 LEU 32 2HD2 LEU 32 2.700 -4.046 -3.750 270 H GLN 33 H GLN 33 3.478 -4.208 2.476 271 HA GLN 33 HA GLN 33 4.033 -6.783 3.350 272 1HB GLN 33 1HB GLN 33 5.149 -4.760 4.154 273 2HB GLN 33 2HB GLN 33 3.664 -4.208 4.943 274 1HG GLN 33 1HG GLN 33 3.740 -6.056 6.528 275 2HG GLN 33 2HG GLN 33 5.121 -6.779 5.691 276 1HE2 GLN 33 1HE2 GLN 33 7.490 -4.436 7.029 277 2HE2 GLN 33 2HE2 GLN 33 7.185 -5.503 5.665 278 H THR 34 H THR 34 1.343 -4.696 4.370 279 HA THR 34 HA THR 34 0.401 -6.641 6.277 280 HB THR 34 HB THR 34 -1.105 -4.229 5.205 281 HG1 THR 34 HG1 THR 34 0.828 -3.492 5.901 282 1HG2 THR 34 1HG2 THR 34 -1.182 -5.725 7.871 283 2HG2 THR 34 2HG2 THR 34 -2.070 -4.236 7.506 284 3HG2 THR 34 3HG2 THR 34 -2.464 -5.731 6.637 285 H GLU 35 H GLU 35 -0.811 -5.609 3.003 286 HA GLU 35 HA GLU 35 -3.085 -7.434 3.289 287 1HB GLU 35 1HB GLU 35 -2.285 -5.489 1.092 288 2HB GLU 35 2HB GLU 35 -3.822 -6.336 1.247 289 1HG GLU 35 1HG GLU 35 -2.663 -4.230 3.135 290 2HG GLU 35 2HG GLU 35 -3.970 -4.012 1.977 291 H PHE 36 H PHE 36 -0.012 -7.270 1.567 292 HA PHE 36 HA PHE 36 -0.592 -9.889 0.258 293 1HB PHE 36 1HB PHE 36 0.709 -7.499 -1.080 294 2HB PHE 36 2HB PHE 36 0.430 -9.091 -1.767 295 HD1 PHE 36 HD1 PHE 36 -1.864 -9.801 -2.474 296 HD2 PHE 36 HD2 PHE 36 -1.071 -5.861 -0.920 297 HE1 PHE 36 HE1 PHE 36 -4.115 -9.030 -3.237 298 HE2 PHE 36 HE2 PHE 36 -3.379 -5.159 -1.533 299 HZ PHE 36 HZ PHE 36 -4.933 -6.795 -2.569 300 HA PRO 37 HA PRO 37 3.443 -9.537 2.655 301 1HB PRO 37 1HB PRO 37 3.223 -11.904 4.058 302 2HB PRO 37 2HB PRO 37 2.558 -10.343 4.611 303 1HG PRO 37 1HG PRO 37 1.095 -12.549 3.145 304 2HG PRO 37 2HG PRO 37 0.575 -11.679 4.620 305 1HD PRO 37 1HD PRO 37 -0.353 -10.977 2.192 306 2HD PRO 37 2HD PRO 37 0.076 -9.704 3.364 307 H SER 38 H SER 38 1.899 -11.971 0.574 308 HA SER 38 HA SER 38 4.128 -13.614 0.055 309 1HB SER 38 1HB SER 38 2.109 -12.956 -2.077 310 2HB SER 38 2HB SER 38 2.698 -14.530 -1.515 311 HG SER 38 HG SER 38 0.549 -14.180 -0.823 312 H LEU 39 H LEU 39 3.100 -10.436 -1.064 313 HA LEU 39 HA LEU 39 5.026 -10.359 -3.302 314 1HB LEU 39 1HB LEU 39 2.793 -8.545 -2.383 315 2HB LEU 39 2HB LEU 39 3.859 -8.181 -3.757 316 HG LEU 39 HG LEU 39 1.990 -10.566 -3.503 317 1HD1 LEU 39 3HD1 LEU 39 0.878 -8.332 -3.903 318 2HD1 LEU 39 1HD1 LEU 39 1.875 -8.136 -5.353 319 3HD1 LEU 39 2HD1 LEU 39 0.684 -9.451 -5.262 320 1HD2 LEU 39 3HD2 LEU 39 3.824 -9.755 -5.794 321 2HD2 LEU 39 1HD2 LEU 39 3.845 -11.288 -4.889 322 3HD2 LEU 39 2HD2 LEU 39 2.489 -10.911 -5.948 323 H LEU 40 H LEU 40 4.202 -8.673 -0.301 324 HA LEU 40 HA LEU 40 5.216 -7.151 0.982 325 1HB LEU 40 1HB LEU 40 6.025 -9.249 1.619 326 2HB LEU 40 2HB LEU 40 7.325 -9.241 0.429 327 HG LEU 40 HG LEU 40 8.450 -7.371 1.629 328 1HD1 LEU 40 1HD1 LEU 40 6.219 -7.732 3.676 329 2HD1 LEU 40 2HD1 LEU 40 7.690 -6.767 3.913 330 3HD1 LEU 40 3HD1 LEU 40 6.510 -6.276 2.692 331 1HD2 LEU 40 1HD2 LEU 40 9.017 -9.715 2.135 332 2HD2 LEU 40 2HD2 LEU 40 9.172 -8.692 3.575 333 3HD2 LEU 40 3HD2 LEU 40 7.762 -9.758 3.391 334 H LYS 41 H LYS 41 7.911 -7.821 -1.217 335 HA LYS 41 HA LYS 41 8.930 -5.072 -1.249 336 1HB LYS 41 1HB LYS 41 9.440 -7.562 -2.953 337 2HB LYS 41 2HB LYS 41 10.286 -6.025 -3.130 338 1HG LYS 41 1HG LYS 41 11.124 -6.207 -0.795 339 2HG LYS 41 2HG LYS 41 10.278 -7.758 -0.612 340 1HD LYS 41 1HD LYS 41 11.602 -8.710 -2.488 341 2HD LYS 41 2HD LYS 41 12.460 -7.167 -2.667 342 1HE LYS 41 1HE LYS 41 13.334 -7.383 -0.344 343 2HE LYS 41 2HE LYS 41 12.465 -8.919 -0.159 344 1HZ LYS 41 3HZ LYS 41 13.778 -9.807 -1.941 345 2HZ LYS 41 1HZ LYS 41 14.588 -8.382 -2.116 346 3HZ LYS 41 2HZ LYS 41 14.745 -9.255 -0.727 347 H GLY 42 H GLY 42 6.978 -7.250 -3.198 348 1HA GLY 42 1HA GLY 42 5.012 -6.232 -4.408 349 2HA GLY 42 2HA GLY 42 6.155 -5.072 -5.094 350 H GLY 43 H GLY 43 8.334 -6.434 -5.713 351 1HA GLY 43 1HA GLY 43 8.239 -9.028 -6.733 352 2HA GLY 43 2HA GLY 43 7.728 -7.965 -8.071 353 H SER 44 H SER 44 9.069 -5.838 -8.199 354 HA SER 44 HA SER 44 11.957 -6.354 -8.133 355 1HB SER 44 1HB SER 44 11.835 -3.908 -8.978 356 2HB SER 44 2HB SER 44 11.132 -5.151 -10.022 357 HG SER 44 HG SER 44 9.726 -3.352 -9.733 358 H THR 45 H THR 45 13.158 -4.260 -7.042 359 HA THR 45 HA THR 45 12.513 -4.215 -4.247 360 HB THR 45 HB THR 45 14.249 -2.231 -4.499 361 HG1 THR 45 HG1 THR 45 15.405 -2.471 -6.488 362 1HG2 THR 45 1HG2 THR 45 14.970 -5.095 -5.292 363 2HG2 THR 45 2HG2 THR 45 16.105 -3.865 -4.693 364 3HG2 THR 45 3HG2 THR 45 14.826 -4.481 -3.631 365 H LEU 46 H LEU 46 11.664 -2.437 -3.070 366 HA LEU 46 HA LEU 46 9.267 -1.565 -3.991 367 1HB LEU 46 1HB LEU 46 9.908 -1.606 -1.619 368 2HB LEU 46 2HB LEU 46 11.090 -0.318 -1.893 369 HG LEU 46 HG LEU 46 9.246 1.273 -2.412 370 1HD1 LEU 46 1HD1 LEU 46 7.442 -1.058 -1.592 371 2HD1 LEU 46 2HD1 LEU 46 6.914 0.624 -1.796 372 3HD1 LEU 46 3HD1 LEU 46 7.491 -0.290 -3.194 373 1HD2 LEU 46 1HD2 LEU 46 10.191 1.102 -0.155 374 2HD2 LEU 46 2HD2 LEU 46 8.463 1.485 -0.094 375 3HD2 LEU 46 3HD2 LEU 46 9.019 -0.171 0.251 376 H ASP 47 H ASP 47 12.240 0.373 -4.025 377 HA ASP 47 HA ASP 47 11.146 2.757 -5.050 378 1HB ASP 47 1HB ASP 47 13.910 1.536 -5.498 379 2HB ASP 47 2HB ASP 47 13.460 3.219 -5.784 380 H GLU 48 H GLU 48 12.669 0.066 -6.800 381 HA GLU 48 HA GLU 48 12.194 1.061 -9.425 382 1HB GLU 48 1HB GLU 48 12.445 -1.807 -8.431 383 2HB GLU 48 2HB GLU 48 12.505 -1.315 -10.131 384 1HG GLU 48 1HG GLU 48 14.475 -0.485 -7.942 385 2HG GLU 48 2HG GLU 48 14.767 -1.669 -9.219 386 H LEU 49 H LEU 49 10.256 -1.084 -7.355 387 HA LEU 49 HA LEU 49 8.105 -1.523 -9.113 388 1HB LEU 49 1HB LEU 49 8.494 -2.602 -6.826 389 2HB LEU 49 2HB LEU 49 7.893 -1.108 -6.112 390 HG LEU 49 HG LEU 49 5.805 -1.544 -7.743 391 1HD1 LEU 49 1HD1 LEU 49 6.932 -4.335 -7.256 392 2HD1 LEU 49 2HD1 LEU 49 5.327 -3.959 -7.919 393 3HD1 LEU 49 3HD1 LEU 49 6.786 -3.531 -8.830 394 1HD2 LEU 49 3HD2 LEU 49 6.356 -2.851 -5.067 395 2HD2 LEU 49 1HD2 LEU 49 5.582 -1.292 -5.380 396 3HD2 LEU 49 2HD2 LEU 49 4.750 -2.790 -5.832 397 H PHE 50 H PHE 50 8.554 1.073 -6.725 398 HA PHE 50 HA PHE 50 6.157 2.481 -7.137 399 1HB PHE 50 1HB PHE 50 7.786 2.815 -5.299 400 2HB PHE 50 2HB PHE 50 8.916 3.549 -6.416 401 HD1 PHE 50 HD1 PHE 50 5.668 3.964 -4.724 402 HD2 PHE 50 HD2 PHE 50 8.656 5.876 -7.150 403 HE1 PHE 50 HE1 PHE 50 5.019 6.149 -3.778 404 HE2 PHE 50 HE2 PHE 50 8.105 8.059 -6.112 405 HZ PHE 50 HZ PHE 50 6.323 8.202 -4.389 406 H GLU 51 H GLU 51 9.356 2.987 -8.729 407 HA GLU 51 HA GLU 51 8.436 4.976 -10.551 408 1HB GLU 51 1HB GLU 51 10.693 2.925 -10.746 409 2HB GLU 51 2HB GLU 51 10.312 4.052 -12.047 410 1HG GLU 51 1HG GLU 51 12.016 5.147 -10.947 411 2HG GLU 51 2HG GLU 51 10.568 5.968 -10.367 412 H GLU 52 H GLU 52 8.576 1.445 -10.930 413 HA GLU 52 HA GLU 52 7.548 1.330 -13.569 414 1HB GLU 52 1HB GLU 52 7.357 -0.671 -11.291 415 2HB GLU 52 2HB GLU 52 6.799 -1.012 -12.930 416 1HG GLU 52 1HG GLU 52 8.998 -0.784 -13.855 417 2HG GLU 52 2HG GLU 52 9.660 -0.129 -12.359 418 H LEU 53 H LEU 53 5.783 1.467 -10.477 419 HA LEU 53 HA LEU 53 3.179 1.212 -11.686 420 1HB LEU 53 1HB LEU 53 4.052 2.405 -9.024 421 2HB LEU 53 2HB LEU 53 2.394 2.100 -9.528 422 HG LEU 53 HG LEU 53 4.509 -0.030 -9.066 423 1HD1 LEU 53 3HD1 LEU 53 3.654 1.044 -7.009 424 2HD1 LEU 53 1HD1 LEU 53 1.991 0.666 -7.511 425 3HD1 LEU 53 2HD1 LEU 53 3.132 -0.644 -7.141 426 1HD2 LEU 53 3HD2 LEU 53 1.610 -0.335 -9.880 427 2HD2 LEU 53 1HD2 LEU 53 3.050 -0.803 -10.823 428 3HD2 LEU 53 2HD2 LEU 53 2.686 -1.649 -9.330 429 H ASP 54 H ASP 54 5.037 4.035 -10.531 430 HA ASP 54 HA ASP 54 3.004 5.855 -11.584 431 1HB ASP 54 1HB ASP 54 4.250 6.379 -9.547 432 2HB ASP 54 2HB ASP 54 5.748 6.451 -10.465 433 H LYS 55 H LYS 55 3.039 4.896 -13.745 434 HA LYS 55 HA LYS 55 5.239 5.281 -15.527 435 1HB LYS 55 1HB LYS 55 2.294 5.255 -16.139 436 2HB LYS 55 2HB LYS 55 3.635 5.262 -17.305 437 1HG LYS 55 1HG LYS 55 3.123 3.065 -15.234 438 2HG LYS 55 2HG LYS 55 2.703 3.008 -16.955 439 1HD LYS 55 1HD LYS 55 5.244 3.473 -17.385 440 2HD LYS 55 2HD LYS 55 5.459 2.978 -15.695 441 1HE LYS 55 1HE LYS 55 4.263 1.328 -17.971 442 2HE LYS 55 2HE LYS 55 5.814 1.070 -17.152 443 1HZ LYS 55 3HZ LYS 55 4.562 0.693 -15.121 444 2HZ LYS 55 1HZ LYS 55 3.149 0.810 -15.955 445 3HZ LYS 55 2HZ LYS 55 4.202 -0.412 -16.298 446 H ASN 56 H ASN 56 6.032 7.169 -14.980 447 HA ASN 56 HA ASN 56 6.544 9.358 -14.976 448 1HB ASN 56 1HB ASN 56 7.009 10.251 -16.981 449 2HB ASN 56 2HB ASN 56 6.897 8.538 -17.373 450 1HD2 ASN 56 1HD2 ASN 56 3.563 9.465 -19.029 451 2HD2 ASN 56 2HD2 ASN 56 3.884 8.629 -17.519 452 H GLY 57 H GLY 57 4.410 9.206 -13.463 453 1HA GLY 57 1HA GLY 57 2.550 11.415 -14.206 454 2HA GLY 57 2HA GLY 57 2.467 10.362 -12.784 455 H ASP 58 H ASP 58 3.731 10.823 -10.971 456 HA ASP 58 HA ASP 58 5.501 13.201 -10.984 457 1HB ASP 58 1HB ASP 58 4.448 13.840 -8.970 458 2HB ASP 58 2HB ASP 58 3.179 13.687 -10.193 459 H GLY 59 H GLY 59 4.531 10.122 -9.385 460 1HA GLY 59 1HA GLY 59 6.797 8.935 -8.672 461 2HA GLY 59 2HA GLY 59 6.769 10.266 -7.492 462 H GLU 60 H GLU 60 4.324 10.631 -6.606 463 HA GLU 60 HA GLU 60 3.902 8.154 -5.109 464 1HB GLU 60 1HB GLU 60 2.479 10.836 -4.926 465 2HB GLU 60 2HB GLU 60 2.315 9.459 -3.809 466 1HG GLU 60 1HG GLU 60 4.795 9.611 -3.374 467 2HG GLU 60 2HG GLU 60 4.811 11.126 -4.294 468 H VAL 61 H VAL 61 2.191 6.782 -5.273 469 HA VAL 61 HA VAL 61 1.229 6.703 -8.037 470 HB VAL 61 HB VAL 61 1.041 4.523 -5.948 471 1HG1 VAL 61 3HG1 VAL 61 -0.200 4.266 -8.137 472 2HG1 VAL 61 1HG1 VAL 61 1.369 4.401 -8.975 473 3HG1 VAL 61 2HG1 VAL 61 1.055 3.051 -7.862 474 1HG2 VAL 61 3HG2 VAL 61 3.380 5.275 -7.757 475 2HG2 VAL 61 1HG2 VAL 61 3.399 5.164 -5.988 476 3HG2 VAL 61 2HG2 VAL 61 3.215 3.705 -6.963 477 H SER 62 H SER 62 -0.722 7.657 -8.470 478 HA SER 62 HA SER 62 -2.986 7.423 -6.623 479 1HB SER 62 1HB SER 62 -2.682 8.636 -9.377 480 2HB SER 62 2HB SER 62 -4.246 8.500 -8.551 481 HG SER 62 HG SER 62 -3.386 9.625 -6.794 482 H PHE 63 H PHE 63 -5.074 6.518 -7.295 483 HA PHE 63 HA PHE 63 -4.817 3.821 -7.431 484 1HB PHE 63 1HB PHE 63 -6.806 4.987 -6.596 485 2HB PHE 63 2HB PHE 63 -7.286 5.380 -8.249 486 HD1 PHE 63 HD1 PHE 63 -6.306 2.399 -6.154 487 HD2 PHE 63 HD2 PHE 63 -8.806 3.873 -9.341 488 HE1 PHE 63 HE1 PHE 63 -7.514 0.247 -6.195 489 HE2 PHE 63 HE2 PHE 63 -9.967 1.682 -9.423 490 HZ PHE 63 HZ PHE 63 -9.350 -0.124 -7.801 491 H GLU 64 H GLU 64 -5.361 5.931 -10.227 492 HA GLU 64 HA GLU 64 -6.046 3.839 -12.042 493 1HB GLU 64 1HB GLU 64 -4.847 6.615 -12.556 494 2HB GLU 64 2HB GLU 64 -5.466 5.527 -13.799 495 1HG GLU 64 1HG GLU 64 -7.162 7.174 -13.276 496 2HG GLU 64 2HG GLU 64 -7.713 5.571 -12.778 497 H GLU 65 H GLU 65 -2.945 5.597 -11.609 498 HA GLU 65 HA GLU 65 -1.437 3.816 -13.273 499 1HB GLU 65 1HB GLU 65 0.553 4.890 -12.195 500 2HB GLU 65 2HB GLU 65 -0.582 5.953 -13.026 501 1HG GLU 65 1HG GLU 65 -1.573 6.610 -10.807 502 2HG GLU 65 2HG GLU 65 -0.361 5.595 -10.018 503 H PHE 66 H PHE 66 -2.167 3.754 -9.785 504 HA PHE 66 HA PHE 66 -0.632 1.513 -8.982 505 1HB PHE 66 1HB PHE 66 -1.784 2.773 -7.344 506 2HB PHE 66 2HB PHE 66 -3.265 2.653 -8.262 507 HD1 PHE 66 HD1 PHE 66 -1.024 0.670 -6.046 508 HD2 PHE 66 HD2 PHE 66 -4.830 0.964 -7.999 509 HE1 PHE 66 HE1 PHE 66 -1.956 -1.074 -4.521 510 HE2 PHE 66 HE2 PHE 66 -5.662 -0.998 -6.758 511 HZ PHE 66 HZ PHE 66 -4.283 -1.884 -4.836 512 H GLN 67 H GLN 67 -3.502 1.591 -11.144 513 HA GLN 67 HA GLN 67 -4.112 -1.158 -10.934 514 1HB GLN 67 1HB GLN 67 -4.281 0.483 -13.487 515 2HB GLN 67 2HB GLN 67 -5.007 -1.092 -13.193 516 1HG GLN 67 1HG GLN 67 -5.808 1.520 -11.904 517 2HG GLN 67 2HG GLN 67 -6.753 0.478 -12.959 518 1HE2 GLN 67 1HE2 GLN 67 -6.713 -0.085 -8.930 519 2HE2 GLN 67 2HE2 GLN 67 -5.967 1.269 -9.756 520 H VAL 68 H VAL 68 -1.216 0.267 -12.316 521 HA VAL 68 HA VAL 68 -0.404 -1.953 -13.919 522 HB VAL 68 HB VAL 68 1.211 0.017 -12.271 523 1HG1 VAL 68 1HG1 VAL 68 2.150 -1.878 -14.476 524 2HG1 VAL 68 2HG1 VAL 68 3.127 -0.614 -13.699 525 3HG1 VAL 68 3HG1 VAL 68 2.591 -2.008 -12.764 526 1HG2 VAL 68 1HG2 VAL 68 -0.173 1.010 -14.139 527 2HG2 VAL 68 2HG2 VAL 68 1.568 1.162 -14.398 528 3HG2 VAL 68 3HG2 VAL 68 0.644 -0.081 -15.269 529 H LEU 69 H LEU 69 -0.508 -1.510 -10.376 530 HA LEU 69 HA LEU 69 1.060 -3.905 -9.831 531 1HB LEU 69 1HB LEU 69 0.746 -1.934 -8.201 532 2HB LEU 69 2HB LEU 69 -0.928 -2.438 -8.035 533 HG LEU 69 HG LEU 69 -0.068 -4.721 -7.262 534 1HD1 LEU 69 1HD1 LEU 69 2.554 -3.170 -7.070 535 2HD1 LEU 69 2HD1 LEU 69 2.236 -4.750 -6.328 536 3HD1 LEU 69 3HD1 LEU 69 2.262 -4.599 -8.087 537 1HD2 LEU 69 3HD2 LEU 69 0.617 -2.252 -5.618 538 2HD2 LEU 69 1HD2 LEU 69 -0.969 -3.052 -5.724 539 3HD2 LEU 69 2HD2 LEU 69 0.395 -3.898 -4.982 540 H VAL 70 H VAL 70 -2.390 -2.954 -9.799 541 HA VAL 70 HA VAL 70 -3.542 -5.392 -9.056 542 HB VAL 70 HB VAL 70 -4.632 -3.327 -11.028 543 1HG1 VAL 70 3HG1 VAL 70 -5.956 -5.398 -11.111 544 2HG1 VAL 70 1HG1 VAL 70 -6.146 -5.339 -9.347 545 3HG1 VAL 70 2HG1 VAL 70 -6.854 -4.074 -10.362 546 1HG2 VAL 70 3HG2 VAL 70 -4.812 -3.530 -7.984 547 2HG2 VAL 70 1HG2 VAL 70 -4.046 -2.233 -8.899 548 3HG2 VAL 70 2HG2 VAL 70 -5.799 -2.436 -8.967 549 H LYS 71 H LYS 71 -2.558 -4.303 -12.319 550 HA LYS 71 HA LYS 71 -3.325 -6.545 -13.803 551 1HB LYS 71 1HB LYS 71 -2.461 -4.541 -14.877 552 2HB LYS 71 2HB LYS 71 -0.937 -4.693 -14.032 553 1HG LYS 71 1HG LYS 71 -0.697 -5.352 -16.355 554 2HG LYS 71 2HG LYS 71 -0.288 -6.638 -15.229 555 1HD LYS 71 1HD LYS 71 -1.456 -7.547 -17.121 556 2HD LYS 71 2HD LYS 71 -2.475 -7.771 -15.709 557 1HE LYS 71 1HE LYS 71 -2.825 -5.405 -17.622 558 2HE LYS 71 2HE LYS 71 -3.550 -6.988 -17.934 559 1HZ LYS 71 3HZ LYS 71 -4.706 -6.847 -15.873 560 2HZ LYS 71 1HZ LYS 71 -4.082 -5.356 -15.564 561 3HZ LYS 71 2HZ LYS 71 -5.081 -5.577 -16.851 562 H LYS 72 H LYS 72 -0.177 -6.055 -12.207 563 HA LYS 72 HA LYS 72 0.803 -8.691 -12.664 564 1HB LYS 72 1HB LYS 72 1.515 -6.600 -10.575 565 2HB LYS 72 2HB LYS 72 2.156 -8.238 -10.495 566 1HG LYS 72 1HG LYS 72 3.812 -7.062 -11.597 567 2HG LYS 72 2HG LYS 72 3.003 -8.003 -12.854 568 1HD LYS 72 1HD LYS 72 1.726 -5.909 -13.502 569 2HD LYS 72 2HD LYS 72 2.573 -5.050 -12.203 570 1HE LYS 72 1HE LYS 72 3.625 -4.551 -14.331 571 2HE LYS 72 2HE LYS 72 4.746 -5.469 -13.312 572 1HZ LYS 72 1HZ LYS 72 3.095 -6.583 -15.477 573 2HZ LYS 72 2HZ LYS 72 4.706 -6.250 -15.570 574 3HZ LYS 72 3HZ LYS 72 4.168 -7.426 -14.553 575 H ILE 73 H ILE 73 -1.145 -7.452 -9.966 576 HA ILE 73 HA ILE 73 -1.203 -9.923 -8.496 577 HB ILE 73 HB ILE 73 -3.333 -7.749 -8.598 578 1HG1 ILE 73 1HG1 ILE 73 -0.977 -8.193 -6.705 579 2HG1 ILE 73 2HG1 ILE 73 -1.162 -6.878 -7.869 580 1HG2 ILE 73 3HG2 ILE 73 -4.208 -9.901 -7.692 581 2HG2 ILE 73 1HG2 ILE 73 -2.882 -9.924 -6.514 582 3HG2 ILE 73 2HG2 ILE 73 -4.130 -8.659 -6.466 583 1HD1 ILE 73 3HD1 ILE 73 -3.204 -6.109 -6.636 584 2HD1 ILE 73 1HD1 ILE 73 -2.792 -7.280 -5.354 585 3HD1 ILE 73 2HD1 ILE 73 -1.675 -5.973 -5.745 586 H SER 74 H SER 74 -3.063 -8.738 -11.244 587 HA SER 74 HA SER 74 -4.553 -9.651 -12.644 588 1HB SER 74 1HB SER 74 -2.779 -11.330 -13.011 589 2HB SER 74 2HB SER 74 -3.466 -12.351 -11.729 590 HG SER 74 HG SER 74 -5.440 -12.322 -12.937 591 H GLN 75 H GLN 75 -5.295 -8.946 -9.954 592 HA GLN 75 HA GLN 75 -7.955 -9.794 -9.910 593 1HB GLN 75 1HB GLN 75 -6.543 -11.861 -8.814 594 2HB GLN 75 2HB GLN 75 -6.461 -10.771 -7.447 595 1HG GLN 75 1HG GLN 75 -8.330 -12.308 -7.209 596 2HG GLN 75 2HG GLN 75 -8.937 -10.660 -7.373 597 1HE2 GLN 75 1HE2 GLN 75 -9.432 -12.560 -10.952 598 2HE2 GLN 75 2HE2 GLN 75 -7.819 -12.152 -10.410 No H/Q in entry = 598 Start of MODEL 9 Raw file had 599 H/Q atoms Start of MODEL 9 1 1H LYS 1 1H LYS 1 -8.150 -11.017 -5.513 2 2H LYS 1 2H LYS 1 -6.890 -9.989 -5.085 3 3H LYS 1 3H LYS 1 -7.483 -11.101 -3.972 4 HA LYS 1 HA LYS 1 -9.573 -9.989 -3.867 5 1HB LYS 1 1HB LYS 1 -7.216 -8.112 -3.486 6 2HB LYS 1 2HB LYS 1 -8.838 -7.973 -2.782 7 1HG LYS 1 1HG LYS 1 -8.317 -10.512 -2.028 8 2HG LYS 1 2HG LYS 1 -6.650 -9.952 -2.144 9 1HD LYS 1 1HD LYS 1 -8.908 -8.664 -0.533 10 2HD LYS 1 2HD LYS 1 -7.679 -9.750 0.133 11 1HE LYS 1 1HE LYS 1 -5.886 -8.153 -0.498 12 2HE LYS 1 2HE LYS 1 -7.101 -7.027 -1.137 13 1HZ LYS 1 1HZ LYS 1 -6.976 -7.977 1.638 14 2HZ LYS 1 2HZ LYS 1 -6.411 -6.529 1.121 15 3HZ LYS 1 3HZ LYS 1 -8.026 -6.858 1.038 16 H SER 2 H SER 2 -11.043 -8.605 -4.774 17 HA SER 2 HA SER 2 -10.813 -8.146 -7.549 18 1HB SER 2 1HB SER 2 -12.973 -6.916 -7.267 19 2HB SER 2 2HB SER 2 -12.973 -8.458 -6.403 20 HG SER 2 HG SER 2 -12.699 -7.400 -4.503 21 HA PRO 3 HA PRO 3 -9.000 -4.029 -7.919 22 1HB PRO 3 1HB PRO 3 -11.525 -3.400 -9.474 23 2HB PRO 3 2HB PRO 3 -9.839 -2.945 -9.859 24 1HG PRO 3 1HG PRO 3 -10.980 -5.057 -11.123 25 2HG PRO 3 2HG PRO 3 -9.314 -5.208 -10.488 26 1HD PRO 3 1HD PRO 3 -11.875 -6.219 -9.251 27 2HD PRO 3 2HD PRO 3 -10.285 -7.028 -9.408 28 H GLU 4 H GLU 4 -12.472 -4.400 -7.100 29 HA GLU 4 HA GLU 4 -12.864 -1.871 -5.853 30 1HB GLU 4 1HB GLU 4 -14.241 -4.553 -5.384 31 2HB GLU 4 2HB GLU 4 -14.817 -2.983 -4.807 32 1HG GLU 4 1HG GLU 4 -15.043 -2.172 -7.123 33 2HG GLU 4 2HG GLU 4 -14.430 -3.709 -7.754 34 H GLU 5 H GLU 5 -12.021 -5.059 -4.493 35 HA GLU 5 HA GLU 5 -11.774 -4.202 -1.751 36 1HB GLU 5 1HB GLU 5 -10.516 -6.477 -3.343 37 2HB GLU 5 2HB GLU 5 -10.165 -6.218 -1.631 38 1HG GLU 5 1HG GLU 5 -12.410 -6.597 -0.961 39 2HG GLU 5 2HG GLU 5 -13.030 -6.464 -2.608 40 H LEU 6 H LEU 6 -9.484 -4.442 -4.427 41 HA LEU 6 HA LEU 6 -7.208 -3.423 -3.067 42 1HB LEU 6 1HB LEU 6 -8.016 -3.582 -5.976 43 2HB LEU 6 2HB LEU 6 -6.483 -2.932 -5.467 44 HG LEU 6 HG LEU 6 -7.562 -5.745 -4.833 45 1HD1 LEU 6 3HD1 LEU 6 -6.818 -5.371 -7.213 46 2HD1 LEU 6 1HD1 LEU 6 -5.179 -5.034 -6.568 47 3HD1 LEU 6 2HD1 LEU 6 -5.918 -6.623 -6.335 48 1HD2 LEU 6 3HD2 LEU 6 -4.922 -4.418 -4.117 49 2HD2 LEU 6 1HD2 LEU 6 -6.076 -5.219 -3.011 50 3HD2 LEU 6 2HD2 LEU 6 -5.149 -6.175 -4.154 51 H LYS 7 H LYS 7 -9.779 -1.663 -4.806 52 HA LYS 7 HA LYS 7 -8.626 0.911 -4.451 53 1HB LYS 7 1HB LYS 7 -10.704 0.079 -5.835 54 2HB LYS 7 2HB LYS 7 -11.588 0.320 -4.345 55 1HG LYS 7 1HG LYS 7 -10.166 2.329 -6.141 56 2HG LYS 7 2HG LYS 7 -11.881 2.237 -5.743 57 1HD LYS 7 1HD LYS 7 -11.221 2.881 -3.345 58 2HD LYS 7 2HD LYS 7 -9.572 3.123 -3.973 59 1HE LYS 7 1HE LYS 7 -10.566 5.278 -3.966 60 2HE LYS 7 2HE LYS 7 -10.508 4.760 -5.654 61 1HZ LYS 7 1HZ LYS 7 -12.846 4.624 -3.871 62 2HZ LYS 7 2HZ LYS 7 -12.607 5.731 -5.066 63 3HZ LYS 7 3HZ LYS 7 -12.826 4.143 -5.448 64 H GLY 8 H GLY 8 -10.788 -1.020 -2.387 65 1HA GLY 8 1HA GLY 8 -11.129 0.808 -0.242 66 2HA GLY 8 2HA GLY 8 -11.133 -0.960 -0.091 67 H ILE 9 H ILE 9 -8.697 -1.750 -0.667 68 HA ILE 9 HA ILE 9 -6.975 -1.266 1.537 69 HB ILE 9 HB ILE 9 -6.601 -2.462 -1.167 70 1HG1 ILE 9 1HG1 ILE 9 -8.150 -3.451 0.501 71 2HG1 ILE 9 2HG1 ILE 9 -6.815 -4.522 0.035 72 1HG2 ILE 9 1HG2 ILE 9 -4.553 -2.352 1.050 73 2HG2 ILE 9 2HG2 ILE 9 -4.516 -3.475 -0.330 74 3HG2 ILE 9 3HG2 ILE 9 -4.407 -1.733 -0.602 75 1HD1 ILE 9 3HD1 ILE 9 -5.745 -3.819 2.285 76 2HD1 ILE 9 1HD1 ILE 9 -7.295 -3.056 2.672 77 3HD1 ILE 9 2HD1 ILE 9 -7.223 -4.784 2.378 78 H PHE 10 H PHE 10 -6.732 -0.056 -1.849 79 HA PHE 10 HA PHE 10 -4.469 1.526 -1.606 80 1HB PHE 10 1HB PHE 10 -5.670 1.005 -3.721 81 2HB PHE 10 2HB PHE 10 -6.981 2.050 -3.237 82 HD1 PHE 10 HD1 PHE 10 -6.630 4.529 -2.956 83 HD2 PHE 10 HD2 PHE 10 -3.684 1.928 -4.755 84 HE1 PHE 10 HE1 PHE 10 -5.376 6.468 -3.727 85 HE2 PHE 10 HE2 PHE 10 -2.495 3.927 -5.647 86 HZ PHE 10 HZ PHE 10 -3.291 6.193 -5.047 87 H GLU 11 H GLU 11 -7.884 2.445 -0.924 88 HA GLU 11 HA GLU 11 -7.278 5.134 -0.092 89 1HB GLU 11 1HB GLU 11 -9.634 3.303 0.503 90 2HB GLU 11 2HB GLU 11 -9.536 4.989 1.035 91 1HG GLU 11 1HG GLU 11 -9.326 5.773 -1.274 92 2HG GLU 11 2HG GLU 11 -9.328 4.112 -1.871 93 H LYS 12 H LYS 12 -7.878 2.140 1.793 94 HA LYS 12 HA LYS 12 -7.579 3.029 4.394 95 1HB LYS 12 1HB LYS 12 -8.196 0.790 4.027 96 2HB LYS 12 2HB LYS 12 -6.786 0.438 3.026 97 1HG LYS 12 1HG LYS 12 -5.274 0.432 4.826 98 2HG LYS 12 2HG LYS 12 -6.510 1.076 5.957 99 1HD LYS 12 1HD LYS 12 -7.860 -1.064 5.402 100 2HD LYS 12 2HD LYS 12 -6.384 -1.675 4.637 101 1HE LYS 12 1HE LYS 12 -6.736 -0.823 7.555 102 2HE LYS 12 2HE LYS 12 -6.598 -2.485 6.958 103 1HZ LYS 12 1HZ LYS 12 -4.505 -0.439 6.745 104 2HZ LYS 12 2HZ LYS 12 -4.548 -1.657 7.852 105 3HZ LYS 12 3HZ LYS 12 -4.376 -2.008 6.255 106 H TYR 13 H TYR 13 -4.937 2.066 2.170 107 HA TYR 13 HA TYR 13 -2.925 2.795 4.173 108 1HB TYR 13 1HB TYR 13 -2.760 1.774 1.350 109 2HB TYR 13 2HB TYR 13 -1.344 2.281 2.275 110 HD1 TYR 13 HD1 TYR 13 -0.875 1.278 4.510 111 HD2 TYR 13 HD2 TYR 13 -4.003 -0.279 2.068 112 HE1 TYR 13 HE1 TYR 13 -0.960 -0.789 5.905 113 HE2 TYR 13 HE2 TYR 13 -4.013 -2.381 3.280 114 HH TYR 13 HH TYR 13 -1.867 -2.935 6.092 115 H ALA 14 H ALA 14 -3.923 4.178 1.038 116 HA ALA 14 HA ALA 14 -2.162 6.361 0.912 117 1HB ALA 14 3HB ALA 14 -3.651 5.736 -0.925 118 2HB ALA 14 1HB ALA 14 -5.062 6.257 0.019 119 3HB ALA 14 2HB ALA 14 -3.839 7.438 -0.495 120 H ALA 15 H ALA 15 -5.430 6.403 2.266 121 HA ALA 15 HA ALA 15 -5.461 9.052 3.204 122 1HB ALA 15 3HB ALA 15 -7.455 7.565 2.952 123 2HB ALA 15 1HB ALA 15 -6.903 6.636 4.369 124 3HB ALA 15 2HB ALA 15 -7.374 8.337 4.551 125 H LYS 16 H LYS 16 -3.722 6.320 4.554 126 HA LYS 16 HA LYS 16 -3.836 7.074 7.284 127 1HB LYS 16 1HB LYS 16 -3.054 4.888 6.094 128 2HB LYS 16 2HB LYS 16 -1.467 5.679 6.008 129 1HG LYS 16 1HG LYS 16 -1.658 6.006 8.544 130 2HG LYS 16 2HG LYS 16 -3.112 5.004 8.489 131 1HD LYS 16 1HD LYS 16 -0.248 4.227 7.803 132 2HD LYS 16 2HD LYS 16 -1.244 3.600 9.119 133 1HE LYS 16 1HE LYS 16 -1.561 3.079 6.130 134 2HE LYS 16 2HE LYS 16 -1.092 1.921 7.376 135 1HZ LYS 16 3HZ LYS 16 -3.278 2.163 8.335 136 2HZ LYS 16 1HZ LYS 16 -3.719 3.213 7.140 137 3HZ LYS 16 2HZ LYS 16 -3.361 1.653 6.767 138 H GLU 17 H GLU 17 -2.106 8.411 4.547 139 HA GLU 17 HA GLU 17 -0.975 10.501 6.236 140 1HB GLU 17 1HB GLU 17 0.706 8.731 6.497 141 2HB GLU 17 2HB GLU 17 0.889 8.607 4.752 142 1HG GLU 17 1HG GLU 17 1.469 11.141 6.356 143 2HG GLU 17 2HG GLU 17 2.680 9.897 6.026 144 H GLY 18 H GLY 18 -1.139 9.029 3.006 145 1HA GLY 18 1HA GLY 18 -0.493 11.572 1.654 146 2HA GLY 18 2HA GLY 18 -0.849 10.000 0.914 147 H ASP 19 H ASP 19 -2.092 12.023 -0.259 148 HA ASP 19 HA ASP 19 -4.744 12.565 0.757 149 1HB ASP 19 1HB ASP 19 -3.725 13.920 -1.034 150 2HB ASP 19 2HB ASP 19 -3.623 12.501 -2.086 151 HA PRO 20 HA PRO 20 -6.307 8.412 0.395 152 1HB PRO 20 1HB PRO 20 -8.904 8.865 -0.614 153 2HB PRO 20 2HB PRO 20 -8.397 8.879 1.098 154 1HG PRO 20 1HG PRO 20 -8.680 11.214 -0.797 155 2HG PRO 20 2HG PRO 20 -9.211 11.107 0.909 156 1HD PRO 20 1HD PRO 20 -6.953 12.383 0.306 157 2HD PRO 20 2HD PRO 20 -6.937 11.258 1.686 158 H ASN 21 H ASN 21 -6.392 10.483 -2.472 159 HA ASN 21 HA ASN 21 -6.880 8.283 -4.343 160 1HB ASN 21 1HB ASN 21 -6.136 11.194 -4.714 161 2HB ASN 21 2HB ASN 21 -6.648 10.094 -5.994 162 1HD2 ASN 21 1HD2 ASN 21 -9.439 11.902 -3.664 163 2HD2 ASN 21 2HD2 ASN 21 -7.719 12.118 -3.353 164 H GLN 22 H GLN 22 -4.132 9.125 -2.616 165 HA GLN 22 HA GLN 22 -2.238 8.321 -4.781 166 1HB GLN 22 1HB GLN 22 -2.522 10.705 -4.924 167 2HB GLN 22 2HB GLN 22 -2.298 10.883 -3.187 168 1HG GLN 22 1HG GLN 22 0.015 9.496 -4.298 169 2HG GLN 22 2HG GLN 22 -0.338 10.913 -5.279 170 1HE2 GLN 22 1HE2 GLN 22 0.561 11.547 -1.288 171 2HE2 GLN 22 2HE2 GLN 22 -0.440 10.157 -1.706 172 H LEU 23 H LEU 23 -0.997 6.668 -4.000 173 HA LEU 23 HA LEU 23 -0.387 6.399 -1.132 174 1HB LEU 23 1HB LEU 23 0.292 4.775 -3.598 175 2HB LEU 23 2HB LEU 23 0.822 4.403 -1.976 176 HG LEU 23 HG LEU 23 -2.126 4.579 -2.688 177 1HD1 LEU 23 3HD1 LEU 23 -0.972 2.868 -4.111 178 2HD1 LEU 23 1HD1 LEU 23 -0.295 2.146 -2.639 179 3HD1 LEU 23 2HD1 LEU 23 -2.043 2.112 -2.905 180 1HD2 LEU 23 1HD2 LEU 23 -1.486 4.622 -0.265 181 2HD2 LEU 23 2HD2 LEU 23 -2.414 3.181 -0.707 182 3HD2 LEU 23 3HD2 LEU 23 -0.658 3.068 -0.477 183 H SER 24 H SER 24 1.599 7.080 -0.281 184 HA SER 24 HA SER 24 3.781 7.945 -2.050 185 1HB SER 24 1HB SER 24 4.898 8.538 -0.040 186 2HB SER 24 2HB SER 24 3.205 8.908 0.291 187 HG SER 24 HG SER 24 3.724 7.668 1.987 188 H LYS 25 H LYS 25 6.036 6.895 -1.265 189 HA LYS 25 HA LYS 25 6.052 4.119 -1.946 190 1HB LYS 25 1HB LYS 25 8.087 5.805 -0.385 191 2HB LYS 25 2HB LYS 25 8.377 4.163 -0.969 192 1HG LYS 25 1HG LYS 25 8.110 4.895 -3.285 193 2HG LYS 25 2HG LYS 25 7.776 6.554 -2.742 194 1HD LYS 25 1HD LYS 25 10.059 6.611 -1.677 195 2HD LYS 25 2HD LYS 25 10.351 4.974 -2.285 196 1HE LYS 25 1HE LYS 25 11.415 6.543 -3.787 197 2HE LYS 25 2HE LYS 25 10.037 5.819 -4.633 198 1HZ LYS 25 1HZ LYS 25 10.070 8.452 -3.320 199 2HZ LYS 25 2HZ LYS 25 10.166 8.180 -4.942 200 3HZ LYS 25 3HZ LYS 25 8.790 7.797 -4.125 201 H GLU 26 H GLU 26 5.814 5.927 1.093 202 HA GLU 26 HA GLU 26 6.325 3.671 2.799 203 1HB GLU 26 1HB GLU 26 4.737 6.165 3.595 204 2HB GLU 26 2HB GLU 26 5.689 5.083 4.607 205 1HG GLU 26 1HG GLU 26 7.029 6.896 4.436 206 2HG GLU 26 2HG GLU 26 7.738 5.895 3.163 207 H GLU 27 H GLU 27 3.369 5.373 1.848 208 HA GLU 27 HA GLU 27 1.593 3.518 3.117 209 1HB GLU 27 1HB GLU 27 1.073 5.161 0.611 210 2HB GLU 27 2HB GLU 27 -0.093 4.171 1.493 211 1HG GLU 27 1HG GLU 27 -0.539 6.228 2.415 212 2HG GLU 27 2HG GLU 27 0.538 5.528 3.615 213 H LEU 28 H LEU 28 3.017 3.374 -0.262 214 HA LEU 28 HA LEU 28 1.922 0.804 -0.788 215 1HB LEU 28 1HB LEU 28 4.410 2.251 -1.731 216 2HB LEU 28 2HB LEU 28 4.142 0.567 -2.210 217 HG LEU 28 HG LEU 28 1.962 2.582 -2.422 218 1HD1 LEU 28 1HD1 LEU 28 4.169 2.124 -4.447 219 2HD1 LEU 28 2HD1 LEU 28 2.621 2.910 -4.824 220 3HD1 LEU 28 3HD1 LEU 28 3.699 3.648 -3.628 221 1HD2 LEU 28 1HD2 LEU 28 1.386 0.142 -2.814 222 2HD2 LEU 28 2HD2 LEU 28 1.193 1.076 -4.302 223 3HD2 LEU 28 3HD2 LEU 28 2.634 0.073 -4.069 224 H LYS 29 H LYS 29 4.884 1.597 1.006 225 HA LYS 29 HA LYS 29 5.718 -1.133 1.134 226 1HB LYS 29 1HB LYS 29 7.040 0.957 1.785 227 2HB LYS 29 2HB LYS 29 6.068 1.091 3.225 228 1HG LYS 29 1HG LYS 29 6.862 -1.150 3.994 229 2HG LYS 29 2HG LYS 29 7.865 -1.280 2.538 230 1HD LYS 29 1HD LYS 29 9.088 0.790 3.219 231 2HD LYS 29 2HD LYS 29 8.112 0.881 4.692 232 1HE LYS 29 1HE LYS 29 9.978 -1.425 3.934 233 2HE LYS 29 2HE LYS 29 10.347 -0.136 5.090 234 1HZ LYS 29 3HZ LYS 29 8.502 -0.879 6.418 235 2HZ LYS 29 1HZ LYS 29 8.185 -2.104 5.361 236 3HZ LYS 29 2HZ LYS 29 9.604 -2.084 6.198 237 H LEU 30 H LEU 30 3.796 0.807 3.360 238 HA LEU 30 HA LEU 30 3.212 -1.328 5.175 239 1HB LEU 30 1HB LEU 30 1.582 1.154 4.497 240 2HB LEU 30 2HB LEU 30 1.258 0.109 5.888 241 HG LEU 30 HG LEU 30 3.885 1.611 5.477 242 1HD1 LEU 30 3HD1 LEU 30 1.986 3.167 5.748 243 2HD1 LEU 30 1HD1 LEU 30 1.485 2.304 7.219 244 3HD1 LEU 30 2HD1 LEU 30 3.036 3.171 7.175 245 1HD2 LEU 30 3HD2 LEU 30 2.719 0.130 7.878 246 2HD2 LEU 30 1HD2 LEU 30 4.156 -0.343 6.944 247 3HD2 LEU 30 2HD2 LEU 30 4.179 1.137 7.906 248 H LEU 31 H LEU 31 1.376 -0.202 2.374 249 HA LEU 31 HA LEU 31 -0.762 -2.025 2.455 250 1HB LEU 31 1HB LEU 31 -0.506 -0.074 0.956 251 2HB LEU 31 2HB LEU 31 0.690 -0.939 0.005 252 HG LEU 31 HG LEU 31 -2.137 -1.952 0.398 253 1HD1 LEU 31 1HD1 LEU 31 -1.014 -0.128 -1.776 254 2HD1 LEU 31 2HD1 LEU 31 -2.619 -0.877 -1.830 255 3HD1 LEU 31 3HD1 LEU 31 -2.243 0.309 -0.571 256 1HD2 LEU 31 3HD2 LEU 31 0.005 -2.544 -1.699 257 2HD2 LEU 31 1HD2 LEU 31 -0.706 -3.695 -0.545 258 3HD2 LEU 31 2HD2 LEU 31 -1.692 -3.044 -1.846 259 H LEU 32 H LEU 32 2.356 -2.342 0.810 260 HA LEU 32 HA LEU 32 1.961 -4.994 -0.187 261 1HB LEU 32 1HB LEU 32 4.473 -3.424 0.571 262 2HB LEU 32 2HB LEU 32 4.555 -5.025 -0.162 263 HG LEU 32 HG LEU 32 3.090 -2.743 -1.532 264 1HD1 LEU 32 3HD1 LEU 32 5.426 -2.019 -1.109 265 2HD1 LEU 32 1HD1 LEU 32 6.025 -3.533 -1.821 266 3HD1 LEU 32 2HD1 LEU 32 5.154 -2.352 -2.824 267 1HD2 LEU 32 3HD2 LEU 32 4.389 -5.306 -2.539 268 2HD2 LEU 32 1HD2 LEU 32 2.640 -5.034 -2.364 269 3HD2 LEU 32 2HD2 LEU 32 3.570 -4.088 -3.539 270 H GLN 33 H GLN 33 3.669 -3.836 2.766 271 HA GLN 33 HA GLN 33 4.429 -6.324 3.746 272 1HB GLN 33 1HB GLN 33 5.260 -4.156 4.564 273 2HB GLN 33 2HB GLN 33 3.690 -3.805 5.302 274 1HG GLN 33 1HG GLN 33 3.944 -5.644 6.871 275 2HG GLN 33 2HG GLN 33 5.407 -6.212 6.053 276 1HE2 GLN 33 1HE2 GLN 33 7.508 -3.655 7.447 277 2HE2 GLN 33 2HE2 GLN 33 7.320 -4.699 6.043 278 H THR 34 H THR 34 1.417 -4.558 4.438 279 HA THR 34 HA THR 34 0.525 -6.620 6.280 280 HB THR 34 HB THR 34 -1.380 -4.727 4.926 281 HG1 THR 34 HG1 THR 34 0.435 -3.474 5.646 282 1HG2 THR 34 3HG2 THR 34 -2.242 -6.434 6.532 283 2HG2 THR 34 1HG2 THR 34 -1.157 -5.788 7.782 284 3HG2 THR 34 2HG2 THR 34 -2.480 -4.795 7.151 285 H GLU 35 H GLU 35 -0.424 -5.728 2.890 286 HA GLU 35 HA GLU 35 -2.449 -7.834 2.902 287 1HB GLU 35 1HB GLU 35 -1.703 -5.640 0.900 288 2HB GLU 35 2HB GLU 35 -3.078 -6.737 0.771 289 1HG GLU 35 1HG GLU 35 -2.496 -4.582 2.861 290 2HG GLU 35 2HG GLU 35 -3.753 -4.586 1.635 291 H PHE 36 H PHE 36 0.740 -7.291 1.524 292 HA PHE 36 HA PHE 36 0.625 -9.939 0.192 293 1HB PHE 36 1HB PHE 36 1.392 -7.348 -1.204 294 2HB PHE 36 2HB PHE 36 1.432 -8.983 -1.858 295 HD1 PHE 36 HD1 PHE 36 -0.823 -10.314 -1.897 296 HD2 PHE 36 HD2 PHE 36 -0.524 -6.021 -1.651 297 HE1 PHE 36 HE1 PHE 36 -2.973 -10.104 -3.115 298 HE2 PHE 36 HE2 PHE 36 -2.647 -5.822 -3.005 299 HZ PHE 36 HZ PHE 36 -3.852 -7.880 -3.699 300 HA PRO 37 HA PRO 37 4.602 -8.712 2.379 301 1HB PRO 37 1HB PRO 37 4.967 -11.086 3.770 302 2HB PRO 37 2HB PRO 37 4.076 -9.662 4.375 303 1HG PRO 37 1HG PRO 37 2.933 -12.134 3.069 304 2HG PRO 37 2HG PRO 37 2.364 -11.304 4.546 305 1HD PRO 37 1HD PRO 37 1.172 -10.902 2.152 306 2HD PRO 37 2HD PRO 37 1.395 -9.528 3.261 307 H SER 38 H SER 38 3.524 -11.515 0.510 308 HA SER 38 HA SER 38 6.161 -12.540 -0.101 309 1HB SER 38 1HB SER 38 4.009 -13.852 -0.315 310 2HB SER 38 2HB SER 38 3.611 -12.867 -1.740 311 HG SER 38 HG SER 38 5.757 -13.595 -2.536 312 H LEU 39 H LEU 39 4.081 -9.953 -1.343 313 HA LEU 39 HA LEU 39 5.750 -9.541 -3.734 314 1HB LEU 39 1HB LEU 39 3.325 -8.137 -2.638 315 2HB LEU 39 2HB LEU 39 4.180 -7.629 -4.105 316 HG LEU 39 HG LEU 39 2.806 -10.313 -3.676 317 1HD1 LEU 39 3HD1 LEU 39 1.264 -8.356 -4.035 318 2HD1 LEU 39 1HD1 LEU 39 2.125 -7.982 -5.532 319 3HD1 LEU 39 2HD1 LEU 39 1.223 -9.508 -5.377 320 1HD2 LEU 39 3HD2 LEU 39 4.349 -9.243 -6.072 321 2HD2 LEU 39 1HD2 LEU 39 4.645 -10.750 -5.172 322 3HD2 LEU 39 2HD2 LEU 39 3.203 -10.598 -6.166 323 H LEU 40 H LEU 40 5.264 -8.239 -0.476 324 HA LEU 40 HA LEU 40 6.981 -5.979 -0.769 325 1HB LEU 40 1HB LEU 40 5.671 -6.530 1.344 326 2HB LEU 40 2HB LEU 40 6.843 -7.809 1.655 327 HG LEU 40 HG LEU 40 8.663 -5.948 1.508 328 1HD1 LEU 40 3HD1 LEU 40 7.179 -4.156 0.599 329 2HD1 LEU 40 1HD1 LEU 40 6.209 -4.234 2.086 330 3HD1 LEU 40 2HD1 LEU 40 7.903 -3.713 2.150 331 1HD2 LEU 40 3HD2 LEU 40 6.712 -6.034 3.830 332 2HD2 LEU 40 1HD2 LEU 40 8.082 -7.130 3.567 333 3HD2 LEU 40 2HD2 LEU 40 8.373 -5.410 3.878 334 H LYS 41 H LYS 41 7.732 -9.356 0.103 335 HA LYS 41 HA LYS 41 10.574 -9.058 0.011 336 1HB LYS 41 1HB LYS 41 8.786 -11.486 -0.282 337 2HB LYS 41 2HB LYS 41 10.539 -11.538 -0.109 338 1HG LYS 41 1HG LYS 41 8.612 -10.368 1.952 339 2HG LYS 41 2HG LYS 41 9.369 -11.958 1.983 340 1HD LYS 41 1HD LYS 41 11.634 -10.841 2.058 341 2HD LYS 41 2HD LYS 41 10.811 -9.275 2.159 342 1HE LYS 41 1HE LYS 41 11.445 -9.937 4.377 343 2HE LYS 41 2HE LYS 41 9.679 -9.973 4.249 344 1HZ LYS 41 1HZ LYS 41 11.458 -12.309 4.057 345 2HZ LYS 41 2HZ LYS 41 10.576 -11.883 5.381 346 3HZ LYS 41 3HZ LYS 41 9.811 -12.344 3.998 347 H GLY 42 H GLY 42 8.296 -10.348 -2.392 348 1HA GLY 42 1HA GLY 42 10.052 -11.014 -4.446 349 2HA GLY 42 2HA GLY 42 8.384 -10.464 -4.686 350 H GLY 43 H GLY 43 8.455 -7.848 -3.868 351 1HA GLY 43 1HA GLY 43 9.862 -6.428 -5.994 352 2HA GLY 43 2HA GLY 43 8.814 -5.767 -4.727 353 H SER 44 H SER 44 11.848 -7.559 -4.923 354 HA SER 44 HA SER 44 13.266 -7.303 -2.789 355 1HB SER 44 1HB SER 44 15.327 -6.835 -4.197 356 2HB SER 44 2HB SER 44 14.280 -8.128 -4.808 357 HG SER 44 HG SER 44 13.422 -6.691 -6.312 358 H THR 45 H THR 45 13.355 -4.551 -5.026 359 HA THR 45 HA THR 45 13.717 -2.677 -2.721 360 HB THR 45 HB THR 45 14.539 -1.103 -4.480 361 HG1 THR 45 HG1 THR 45 14.951 -3.565 -5.890 362 1HG2 THR 45 3HG2 THR 45 16.062 -2.158 -2.856 363 2HG2 THR 45 1HG2 THR 45 16.219 -3.590 -3.893 364 3HG2 THR 45 2HG2 THR 45 16.850 -2.021 -4.439 365 H LEU 46 H LEU 46 12.246 -1.159 -2.439 366 HA LEU 46 HA LEU 46 9.635 -1.580 -3.582 367 1HB LEU 46 1HB LEU 46 10.578 0.746 -1.869 368 2HB LEU 46 2HB LEU 46 8.932 0.091 -1.985 369 HG LEU 46 HG LEU 46 11.409 -1.118 -0.716 370 1HD1 LEU 46 3HD1 LEU 46 10.346 0.679 0.572 371 2HD1 LEU 46 1HD1 LEU 46 8.785 -0.166 0.489 372 3HD1 LEU 46 2HD1 LEU 46 10.143 -0.882 1.389 373 1HD2 LEU 46 3HD2 LEU 46 8.586 -2.307 -0.919 374 2HD2 LEU 46 1HD2 LEU 46 10.050 -2.982 -1.664 375 3HD2 LEU 46 2HD2 LEU 46 9.889 -2.965 0.094 376 H ASP 47 H ASP 47 12.042 0.984 -3.589 377 HA ASP 47 HA ASP 47 10.798 2.981 -4.991 378 1HB ASP 47 1HB ASP 47 13.715 2.111 -5.117 379 2HB ASP 47 2HB ASP 47 13.107 3.699 -5.610 380 H GLU 48 H GLU 48 12.622 0.293 -6.414 381 HA GLU 48 HA GLU 48 12.266 0.963 -9.141 382 1HB GLU 48 1HB GLU 48 12.759 -1.632 -7.638 383 2HB GLU 48 2HB GLU 48 12.509 -1.632 -9.385 384 1HG GLU 48 1HG GLU 48 14.919 -1.564 -8.712 385 2HG GLU 48 2HG GLU 48 14.410 -0.275 -9.808 386 H LEU 49 H LEU 49 10.226 -1.001 -6.996 387 HA LEU 49 HA LEU 49 8.269 -1.712 -8.954 388 1HB LEU 49 1HB LEU 49 8.721 -2.557 -6.485 389 2HB LEU 49 2HB LEU 49 7.566 -1.303 -6.037 390 HG LEU 49 HG LEU 49 7.117 -3.692 -7.879 391 1HD1 LEU 49 3HD1 LEU 49 7.199 -4.154 -5.435 392 2HD1 LEU 49 1HD1 LEU 49 5.917 -2.955 -5.174 393 3HD1 LEU 49 2HD1 LEU 49 5.583 -4.428 -6.108 394 1HD2 LEU 49 3HD2 LEU 49 5.225 -1.411 -7.172 395 2HD2 LEU 49 1HD2 LEU 49 5.734 -1.947 -8.797 396 3HD2 LEU 49 2HD2 LEU 49 4.686 -2.974 -7.821 397 H PHE 50 H PHE 50 8.444 0.895 -6.574 398 HA PHE 50 HA PHE 50 6.065 2.287 -7.101 399 1HB PHE 50 1HB PHE 50 7.617 2.685 -5.213 400 2HB PHE 50 2HB PHE 50 8.807 3.357 -6.307 401 HD1 PHE 50 HD2 PHE 50 5.669 3.961 -4.564 402 HD2 PHE 50 HD1 PHE 50 8.559 5.610 -7.293 403 HE1 PHE 50 HE2 PHE 50 5.012 6.226 -3.870 404 HE2 PHE 50 HE1 PHE 50 7.909 7.896 -6.584 405 HZ PHE 50 HZ PHE 50 6.313 8.189 -4.705 406 H GLU 51 H GLU 51 9.308 2.763 -8.589 407 HA GLU 51 HA GLU 51 8.486 4.757 -10.420 408 1HB GLU 51 1HB GLU 51 10.858 4.173 -9.769 409 2HB GLU 51 2HB GLU 51 10.708 2.689 -10.722 410 1HG GLU 51 1HG GLU 51 11.894 4.438 -11.980 411 2HG GLU 51 2HG GLU 51 10.373 4.027 -12.779 412 H GLU 52 H GLU 52 8.632 1.226 -10.698 413 HA GLU 52 HA GLU 52 7.847 1.006 -13.386 414 1HB GLU 52 1HB GLU 52 8.710 -0.818 -11.906 415 2HB GLU 52 2HB GLU 52 7.108 -0.962 -11.186 416 1HG GLU 52 1HG GLU 52 7.689 -1.281 -14.167 417 2HG GLU 52 2HG GLU 52 7.677 -2.618 -13.012 418 H LEU 53 H LEU 53 5.805 1.340 -10.481 419 HA LEU 53 HA LEU 53 3.311 1.323 -11.942 420 1HB LEU 53 1HB LEU 53 4.006 2.465 -9.211 421 2HB LEU 53 2HB LEU 53 2.389 2.239 -9.865 422 HG LEU 53 HG LEU 53 4.382 0.016 -9.277 423 1HD1 LEU 53 3HD1 LEU 53 3.464 1.156 -7.264 424 2HD1 LEU 53 1HD1 LEU 53 1.820 0.786 -7.840 425 3HD1 LEU 53 2HD1 LEU 53 2.933 -0.526 -7.406 426 1HD2 LEU 53 3HD2 LEU 53 1.483 -0.153 -10.180 427 2HD2 LEU 53 1HD2 LEU 53 2.918 -0.687 -11.096 428 3HD2 LEU 53 2HD2 LEU 53 2.476 -1.515 -9.610 429 H ASP 54 H ASP 54 5.052 4.016 -10.400 430 HA ASP 54 HA ASP 54 3.661 5.954 -12.199 431 1HB ASP 54 1HB ASP 54 3.414 6.493 -9.858 432 2HB ASP 54 2HB ASP 54 5.151 6.319 -9.578 433 H LYS 55 H LYS 55 4.864 5.698 -14.077 434 HA LYS 55 HA LYS 55 7.749 5.888 -14.142 435 1HB LYS 55 1HB LYS 55 5.719 6.403 -16.273 436 2HB LYS 55 2HB LYS 55 7.487 6.353 -16.454 437 1HG LYS 55 1HG LYS 55 5.838 3.988 -15.402 438 2HG LYS 55 2HG LYS 55 6.245 4.233 -17.105 439 1HD LYS 55 1HD LYS 55 8.676 4.205 -16.534 440 2HD LYS 55 2HD LYS 55 8.251 3.850 -14.847 441 1HE LYS 55 1HE LYS 55 7.044 1.798 -15.596 442 2HE LYS 55 2HE LYS 55 7.560 2.118 -17.261 443 1HZ LYS 55 1HZ LYS 55 9.346 1.656 -14.976 444 2HZ LYS 55 2HZ LYS 55 8.992 0.568 -16.161 445 3HZ LYS 55 3HZ LYS 55 9.826 1.942 -16.528 446 H ASN 56 H ASN 56 7.849 7.512 -12.715 447 HA ASN 56 HA ASN 56 7.957 9.619 -11.791 448 1HB ASN 56 1HB ASN 56 9.773 10.872 -12.629 449 2HB ASN 56 2HB ASN 56 10.176 9.172 -12.771 450 1HD2 ASN 56 1HD2 ASN 56 10.946 11.309 -15.895 451 2HD2 ASN 56 2HD2 ASN 56 11.023 11.741 -14.188 452 H GLY 57 H GLY 57 5.541 9.574 -12.783 453 1HA GLY 57 1HA GLY 57 5.022 11.888 -14.522 454 2HA GLY 57 2HA GLY 57 3.829 10.849 -13.730 455 H ASP 58 H ASP 58 3.352 11.188 -11.454 456 HA ASP 58 HA ASP 58 3.583 14.001 -10.624 457 1HB ASP 58 1HB ASP 58 1.865 13.397 -9.055 458 2HB ASP 58 2HB ASP 58 1.383 12.909 -10.682 459 H GLY 59 H GLY 59 4.946 10.836 -9.844 460 1HA GLY 59 1HA GLY 59 6.912 10.567 -8.639 461 2HA GLY 59 2HA GLY 59 6.679 12.107 -7.811 462 H GLU 60 H GLU 60 3.838 10.132 -7.926 463 HA GLU 60 HA GLU 60 4.299 8.474 -5.624 464 1HB GLU 60 1HB GLU 60 2.272 10.748 -5.423 465 2HB GLU 60 2HB GLU 60 2.387 9.344 -4.339 466 1HG GLU 60 1HG GLU 60 4.815 10.048 -3.886 467 2HG GLU 60 2HG GLU 60 4.415 11.580 -4.683 468 H VAL 61 H VAL 61 2.103 7.244 -5.260 469 HA VAL 61 HA VAL 61 1.420 6.390 -8.059 470 HB VAL 61 HB VAL 61 1.711 4.920 -5.450 471 1HG1 VAL 61 1HG1 VAL 61 0.794 3.867 -8.165 472 2HG1 VAL 61 2HG1 VAL 61 1.290 2.855 -6.798 473 3HG1 VAL 61 3HG1 VAL 61 -0.133 3.879 -6.647 474 1HG2 VAL 61 1HG2 VAL 61 3.830 5.520 -6.656 475 2HG2 VAL 61 2HG2 VAL 61 3.555 3.775 -6.722 476 3HG2 VAL 61 3HG2 VAL 61 3.194 4.775 -8.131 477 H SER 62 H SER 62 -0.450 7.426 -8.591 478 HA SER 62 HA SER 62 -2.704 7.460 -6.753 479 1HB SER 62 1HB SER 62 -2.309 9.270 -8.411 480 2HB SER 62 2HB SER 62 -2.711 8.123 -9.706 481 HG SER 62 HG SER 62 -4.368 8.853 -7.491 482 H PHE 63 H PHE 63 -4.871 6.654 -7.697 483 HA PHE 63 HA PHE 63 -4.677 3.824 -7.514 484 1HB PHE 63 1HB PHE 63 -6.608 5.092 -6.683 485 2HB PHE 63 2HB PHE 63 -7.106 5.438 -8.341 486 HD1 PHE 63 HD1 PHE 63 -6.195 2.550 -6.105 487 HD2 PHE 63 HD2 PHE 63 -8.620 3.882 -9.409 488 HE1 PHE 63 HE1 PHE 63 -7.325 0.358 -6.157 489 HE2 PHE 63 HE2 PHE 63 -9.747 1.674 -9.456 490 HZ PHE 63 HZ PHE 63 -9.116 -0.090 -7.793 491 H GLU 64 H GLU 64 -5.202 5.955 -10.317 492 HA GLU 64 HA GLU 64 -5.878 3.889 -12.141 493 1HB GLU 64 1HB GLU 64 -4.510 6.579 -12.674 494 2HB GLU 64 2HB GLU 64 -5.229 5.525 -13.903 495 1HG GLU 64 1HG GLU 64 -7.444 5.730 -12.785 496 2HG GLU 64 2HG GLU 64 -6.742 6.832 -11.589 497 H GLU 65 H GLU 65 -2.677 5.515 -11.682 498 HA GLU 65 HA GLU 65 -1.287 3.637 -13.314 499 1HB GLU 65 1HB GLU 65 0.764 4.595 -12.387 500 2HB GLU 65 2HB GLU 65 -0.399 5.794 -12.951 501 1HG GLU 65 1HG GLU 65 -1.142 5.966 -10.455 502 2HG GLU 65 2HG GLU 65 0.375 5.132 -10.099 503 H PHE 66 H PHE 66 -2.006 3.583 -9.802 504 HA PHE 66 HA PHE 66 -0.608 1.232 -9.092 505 1HB PHE 66 1HB PHE 66 -1.675 2.505 -7.403 506 2HB PHE 66 2HB PHE 66 -3.180 2.477 -8.280 507 HD1 PHE 66 HD1 PHE 66 -0.951 0.305 -6.199 508 HD2 PHE 66 HD2 PHE 66 -4.818 0.922 -7.952 509 HE1 PHE 66 HE1 PHE 66 -1.900 -1.497 -4.765 510 HE2 PHE 66 HE2 PHE 66 -5.695 -1.062 -6.801 511 HZ PHE 66 HZ PHE 66 -4.271 -2.173 -5.019 512 H GLN 67 H GLN 67 -3.516 1.520 -11.185 513 HA GLN 67 HA GLN 67 -4.244 -1.196 -11.058 514 1HB GLN 67 1HB GLN 67 -4.366 0.500 -13.580 515 2HB GLN 67 2HB GLN 67 -5.175 -1.036 -13.295 516 1HG GLN 67 1HG GLN 67 -5.819 1.608 -11.989 517 2HG GLN 67 2HG GLN 67 -6.834 0.606 -13.017 518 1HE2 GLN 67 1HE2 GLN 67 -6.614 0.008 -8.975 519 2HE2 GLN 67 2HE2 GLN 67 -5.750 1.270 -9.830 520 H VAL 68 H VAL 68 -1.351 0.166 -12.496 521 HA VAL 68 HA VAL 68 -0.616 -1.985 -14.190 522 HB VAL 68 HB VAL 68 1.065 -0.091 -12.522 523 1HG1 VAL 68 3HG1 VAL 68 2.433 -2.072 -13.117 524 2HG1 VAL 68 1HG1 VAL 68 1.958 -1.879 -14.818 525 3HG1 VAL 68 2HG1 VAL 68 2.928 -0.634 -14.014 526 1HG2 VAL 68 1HG2 VAL 68 -0.378 0.975 -14.304 527 2HG2 VAL 68 2HG2 VAL 68 1.353 1.122 -14.629 528 3HG2 VAL 68 3HG2 VAL 68 0.384 -0.085 -15.499 529 H LEU 69 H LEU 69 -0.647 -1.661 -10.678 530 HA LEU 69 HA LEU 69 0.724 -4.200 -10.158 531 1HB LEU 69 1HB LEU 69 0.338 -1.912 -8.689 532 2HB LEU 69 2HB LEU 69 -1.023 -2.852 -8.103 533 HG LEU 69 HG LEU 69 1.924 -3.651 -8.045 534 1HD1 LEU 69 3HD1 LEU 69 1.249 -1.832 -6.459 535 2HD1 LEU 69 1HD1 LEU 69 0.007 -2.904 -5.790 536 3HD1 LEU 69 2HD1 LEU 69 1.725 -3.320 -5.622 537 1HD2 LEU 69 3HD2 LEU 69 -0.513 -5.085 -6.906 538 2HD2 LEU 69 1HD2 LEU 69 0.539 -5.681 -8.217 539 3HD2 LEU 69 2HD2 LEU 69 1.177 -5.522 -6.578 540 H VAL 70 H VAL 70 -2.638 -2.893 -10.031 541 HA VAL 70 HA VAL 70 -3.913 -5.211 -9.145 542 HB VAL 70 HB VAL 70 -5.016 -3.194 -11.133 543 1HG1 VAL 70 1HG1 VAL 70 -6.424 -5.287 -9.453 544 2HG1 VAL 70 2HG1 VAL 70 -7.230 -3.905 -10.226 545 3HG1 VAL 70 3HG1 VAL 70 -6.434 -5.126 -11.220 546 1HG2 VAL 70 3HG2 VAL 70 -5.172 -3.391 -8.083 547 2HG2 VAL 70 1HG2 VAL 70 -4.287 -2.154 -8.981 548 3HG2 VAL 70 2HG2 VAL 70 -6.055 -2.220 -9.061 549 H LYS 71 H LYS 71 -3.099 -4.414 -12.587 550 HA LYS 71 HA LYS 71 -4.351 -6.740 -13.638 551 1HB LYS 71 1HB LYS 71 -2.977 -6.443 -15.587 552 2HB LYS 71 2HB LYS 71 -3.704 -4.913 -15.041 553 1HG LYS 71 1HG LYS 71 -1.649 -4.034 -14.341 554 2HG LYS 71 2HG LYS 71 -0.834 -5.607 -14.354 555 1HD LYS 71 1HD LYS 71 -0.975 -5.753 -16.770 556 2HD LYS 71 2HD LYS 71 -1.899 -4.245 -16.854 557 1HE LYS 71 1HE LYS 71 0.559 -4.035 -17.420 558 2HE LYS 71 2HE LYS 71 -0.005 -2.934 -16.161 559 1HZ LYS 71 1HZ LYS 71 1.381 -5.476 -15.659 560 2HZ LYS 71 2HZ LYS 71 2.086 -3.986 -15.628 561 3HZ LYS 71 3HZ LYS 71 0.928 -4.367 -14.522 562 H LYS 72 H LYS 72 -1.199 -6.281 -12.155 563 HA LYS 72 HA LYS 72 -0.044 -8.867 -12.867 564 1HB LYS 72 1HB LYS 72 1.325 -7.009 -12.838 565 2HB LYS 72 2HB LYS 72 0.772 -6.449 -11.283 566 1HG LYS 72 1HG LYS 72 2.414 -8.977 -11.763 567 2HG LYS 72 2HG LYS 72 3.003 -7.396 -11.188 568 1HD LYS 72 1HD LYS 72 0.968 -7.674 -9.484 569 2HD LYS 72 2HD LYS 72 1.255 -9.399 -9.818 570 1HE LYS 72 1HE LYS 72 3.343 -7.438 -8.751 571 2HE LYS 72 2HE LYS 72 2.505 -8.682 -7.810 572 1HZ LYS 72 3HZ LYS 72 3.493 -10.340 -9.212 573 2HZ LYS 72 1HZ LYS 72 4.279 -9.191 -10.093 574 3HZ LYS 72 2HZ LYS 72 4.658 -9.414 -8.506 575 H ILE 73 H ILE 73 -1.747 -7.481 -10.073 576 HA ILE 73 HA ILE 73 -1.680 -9.912 -8.530 577 HB ILE 73 HB ILE 73 -3.814 -7.744 -8.578 578 1HG1 ILE 73 1HG1 ILE 73 -1.649 -6.843 -7.944 579 2HG1 ILE 73 2HG1 ILE 73 -2.769 -6.851 -6.587 580 1HG2 ILE 73 1HG2 ILE 73 -3.374 -10.043 -6.641 581 2HG2 ILE 73 2HG2 ILE 73 -4.360 -8.611 -6.273 582 3HG2 ILE 73 3HG2 ILE 73 -4.819 -9.679 -7.600 583 1HD1 ILE 73 3HD1 ILE 73 -1.610 -8.912 -5.706 584 2HD1 ILE 73 1HD1 ILE 73 -0.438 -8.762 -7.039 585 3HD1 ILE 73 2HD1 ILE 73 -0.572 -7.487 -5.820 586 H SER 74 H SER 74 -3.976 -8.689 -10.924 587 HA SER 74 HA SER 74 -5.819 -10.840 -10.772 588 1HB SER 74 1HB SER 74 -5.246 -9.095 -13.203 589 2HB SER 74 2HB SER 74 -6.718 -10.019 -12.867 590 HG SER 74 HG SER 74 -5.698 -7.849 -11.321 591 H GLN 75 H GLN 75 -2.956 -10.381 -12.795 592 HA GLN 75 HA GLN 75 -1.809 -11.735 -14.202 593 1HB GLN 75 1HB GLN 75 -1.324 -12.696 -11.932 594 2HB GLN 75 2HB GLN 75 -2.584 -13.911 -12.210 595 1HG GLN 75 1HG GLN 75 -1.334 -14.734 -14.202 596 2HG GLN 75 2HG GLN 75 -0.110 -13.474 -13.947 597 1HE2 GLN 75 1HE2 GLN 75 1.456 -16.397 -12.466 598 2HE2 GLN 75 2HE2 GLN 75 1.174 -15.665 -14.037 No H/Q in entry = 598 Start of MODEL 10 Raw file had 599 H/Q atoms Start of MODEL 10 1 1H LYS 1 2H LYS 1 -6.963 -9.959 -4.841 2 2H LYS 1 3H LYS 1 -7.078 -10.506 -3.255 3 3H LYS 1 1H LYS 1 -8.208 -10.999 -4.398 4 HA LYS 1 HA LYS 1 -9.139 -9.366 -2.961 5 1HB LYS 1 1HB LYS 1 -7.040 -7.540 -4.167 6 2HB LYS 1 2HB LYS 1 -8.201 -7.113 -2.902 7 1HG LYS 1 1HG LYS 1 -5.810 -8.996 -2.679 8 2HG LYS 1 2HG LYS 1 -5.915 -7.345 -2.057 9 1HD LYS 1 1HD LYS 1 -7.872 -8.157 -0.598 10 2HD LYS 1 2HD LYS 1 -7.381 -9.802 -1.050 11 1HE LYS 1 1HE LYS 1 -5.708 -7.683 0.393 12 2HE LYS 1 2HE LYS 1 -6.323 -9.189 1.080 13 1HZ LYS 1 1HZ LYS 1 -4.334 -8.981 -1.075 14 2HZ LYS 1 2HZ LYS 1 -4.002 -9.340 0.488 15 3HZ LYS 1 3HZ LYS 1 -4.896 -10.385 -0.423 16 H SER 2 H SER 2 -10.890 -8.145 -3.981 17 HA SER 2 HA SER 2 -11.023 -8.277 -6.903 18 1HB SER 2 1HB SER 2 -13.266 -7.327 -6.570 19 2HB SER 2 2HB SER 2 -13.011 -8.696 -5.478 20 HG SER 2 HG SER 2 -13.880 -6.956 -4.331 21 HA PRO 3 HA PRO 3 -9.558 -4.059 -7.658 22 1HB PRO 3 1HB PRO 3 -12.251 -3.667 -8.997 23 2HB PRO 3 2HB PRO 3 -10.641 -3.120 -9.551 24 1HG PRO 3 1HG PRO 3 -11.718 -5.361 -10.619 25 2HG PRO 3 2HG PRO 3 -10.005 -5.374 -10.104 26 1HD PRO 3 1HD PRO 3 -12.403 -6.465 -8.619 27 2HD PRO 3 2HD PRO 3 -10.791 -7.202 -8.871 28 H GLU 4 H GLU 4 -12.946 -4.499 -6.578 29 HA GLU 4 HA GLU 4 -13.336 -1.937 -5.413 30 1HB GLU 4 1HB GLU 4 -14.544 -4.634 -4.662 31 2HB GLU 4 2HB GLU 4 -15.159 -3.055 -4.163 32 1HG GLU 4 1HG GLU 4 -15.646 -2.445 -6.485 33 2HG GLU 4 2HG GLU 4 -14.951 -3.961 -7.081 34 H GLU 5 H GLU 5 -12.152 -5.006 -4.051 35 HA GLU 5 HA GLU 5 -11.828 -3.984 -1.357 36 1HB GLU 5 1HB GLU 5 -10.595 -6.340 -2.838 37 2HB GLU 5 2HB GLU 5 -10.196 -5.956 -1.162 38 1HG GLU 5 1HG GLU 5 -13.049 -6.472 -2.110 39 2HG GLU 5 2HG GLU 5 -11.990 -7.708 -1.415 40 H LEU 6 H LEU 6 -9.701 -4.298 -4.181 41 HA LEU 6 HA LEU 6 -7.379 -3.205 -2.982 42 1HB LEU 6 1HB LEU 6 -8.347 -3.292 -5.856 43 2HB LEU 6 2HB LEU 6 -6.801 -2.637 -5.373 44 HG LEU 6 HG LEU 6 -7.761 -5.507 -4.972 45 1HD1 LEU 6 3HD1 LEU 6 -6.938 -4.840 -7.259 46 2HD1 LEU 6 1HD1 LEU 6 -5.399 -4.383 -6.473 47 3HD1 LEU 6 2HD1 LEU 6 -5.928 -6.078 -6.475 48 1HD2 LEU 6 3HD2 LEU 6 -5.258 -4.105 -3.941 49 2HD2 LEU 6 1HD2 LEU 6 -6.406 -5.117 -3.025 50 3HD2 LEU 6 2HD2 LEU 6 -5.328 -5.850 -4.206 51 H LYS 7 H LYS 7 -10.073 -1.493 -4.626 52 HA LYS 7 HA LYS 7 -8.880 1.061 -4.265 53 1HB LYS 7 1HB LYS 7 -10.935 0.618 -5.618 54 2HB LYS 7 2HB LYS 7 -11.851 0.312 -4.156 55 1HG LYS 7 1HG LYS 7 -12.269 2.546 -5.071 56 2HG LYS 7 2HG LYS 7 -11.655 2.605 -3.418 57 1HD LYS 7 1HD LYS 7 -9.428 3.255 -4.184 58 2HD LYS 7 2HD LYS 7 -9.884 3.000 -5.873 59 1HE LYS 7 1HE LYS 7 -11.156 5.088 -4.047 60 2HE LYS 7 2HE LYS 7 -9.812 5.399 -5.156 61 1HZ LYS 7 3HZ LYS 7 -11.213 4.715 -6.961 62 2HZ LYS 7 1HZ LYS 7 -12.481 4.469 -5.937 63 3HZ LYS 7 2HZ LYS 7 -11.870 5.985 -6.141 64 H GLY 8 H GLY 8 -11.096 -0.727 -2.158 65 1HA GLY 8 1HA GLY 8 -11.248 1.030 0.039 66 2HA GLY 8 2HA GLY 8 -11.278 -0.737 0.183 67 H ILE 9 H ILE 9 -8.888 -1.572 -0.434 68 HA ILE 9 HA ILE 9 -7.085 -1.198 1.725 69 HB ILE 9 HB ILE 9 -6.724 -2.219 -1.100 70 1HG1 ILE 9 1HG1 ILE 9 -8.366 -3.243 0.809 71 2HG1 ILE 9 2HG1 ILE 9 -7.547 -4.216 -0.421 72 1HG2 ILE 9 1HG2 ILE 9 -4.843 -2.403 1.248 73 2HG2 ILE 9 2HG2 ILE 9 -4.740 -3.434 -0.208 74 3HG2 ILE 9 3HG2 ILE 9 -4.560 -1.686 -0.341 75 1HD1 ILE 9 1HD1 ILE 9 -6.454 -3.751 2.377 76 2HD1 ILE 9 2HD1 ILE 9 -7.500 -5.107 1.916 77 3HD1 ILE 9 3HD1 ILE 9 -5.924 -4.947 1.146 78 H PHE 10 H PHE 10 -6.910 0.053 -1.657 79 HA PHE 10 HA PHE 10 -4.552 1.506 -1.429 80 1HB PHE 10 1HB PHE 10 -5.887 0.992 -3.533 81 2HB PHE 10 2HB PHE 10 -7.038 2.196 -3.044 82 HD1 PHE 10 HD1 PHE 10 -6.262 4.610 -2.720 83 HD2 PHE 10 HD2 PHE 10 -3.827 1.600 -4.634 84 HE1 PHE 10 HE1 PHE 10 -4.619 6.278 -3.344 85 HE2 PHE 10 HE2 PHE 10 -2.429 3.398 -5.630 86 HZ PHE 10 HZ PHE 10 -2.873 5.760 -5.068 87 H GLU 11 H GLU 11 -7.923 2.518 -0.767 88 HA GLU 11 HA GLU 11 -7.292 5.226 -0.053 89 1HB GLU 11 1HB GLU 11 -9.692 3.465 0.569 90 2HB GLU 11 2HB GLU 11 -9.577 5.178 1.001 91 1HG GLU 11 1HG GLU 11 -9.274 5.808 -1.351 92 2HG GLU 11 2HG GLU 11 -9.317 4.122 -1.852 93 H LYS 12 H LYS 12 -7.828 2.279 1.940 94 HA LYS 12 HA LYS 12 -7.576 3.303 4.501 95 1HB LYS 12 1HB LYS 12 -8.070 1.032 4.280 96 2HB LYS 12 2HB LYS 12 -6.668 0.678 3.271 97 1HG LYS 12 1HG LYS 12 -5.120 0.823 5.014 98 2HG LYS 12 2HG LYS 12 -6.332 1.517 6.140 99 1HD LYS 12 1HD LYS 12 -7.660 -0.678 5.775 100 2HD LYS 12 2HD LYS 12 -6.194 -1.321 5.022 101 1HE LYS 12 1HE LYS 12 -6.483 -0.248 7.875 102 2HE LYS 12 2HE LYS 12 -6.363 -1.951 7.409 103 1HZ LYS 12 1HZ LYS 12 -4.270 0.060 6.978 104 2HZ LYS 12 2HZ LYS 12 -4.290 -1.064 8.182 105 3HZ LYS 12 3HZ LYS 12 -4.167 -1.546 6.613 106 H TYR 13 H TYR 13 -4.867 2.372 2.342 107 HA TYR 13 HA TYR 13 -2.919 3.350 4.311 108 1HB TYR 13 1HB TYR 13 -2.614 2.189 1.555 109 2HB TYR 13 2HB TYR 13 -1.271 2.717 2.572 110 HD1 TYR 13 HD1 TYR 13 -1.004 1.725 4.878 111 HD2 TYR 13 HD2 TYR 13 -3.888 0.151 2.170 112 HE1 TYR 13 HE1 TYR 13 -1.112 -0.390 6.202 113 HE2 TYR 13 HE2 TYR 13 -3.993 -1.960 3.386 114 HH TYR 13 HH TYR 13 -1.895 -2.650 6.182 115 H ALA 14 H ALA 14 -4.014 4.452 1.103 116 HA ALA 14 HA ALA 14 -2.296 6.682 0.824 117 1HB ALA 14 3HB ALA 14 -3.661 5.745 -1.006 118 2HB ALA 14 1HB ALA 14 -5.135 6.307 -0.191 119 3HB ALA 14 2HB ALA 14 -3.960 7.479 -0.817 120 H ALA 15 H ALA 15 -5.421 6.461 2.459 121 HA ALA 15 HA ALA 15 -5.928 9.135 3.006 122 1HB ALA 15 1HB ALA 15 -6.327 6.719 4.823 123 2HB ALA 15 2HB ALA 15 -7.091 8.306 5.048 124 3HB ALA 15 3HB ALA 15 -7.480 7.339 3.611 125 H LYS 16 H LYS 16 -3.397 7.030 4.433 126 HA LYS 16 HA LYS 16 -2.952 8.733 6.715 127 1HB LYS 16 1HB LYS 16 -1.108 6.666 5.487 128 2HB LYS 16 2HB LYS 16 -0.997 7.388 7.108 129 1HG LYS 16 1HG LYS 16 -3.373 6.486 7.516 130 2HG LYS 16 2HG LYS 16 -3.178 5.533 6.046 131 1HD LYS 16 1HD LYS 16 -1.552 5.324 8.620 132 2HD LYS 16 2HD LYS 16 -2.713 4.171 7.957 133 1HE LYS 16 1HE LYS 16 -0.704 3.179 7.348 134 2HE LYS 16 2HE LYS 16 -1.110 4.080 5.879 135 1HZ LYS 16 3HZ LYS 16 0.364 5.827 6.709 136 2HZ LYS 16 1HZ LYS 16 0.756 4.895 8.007 137 3HZ LYS 16 2HZ LYS 16 1.159 4.413 6.481 138 H GLU 17 H GLU 17 -1.838 8.771 3.350 139 HA GLU 17 HA GLU 17 0.214 10.841 3.858 140 1HB GLU 17 1HB GLU 17 -1.105 9.712 1.341 141 2HB GLU 17 2HB GLU 17 -0.179 11.202 1.299 142 1HG GLU 17 1HG GLU 17 0.914 8.556 2.302 143 2HG GLU 17 2HG GLU 17 1.135 9.190 0.666 144 H GLY 18 H GLY 18 -3.096 10.528 2.665 145 1HA GLY 18 1HA GLY 18 -4.520 12.311 3.947 146 2HA GLY 18 2HA GLY 18 -3.587 13.469 2.981 147 H ASP 19 H ASP 19 -3.378 12.647 0.556 148 HA ASP 19 HA ASP 19 -6.003 12.835 -0.545 149 1HB ASP 19 1HB ASP 19 -4.133 13.746 -1.755 150 2HB ASP 19 2HB ASP 19 -3.334 12.166 -1.817 151 HA PRO 20 HA PRO 20 -6.632 8.364 0.144 152 1HB PRO 20 1HB PRO 20 -9.093 8.142 -1.137 153 2HB PRO 20 2HB PRO 20 -8.868 8.662 0.568 154 1HG PRO 20 1HG PRO 20 -9.251 10.336 -1.920 155 2HG PRO 20 2HG PRO 20 -10.021 10.557 -0.323 156 1HD PRO 20 1HD PRO 20 -7.916 12.035 -1.085 157 2HD PRO 20 2HD PRO 20 -8.038 11.453 0.601 158 H ASN 21 H ASN 21 -6.688 10.094 -2.915 159 HA ASN 21 HA ASN 21 -6.901 7.758 -4.613 160 1HB ASN 21 1HB ASN 21 -6.190 10.636 -5.285 161 2HB ASN 21 2HB ASN 21 -6.706 9.380 -6.404 162 1HD2 ASN 21 1HD2 ASN 21 -9.469 11.508 -4.325 163 2HD2 ASN 21 2HD2 ASN 21 -7.745 11.752 -4.059 164 H GLN 22 H GLN 22 -4.213 9.000 -2.872 165 HA GLN 22 HA GLN 22 -2.316 7.959 -4.920 166 1HB GLN 22 1HB GLN 22 -2.774 10.329 -5.275 167 2HB GLN 22 2HB GLN 22 -2.252 10.697 -3.626 168 1HG GLN 22 1HG GLN 22 0.001 10.105 -4.137 169 2HG GLN 22 2HG GLN 22 -0.455 9.281 -5.644 170 1HE2 GLN 22 1HE2 GLN 22 0.322 13.247 -5.783 171 2HE2 GLN 22 2HE2 GLN 22 0.583 12.312 -4.316 172 H LEU 23 H LEU 23 -0.740 6.649 -4.113 173 HA LEU 23 HA LEU 23 -0.293 6.538 -1.181 174 1HB LEU 23 1HB LEU 23 0.346 4.636 -3.455 175 2HB LEU 23 2HB LEU 23 0.830 4.425 -1.789 176 HG LEU 23 HG LEU 23 -2.092 4.657 -2.504 177 1HD1 LEU 23 3HD1 LEU 23 -1.014 2.768 -3.774 178 2HD1 LEU 23 1HD1 LEU 23 -0.391 2.145 -2.238 179 3HD1 LEU 23 2HD1 LEU 23 -2.141 2.193 -2.522 180 1HD2 LEU 23 1HD2 LEU 23 -1.363 4.885 -0.090 181 2HD2 LEU 23 2HD2 LEU 23 -2.413 3.489 -0.403 182 3HD2 LEU 23 3HD2 LEU 23 -0.667 3.257 -0.196 183 H SER 24 H SER 24 1.724 6.926 -0.314 184 HA SER 24 HA SER 24 3.991 7.771 -1.976 185 1HB SER 24 1HB SER 24 5.062 8.026 0.269 186 2HB SER 24 2HB SER 24 3.515 8.862 0.168 187 HG SER 24 HG SER 24 3.385 7.681 2.036 188 H LYS 25 H LYS 25 6.158 6.654 -1.379 189 HA LYS 25 HA LYS 25 6.118 3.891 -1.921 190 1HB LYS 25 1HB LYS 25 8.192 5.596 -0.419 191 2HB LYS 25 2HB LYS 25 8.453 3.911 -0.890 192 1HG LYS 25 1HG LYS 25 8.160 4.508 -3.263 193 2HG LYS 25 2HG LYS 25 7.986 6.219 -2.809 194 1HD LYS 25 1HD LYS 25 10.257 6.179 -1.813 195 2HD LYS 25 2HD LYS 25 10.426 4.465 -2.250 196 1HE LYS 25 1HE LYS 25 10.172 5.044 -4.652 197 2HE LYS 25 2HE LYS 25 9.987 6.756 -4.226 198 1HZ LYS 25 3HZ LYS 25 12.194 6.698 -3.313 199 2HZ LYS 25 1HZ LYS 25 12.372 5.109 -3.725 200 3HZ LYS 25 2HZ LYS 25 12.200 6.253 -4.899 201 H GLU 26 H GLU 26 6.179 5.655 1.193 202 HA GLU 26 HA GLU 26 6.527 3.291 2.766 203 1HB GLU 26 1HB GLU 26 5.269 5.958 3.641 204 2HB GLU 26 2HB GLU 26 5.996 4.717 4.673 205 1HG GLU 26 1HG GLU 26 8.148 5.081 3.315 206 2HG GLU 26 2HG GLU 26 7.402 6.555 2.683 207 H GLU 27 H GLU 27 3.658 5.175 1.894 208 HA GLU 27 HA GLU 27 1.870 3.397 3.309 209 1HB GLU 27 1HB GLU 27 1.458 5.508 1.210 210 2HB GLU 27 2HB GLU 27 0.151 4.395 1.631 211 1HG GLU 27 1HG GLU 27 0.116 6.502 2.995 212 2HG GLU 27 2HG GLU 27 0.123 4.997 3.905 213 H LEU 28 H LEU 28 3.107 3.254 -0.124 214 HA LEU 28 HA LEU 28 1.784 0.760 -0.632 215 1HB LEU 28 1HB LEU 28 4.382 1.984 -1.619 216 2HB LEU 28 2HB LEU 28 3.898 0.357 -2.119 217 HG LEU 28 HG LEU 28 1.958 2.620 -2.274 218 1HD1 LEU 28 1HD1 LEU 28 4.053 1.959 -4.364 219 2HD1 LEU 28 2HD1 LEU 28 2.662 3.053 -4.594 220 3HD1 LEU 28 3HD1 LEU 28 3.911 3.460 -3.404 221 1HD2 LEU 28 1HD2 LEU 28 1.140 0.268 -2.726 222 2HD2 LEU 28 2HD2 LEU 28 1.042 1.267 -4.186 223 3HD2 LEU 28 3HD2 LEU 28 2.366 0.106 -3.995 224 H LYS 29 H LYS 29 4.904 1.357 1.008 225 HA LYS 29 HA LYS 29 5.536 -1.398 1.107 226 1HB LYS 29 1HB LYS 29 6.960 0.671 1.664 227 2HB LYS 29 2HB LYS 29 6.121 0.767 3.190 228 1HG LYS 29 1HG LYS 29 7.024 -1.494 3.828 229 2HG LYS 29 2HG LYS 29 7.794 -1.603 2.237 230 1HD LYS 29 1HD LYS 29 9.492 -0.908 3.766 231 2HD LYS 29 2HD LYS 29 9.079 0.498 2.765 232 1HE LYS 29 1HE LYS 29 7.701 1.425 4.611 233 2HE LYS 29 2HE LYS 29 8.005 -0.028 5.583 234 1HZ LYS 29 1HZ LYS 29 10.032 1.887 4.665 235 2HZ LYS 29 2HZ LYS 29 9.416 1.782 6.189 236 3HZ LYS 29 3HZ LYS 29 10.320 0.546 5.581 237 H LEU 30 H LEU 30 3.841 0.637 3.443 238 HA LEU 30 HA LEU 30 3.178 -1.475 5.253 239 1HB LEU 30 1HB LEU 30 2.081 1.288 4.703 240 2HB LEU 30 2HB LEU 30 1.118 0.203 5.691 241 HG LEU 30 HG LEU 30 2.552 1.763 6.976 242 1HD1 LEU 30 3HD1 LEU 30 1.630 -0.293 7.967 243 2HD1 LEU 30 1HD1 LEU 30 3.084 -1.192 7.491 244 3HD1 LEU 30 2HD1 LEU 30 3.202 0.130 8.663 245 1HD2 LEU 30 1HD2 LEU 30 4.603 1.716 5.608 246 2HD2 LEU 30 2HD2 LEU 30 4.926 1.292 7.293 247 3HD2 LEU 30 3HD2 LEU 30 4.884 0.019 6.062 248 H LEU 31 H LEU 31 1.331 -0.216 2.506 249 HA LEU 31 HA LEU 31 -0.900 -1.911 2.682 250 1HB LEU 31 1HB LEU 31 -0.589 0.002 1.151 251 2HB LEU 31 2HB LEU 31 0.491 -0.951 0.145 252 HG LEU 31 HG LEU 31 -2.358 -1.798 0.706 253 1HD1 LEU 31 1HD1 LEU 31 -1.255 -0.013 -1.510 254 2HD1 LEU 31 2HD1 LEU 31 -2.891 -0.682 -1.508 255 3HD1 LEU 31 3HD1 LEU 31 -2.412 0.471 -0.252 256 1HD2 LEU 31 3HD2 LEU 31 -0.408 -2.452 -1.553 257 2HD2 LEU 31 1HD2 LEU 31 -1.021 -3.591 -0.333 258 3HD2 LEU 31 2HD2 LEU 31 -2.117 -2.921 -1.532 259 H LEU 32 H LEU 32 2.120 -2.460 0.913 260 HA LEU 32 HA LEU 32 1.483 -5.128 0.054 261 1HB LEU 32 1HB LEU 32 4.215 -3.873 0.616 262 2HB LEU 32 2HB LEU 32 3.946 -5.408 -0.221 263 HG LEU 32 HG LEU 32 3.218 -2.628 -1.223 264 1HD1 LEU 32 3HD1 LEU 32 5.594 -3.316 -1.381 265 2HD1 LEU 32 1HD1 LEU 32 5.101 -4.763 -2.287 266 3HD1 LEU 32 2HD1 LEU 32 4.825 -3.147 -2.969 267 1HD2 LEU 32 3HD2 LEU 32 2.538 -5.317 -2.424 268 2HD2 LEU 32 1HD2 LEU 32 1.408 -4.038 -1.929 269 3HD2 LEU 32 2HD2 LEU 32 2.497 -3.769 -3.295 270 H GLN 33 H GLN 33 3.388 -3.971 2.885 271 HA GLN 33 HA GLN 33 4.053 -6.481 3.882 272 1HB GLN 33 1HB GLN 33 5.018 -4.337 4.627 273 2HB GLN 33 2HB GLN 33 3.487 -3.905 5.408 274 1HG GLN 33 1HG GLN 33 3.766 -5.698 7.041 275 2HG GLN 33 2HG GLN 33 5.139 -6.363 6.141 276 1HE2 GLN 33 1HE2 GLN 33 5.761 -2.726 8.021 277 2HE2 GLN 33 2HE2 GLN 33 4.193 -3.064 7.309 278 H THR 34 H THR 34 1.113 -4.600 4.500 279 HA THR 34 HA THR 34 0.145 -6.578 6.424 280 HB THR 34 HB THR 34 -1.625 -4.565 5.070 281 HG1 THR 34 HG1 THR 34 0.279 -3.456 5.776 282 1HG2 THR 34 3HG2 THR 34 -2.611 -6.199 6.682 283 2HG2 THR 34 1HG2 THR 34 -1.490 -5.615 7.930 284 3HG2 THR 34 2HG2 THR 34 -2.734 -4.535 7.273 285 H GLU 35 H GLU 35 -0.696 -5.718 3.003 286 HA GLU 35 HA GLU 35 -2.810 -7.756 3.011 287 1HB GLU 35 1HB GLU 35 -2.106 -5.485 1.086 288 2HB GLU 35 2HB GLU 35 -3.537 -6.514 1.023 289 1HG GLU 35 1HG GLU 35 -2.718 -4.517 3.188 290 2HG GLU 35 2HG GLU 35 -4.012 -4.341 2.046 291 H PHE 36 H PHE 36 0.354 -7.276 1.588 292 HA PHE 36 HA PHE 36 0.122 -9.840 0.117 293 1HB PHE 36 1HB PHE 36 0.948 -7.210 -1.153 294 2HB PHE 36 2HB PHE 36 1.068 -8.804 -1.882 295 HD1 PHE 36 HD1 PHE 36 -1.027 -10.157 -2.350 296 HD2 PHE 36 HD2 PHE 36 -1.049 -5.944 -1.427 297 HE1 PHE 36 HE1 PHE 36 -3.103 -9.888 -3.668 298 HE2 PHE 36 HE2 PHE 36 -3.106 -5.669 -2.835 299 HZ PHE 36 HZ PHE 36 -4.088 -7.652 -3.980 300 HA PRO 37 HA PRO 37 4.225 -9.276 2.392 301 1HB PRO 37 1HB PRO 37 3.478 -12.202 2.640 302 2HB PRO 37 2HB PRO 37 4.425 -11.195 3.776 303 1HG PRO 37 1HG PRO 37 1.807 -11.673 4.283 304 2HG PRO 37 2HG PRO 37 2.446 -10.013 4.461 305 1HD PRO 37 1HD PRO 37 0.870 -11.159 2.146 306 2HD PRO 37 2HD PRO 37 0.710 -9.584 2.978 307 H SER 38 H SER 38 2.817 -11.432 -0.073 308 HA SER 38 HA SER 38 5.128 -12.720 -1.114 309 1HB SER 38 1HB SER 38 3.469 -12.708 -3.154 310 2HB SER 38 2HB SER 38 2.983 -13.562 -1.675 311 HG SER 38 HG SER 38 1.327 -12.143 -2.435 312 H LEU 39 H LEU 39 3.267 -9.869 -2.107 313 HA LEU 39 HA LEU 39 5.123 -8.965 -4.094 314 1HB LEU 39 1HB LEU 39 2.947 -7.566 -2.549 315 2HB LEU 39 2HB LEU 39 3.853 -6.782 -3.862 316 HG LEU 39 HG LEU 39 2.112 -9.268 -4.143 317 1HD1 LEU 39 3HD1 LEU 39 0.878 -7.100 -3.763 318 2HD1 LEU 39 1HD1 LEU 39 1.703 -6.422 -5.175 319 3HD1 LEU 39 2HD1 LEU 39 0.587 -7.790 -5.365 320 1HD2 LEU 39 3HD2 LEU 39 3.675 -7.673 -6.223 321 2HD2 LEU 39 1HD2 LEU 39 3.863 -9.399 -5.831 322 3HD2 LEU 39 2HD2 LEU 39 2.391 -8.834 -6.616 323 H LEU 40 H LEU 40 4.741 -8.151 -0.648 324 HA LEU 40 HA LEU 40 6.698 -6.105 -0.577 325 1HB LEU 40 1HB LEU 40 5.237 -6.807 1.392 326 2HB LEU 40 2HB LEU 40 6.313 -8.192 1.595 327 HG LEU 40 HG LEU 40 8.248 -6.422 1.718 328 1HD1 LEU 40 1HD1 LEU 40 5.845 -4.667 2.376 329 2HD1 LEU 40 2HD1 LEU 40 7.546 -4.243 2.634 330 3HD1 LEU 40 3HD1 LEU 40 6.931 -4.456 0.989 331 1HD2 LEU 40 3HD2 LEU 40 6.245 -6.689 3.974 332 2HD2 LEU 40 1HD2 LEU 40 7.562 -7.813 3.596 333 3HD2 LEU 40 2HD2 LEU 40 7.930 -6.161 4.122 334 H LYS 41 H LYS 41 7.120 -9.617 -0.241 335 HA LYS 41 HA LYS 41 9.969 -9.478 0.084 336 1HB LYS 41 1HB LYS 41 8.024 -11.734 -0.505 337 2HB LYS 41 2HB LYS 41 9.753 -11.983 -0.237 338 1HG LYS 41 1HG LYS 41 9.643 -11.074 2.001 339 2HG LYS 41 2HG LYS 41 7.962 -10.564 1.781 340 1HD LYS 41 1HD LYS 41 7.263 -12.921 1.486 341 2HD LYS 41 2HD LYS 41 8.942 -13.453 1.729 342 1HE LYS 41 1HE LYS 41 8.920 -12.449 4.011 343 2HE LYS 41 2HE LYS 41 7.248 -11.913 3.758 344 1HZ LYS 41 3HZ LYS 41 6.614 -14.203 3.535 345 2HZ LYS 41 1HZ LYS 41 8.167 -14.702 3.770 346 3HZ LYS 41 2HZ LYS 41 7.352 -13.945 4.985 347 H GLY 42 H GLY 42 7.941 -10.427 -2.676 348 1HA GLY 42 1HA GLY 42 10.407 -10.603 -4.399 349 2HA GLY 42 2HA GLY 42 8.980 -11.631 -4.507 350 H GLY 43 H GLY 43 7.789 -8.512 -4.084 351 1HA GLY 43 1HA GLY 43 6.992 -8.345 -6.898 352 2HA GLY 43 2HA GLY 43 6.553 -7.252 -5.582 353 H SER 44 H SER 44 9.500 -8.283 -7.330 354 HA SER 44 HA SER 44 11.392 -7.188 -7.959 355 1HB SER 44 1HB SER 44 9.841 -5.952 -9.437 356 2HB SER 44 2HB SER 44 9.596 -4.724 -8.184 357 HG SER 44 HG SER 44 11.232 -4.247 -9.823 358 H THR 45 H THR 45 11.826 -4.288 -7.235 359 HA THR 45 HA THR 45 12.123 -4.495 -4.253 360 HB THR 45 HB THR 45 13.984 -2.808 -4.563 361 HG1 THR 45 HG1 THR 45 13.875 -3.737 -7.245 362 1HG2 THR 45 3HG2 THR 45 14.465 -5.189 -4.095 363 2HG2 THR 45 1HG2 THR 45 14.414 -5.557 -5.831 364 3HG2 THR 45 2HG2 THR 45 15.678 -4.490 -5.184 365 H LEU 46 H LEU 46 11.415 -2.664 -3.118 366 HA LEU 46 HA LEU 46 9.046 -1.669 -4.030 367 1HB LEU 46 1HB LEU 46 9.704 -1.712 -1.656 368 2HB LEU 46 2HB LEU 46 10.952 -0.495 -1.960 369 HG LEU 46 HG LEU 46 9.215 1.195 -2.476 370 1HD1 LEU 46 1HD1 LEU 46 7.249 -1.016 -1.698 371 2HD1 LEU 46 2HD1 LEU 46 6.837 0.698 -1.896 372 3HD1 LEU 46 3HD1 LEU 46 7.374 -0.240 -3.293 373 1HD2 LEU 46 1HD2 LEU 46 10.098 0.951 -0.193 374 2HD2 LEU 46 2HD2 LEU 46 8.400 1.455 -0.175 375 3HD2 LEU 46 3HD2 LEU 46 8.827 -0.233 0.182 376 H ASP 47 H ASP 47 12.126 0.095 -4.113 377 HA ASP 47 HA ASP 47 11.125 2.501 -5.167 378 1HB ASP 47 1HB ASP 47 13.851 1.180 -5.570 379 2HB ASP 47 2HB ASP 47 13.465 2.871 -5.898 380 H GLU 48 H GLU 48 12.415 -0.332 -6.880 381 HA GLU 48 HA GLU 48 12.040 0.766 -9.508 382 1HB GLU 48 1HB GLU 48 12.208 -2.146 -8.614 383 2HB GLU 48 2HB GLU 48 12.341 -1.567 -10.284 384 1HG GLU 48 1HG GLU 48 14.264 -0.881 -8.005 385 2HG GLU 48 2HG GLU 48 14.565 -2.010 -9.326 386 H LEU 49 H LEU 49 10.013 -1.273 -7.426 387 HA LEU 49 HA LEU 49 7.883 -1.632 -9.269 388 1HB LEU 49 1HB LEU 49 8.090 -2.924 -7.187 389 2HB LEU 49 2HB LEU 49 7.861 -1.458 -6.233 390 HG LEU 49 HG LEU 49 5.555 -1.217 -7.125 391 1HD1 LEU 49 1HD1 LEU 49 6.140 -3.895 -8.478 392 2HD1 LEU 49 2HD1 LEU 49 4.527 -3.175 -8.301 393 3HD1 LEU 49 3HD1 LEU 49 5.741 -2.367 -9.295 394 1HD2 LEU 49 1HD2 LEU 49 6.006 -2.396 -5.010 395 2HD2 LEU 49 2HD2 LEU 49 4.602 -3.083 -5.847 396 3HD2 LEU 49 3HD2 LEU 49 6.161 -3.932 -5.888 397 H PHE 50 H PHE 50 8.476 0.872 -6.814 398 HA PHE 50 HA PHE 50 6.138 2.384 -7.159 399 1HB PHE 50 1HB PHE 50 7.796 2.620 -5.333 400 2HB PHE 50 2HB PHE 50 8.941 3.331 -6.453 401 HD1 PHE 50 HD1 PHE 50 5.679 3.784 -4.768 402 HD2 PHE 50 HD2 PHE 50 8.721 5.703 -7.129 403 HE1 PHE 50 HE1 PHE 50 5.002 5.962 -3.843 404 HE2 PHE 50 HE2 PHE 50 8.051 7.903 -6.194 405 HZ PHE 50 HZ PHE 50 6.330 8.005 -4.402 406 H GLU 51 H GLU 51 9.339 2.794 -8.786 407 HA GLU 51 HA GLU 51 8.472 4.874 -10.535 408 1HB GLU 51 1HB GLU 51 10.604 2.728 -10.948 409 2HB GLU 51 2HB GLU 51 10.395 4.159 -11.969 410 1HG GLU 51 1HG GLU 51 11.087 4.214 -8.993 411 2HG GLU 51 2HG GLU 51 12.205 4.479 -10.329 412 H GLU 52 H GLU 52 8.470 1.352 -10.972 413 HA GLU 52 HA GLU 52 7.482 1.275 -13.607 414 1HB GLU 52 1HB GLU 52 8.403 -0.672 -12.334 415 2HB GLU 52 2HB GLU 52 6.909 -0.722 -11.384 416 1HG GLU 52 1HG GLU 52 5.609 -1.133 -13.478 417 2HG GLU 52 2HG GLU 52 7.127 -1.128 -14.392 418 H LEU 53 H LEU 53 5.707 1.538 -10.539 419 HA LEU 53 HA LEU 53 3.106 1.433 -11.828 420 1HB LEU 53 1HB LEU 53 3.952 2.269 -9.029 421 2HB LEU 53 2HB LEU 53 2.300 2.040 -9.606 422 HG LEU 53 HG LEU 53 4.382 -0.163 -9.400 423 1HD1 LEU 53 3HD1 LEU 53 3.532 0.693 -7.224 424 2HD1 LEU 53 1HD1 LEU 53 1.871 0.358 -7.767 425 3HD1 LEU 53 2HD1 LEU 53 3.030 -0.971 -7.557 426 1HD2 LEU 53 3HD2 LEU 53 1.475 -0.317 -10.231 427 2HD2 LEU 53 1HD2 LEU 53 2.903 -0.662 -11.244 428 3HD2 LEU 53 2HD2 LEU 53 2.547 -1.698 -9.875 429 H ASP 54 H ASP 54 5.063 4.059 -10.436 430 HA ASP 54 HA ASP 54 3.045 6.038 -11.024 431 1HB ASP 54 1HB ASP 54 4.475 6.331 -9.097 432 2HB ASP 54 2HB ASP 54 5.900 6.398 -10.130 433 H LYS 55 H LYS 55 3.126 5.043 -13.385 434 HA LYS 55 HA LYS 55 5.175 5.840 -15.166 435 1HB LYS 55 1HB LYS 55 2.266 5.071 -15.537 436 2HB LYS 55 2HB LYS 55 3.294 5.468 -16.924 437 1HG LYS 55 1HG LYS 55 4.258 3.472 -14.864 438 2HG LYS 55 2HG LYS 55 3.115 2.963 -16.111 439 1HD LYS 55 1HD LYS 55 4.611 3.434 -17.887 440 2HD LYS 55 2HD LYS 55 5.650 4.455 -16.890 441 1HE LYS 55 1HE LYS 55 6.666 2.241 -17.398 442 2HE LYS 55 2HE LYS 55 6.525 2.583 -15.666 443 1HZ LYS 55 1HZ LYS 55 4.589 0.954 -17.154 444 2HZ LYS 55 2HZ LYS 55 5.864 0.345 -16.297 445 3HZ LYS 55 3HZ LYS 55 4.689 1.186 -15.513 446 H ASN 56 H ASN 56 2.347 7.617 -14.021 447 HA ASN 56 HA ASN 56 2.791 9.768 -15.958 448 1HB ASN 56 1HB ASN 56 0.920 10.731 -15.275 449 2HB ASN 56 2HB ASN 56 0.554 9.119 -14.676 450 1HD2 ASN 56 1HD2 ASN 56 1.221 10.153 -11.207 451 2HD2 ASN 56 2HD2 ASN 56 1.724 8.899 -12.319 452 H GLY 57 H GLY 57 4.527 8.825 -13.197 453 1HA GLY 57 1HA GLY 57 6.279 9.766 -12.154 454 2HA GLY 57 2HA GLY 57 6.352 10.892 -13.513 455 H ASP 58 H ASP 58 3.623 10.683 -11.128 456 HA ASP 58 HA ASP 58 3.959 13.511 -10.600 457 1HB ASP 58 1HB ASP 58 1.988 13.389 -9.392 458 2HB ASP 58 2HB ASP 58 1.751 12.425 -10.835 459 H GLY 59 H GLY 59 5.360 10.689 -9.206 460 1HA GLY 59 1HA GLY 59 7.135 10.875 -7.668 461 2HA GLY 59 2HA GLY 59 6.425 12.318 -6.940 462 H GLU 60 H GLU 60 3.894 10.190 -7.442 463 HA GLU 60 HA GLU 60 4.232 8.328 -5.216 464 1HB GLU 60 1HB GLU 60 2.072 10.469 -5.381 465 2HB GLU 60 2HB GLU 60 1.989 9.044 -4.343 466 1HG GLU 60 1HG GLU 60 4.154 9.855 -3.254 467 2HG GLU 60 2HG GLU 60 3.916 11.378 -4.125 468 H VAL 61 H VAL 61 2.168 6.887 -5.313 469 HA VAL 61 HA VAL 61 1.650 6.388 -8.229 470 HB VAL 61 HB VAL 61 1.250 4.470 -5.919 471 1HG1 VAL 61 3HG1 VAL 61 -0.010 4.072 -8.085 472 2HG1 VAL 61 1HG1 VAL 61 1.560 4.073 -8.918 473 3HG1 VAL 61 2HG1 VAL 61 1.180 2.815 -7.714 474 1HG2 VAL 61 3HG2 VAL 61 3.631 4.766 -7.812 475 2HG2 VAL 61 1HG2 VAL 61 3.649 4.993 -6.052 476 3HG2 VAL 61 2HG2 VAL 61 3.359 3.390 -6.745 477 H SER 62 H SER 62 -0.279 7.188 -8.925 478 HA SER 62 HA SER 62 -2.486 7.648 -7.072 479 1HB SER 62 1HB SER 62 -3.670 8.493 -9.047 480 2HB SER 62 2HB SER 62 -2.098 9.269 -8.802 481 HG SER 62 HG SER 62 -1.256 8.126 -10.472 482 H PHE 63 H PHE 63 -4.598 6.654 -7.249 483 HA PHE 63 HA PHE 63 -4.581 3.893 -7.398 484 1HB PHE 63 1HB PHE 63 -6.348 5.152 -6.280 485 2HB PHE 63 2HB PHE 63 -6.982 5.699 -7.834 486 HD1 PHE 63 HD1 PHE 63 -6.181 2.574 -5.916 487 HD2 PHE 63 HD2 PHE 63 -8.604 4.327 -9.008 488 HE1 PHE 63 HE1 PHE 63 -7.495 0.489 -6.052 489 HE2 PHE 63 HE2 PHE 63 -9.885 2.213 -9.187 490 HZ PHE 63 HZ PHE 63 -9.358 0.296 -7.667 491 H GLU 64 H GLU 64 -5.118 6.074 -10.132 492 HA GLU 64 HA GLU 64 -6.161 4.037 -11.863 493 1HB GLU 64 1HB GLU 64 -6.433 6.471 -12.291 494 2HB GLU 64 2HB GLU 64 -4.689 6.636 -12.556 495 1HG GLU 64 1HG GLU 64 -5.892 6.528 -14.686 496 2HG GLU 64 2HG GLU 64 -4.852 5.113 -14.522 497 H GLU 65 H GLU 65 -2.835 5.513 -11.753 498 HA GLU 65 HA GLU 65 -1.826 3.500 -13.522 499 1HB GLU 65 1HB GLU 65 0.326 4.460 -13.179 500 2HB GLU 65 2HB GLU 65 -0.888 5.734 -13.322 501 1HG GLU 65 1HG GLU 65 -0.945 5.664 -10.703 502 2HG GLU 65 2HG GLU 65 0.584 4.797 -10.842 503 H PHE 66 H PHE 66 -2.190 3.565 -9.998 504 HA PHE 66 HA PHE 66 -0.676 1.319 -9.234 505 1HB PHE 66 1HB PHE 66 -1.775 2.558 -7.575 506 2HB PHE 66 2HB PHE 66 -3.290 2.486 -8.447 507 HD1 PHE 66 HD1 PHE 66 -1.023 0.341 -6.362 508 HD2 PHE 66 HD2 PHE 66 -4.931 0.949 -8.031 509 HE1 PHE 66 HE1 PHE 66 -1.958 -1.396 -4.839 510 HE2 PHE 66 HE2 PHE 66 -5.809 -0.985 -6.760 511 HZ PHE 66 HZ PHE 66 -4.366 -2.010 -4.970 512 H GLN 67 H GLN 67 -3.630 1.383 -11.286 513 HA GLN 67 HA GLN 67 -4.235 -1.373 -11.053 514 1HB GLN 67 1HB GLN 67 -4.497 0.324 -13.557 515 2HB GLN 67 2HB GLN 67 -5.234 -1.252 -13.261 516 1HG GLN 67 1HG GLN 67 -5.962 1.387 -11.975 517 2HG GLN 67 2HG GLN 67 -6.964 0.277 -12.887 518 1HE2 GLN 67 1HE2 GLN 67 -6.827 0.038 -8.877 519 2HE2 GLN 67 2HE2 GLN 67 -6.230 1.396 -9.811 520 H VAL 68 H VAL 68 -1.402 0.057 -12.558 521 HA VAL 68 HA VAL 68 -0.625 -2.165 -14.169 522 HB VAL 68 HB VAL 68 1.017 -0.111 -12.658 523 1HG1 VAL 68 1HG1 VAL 68 1.888 -2.080 -14.821 524 2HG1 VAL 68 2HG1 VAL 68 2.852 -0.706 -14.240 525 3HG1 VAL 68 3HG1 VAL 68 2.473 -2.036 -13.145 526 1HG2 VAL 68 1HG2 VAL 68 -0.496 0.796 -14.464 527 2HG2 VAL 68 2HG2 VAL 68 1.218 0.970 -14.857 528 3HG2 VAL 68 3HG2 VAL 68 0.261 -0.320 -15.611 529 H LEU 69 H LEU 69 -0.585 -1.684 -10.645 530 HA LEU 69 HA LEU 69 1.156 -3.937 -10.080 531 1HB LEU 69 1HB LEU 69 0.812 -2.096 -8.485 532 2HB LEU 69 2HB LEU 69 -0.895 -2.481 -8.338 533 HG LEU 69 HG LEU 69 0.999 -4.728 -7.752 534 1HD1 LEU 69 1HD1 LEU 69 0.679 -2.313 -5.923 535 2HD1 LEU 69 2HD1 LEU 69 1.370 -3.879 -5.445 536 3HD1 LEU 69 3HD1 LEU 69 2.182 -2.902 -6.672 537 1HD2 LEU 69 3HD2 LEU 69 -1.494 -3.623 -6.359 538 2HD2 LEU 69 1HD2 LEU 69 -1.468 -5.009 -7.463 539 3HD2 LEU 69 2HD2 LEU 69 -0.626 -5.099 -5.909 540 H VAL 70 H VAL 70 -2.368 -3.345 -10.272 541 HA VAL 70 HA VAL 70 -3.176 -5.975 -9.506 542 HB VAL 70 HB VAL 70 -4.681 -4.025 -11.326 543 1HG1 VAL 70 1HG1 VAL 70 -5.635 -6.231 -9.445 544 2HG1 VAL 70 2HG1 VAL 70 -6.674 -5.124 -10.367 545 3HG1 VAL 70 3HG1 VAL 70 -5.662 -6.298 -11.221 546 1HG2 VAL 70 3HG2 VAL 70 -4.372 -4.183 -8.318 547 2HG2 VAL 70 1HG2 VAL 70 -4.076 -2.775 -9.329 548 3HG2 VAL 70 2HG2 VAL 70 -5.735 -3.330 -9.088 549 H LYS 71 H LYS 71 -2.467 -4.500 -12.693 550 HA LYS 71 HA LYS 71 -2.843 -6.772 -14.312 551 1HB LYS 71 1HB LYS 71 -2.411 -4.691 -15.355 552 2HB LYS 71 2HB LYS 71 -0.878 -4.479 -14.508 553 1HG LYS 71 1HG LYS 71 0.134 -6.335 -15.693 554 2HG LYS 71 2HG LYS 71 -1.399 -6.698 -16.517 555 1HD LYS 71 1HD LYS 71 -1.343 -4.478 -17.606 556 2HD LYS 71 2HD LYS 71 0.155 -4.070 -16.753 557 1HE LYS 71 1HE LYS 71 -0.167 -6.394 -18.718 558 2HE LYS 71 2HE LYS 71 0.527 -4.815 -19.114 559 1HZ LYS 71 3HZ LYS 71 2.225 -5.216 -17.477 560 2HZ LYS 71 1HZ LYS 71 1.616 -6.711 -17.145 561 3HZ LYS 71 2HZ LYS 71 2.222 -6.384 -18.639 562 H LYS 72 H LYS 72 0.159 -5.729 -12.699 563 HA LYS 72 HA LYS 72 1.693 -7.996 -13.200 564 1HB LYS 72 1HB LYS 72 1.825 -5.840 -11.167 565 2HB LYS 72 2HB LYS 72 2.624 -7.348 -10.726 566 1HG LYS 72 1HG LYS 72 4.233 -5.944 -11.824 567 2HG LYS 72 2HG LYS 72 3.882 -7.351 -12.831 568 1HD LYS 72 1HD LYS 72 2.227 -5.815 -14.125 569 2HD LYS 72 2HD LYS 72 2.891 -4.486 -13.167 570 1HE LYS 72 1HE LYS 72 3.988 -4.552 -15.326 571 2HE LYS 72 2HE LYS 72 5.169 -5.015 -14.089 572 1HZ LYS 72 1HZ LYS 72 3.634 -6.923 -15.723 573 2HZ LYS 72 2HZ LYS 72 5.175 -6.423 -16.064 574 3HZ LYS 72 3HZ LYS 72 4.865 -7.274 -14.690 575 H ILE 73 H ILE 73 -0.594 -7.630 -10.501 576 HA ILE 73 HA ILE 73 -0.111 -10.236 -9.392 577 HB ILE 73 HB ILE 73 -2.697 -8.627 -9.357 578 1HG1 ILE 73 1HG1 ILE 73 -0.437 -8.895 -7.323 579 2HG1 ILE 73 2HG1 ILE 73 -0.842 -7.451 -8.258 580 1HG2 ILE 73 3HG2 ILE 73 -3.062 -11.083 -8.916 581 2HG2 ILE 73 1HG2 ILE 73 -1.873 -10.981 -7.602 582 3HG2 ILE 73 2HG2 ILE 73 -3.405 -10.086 -7.525 583 1HD1 ILE 73 3HD1 ILE 73 -3.092 -7.393 -7.151 584 2HD1 ILE 73 1HD1 ILE 73 -2.536 -8.702 -6.076 585 3HD1 ILE 73 2HD1 ILE 73 -1.719 -7.147 -6.056 586 H SER 74 H SER 74 -2.548 -9.144 -11.741 587 HA SER 74 HA SER 74 -3.770 -11.671 -11.989 588 1HB SER 74 1HB SER 74 -4.938 -10.780 -13.931 589 2HB SER 74 2HB SER 74 -4.873 -9.583 -12.625 590 HG SER 74 HG SER 74 -2.887 -8.834 -13.808 591 H GLN 75 H GLN 75 -1.230 -10.252 -14.032 592 HA GLN 75 HA GLN 75 -1.206 -12.468 -15.877 593 1HB GLN 75 1HB GLN 75 0.826 -11.569 -16.777 594 2HB GLN 75 2HB GLN 75 -0.318 -10.257 -16.467 595 1HG GLN 75 1HG GLN 75 0.895 -9.708 -14.375 596 2HG GLN 75 2HG GLN 75 2.072 -10.976 -14.694 597 1HE2 GLN 75 1HE2 GLN 75 3.604 -9.237 -17.477 598 2HE2 GLN 75 2HE2 GLN 75 3.134 -10.845 -16.957 No H/Q in entry = 598 Start of MODEL 11 Raw file had 599 H/Q atoms Start of MODEL 11 1 1H LYS 1 1H LYS 1 -9.621 -10.950 -5.048 2 2H LYS 1 2H LYS 1 -8.264 -9.969 -5.199 3 3H LYS 1 3H LYS 1 -8.539 -10.809 -3.769 4 HA LYS 1 HA LYS 1 -10.515 -9.556 -3.361 5 1HB LYS 1 1HB LYS 1 -8.028 -7.918 -3.995 6 2HB LYS 1 2HB LYS 1 -9.352 -7.343 -2.977 7 1HG LYS 1 1HG LYS 1 -7.613 -9.778 -2.361 8 2HG LYS 1 2HG LYS 1 -7.346 -8.149 -1.723 9 1HD LYS 1 1HD LYS 1 -9.617 -8.194 -0.672 10 2HD LYS 1 2HD LYS 1 -9.817 -9.872 -1.218 11 1HE LYS 1 1HE LYS 1 -7.806 -10.538 0.074 12 2HE LYS 1 2HE LYS 1 -7.595 -8.864 0.617 13 1HZ LYS 1 3HZ LYS 1 -9.725 -9.000 1.680 14 2HZ LYS 1 1HZ LYS 1 -9.925 -10.558 1.181 15 3HZ LYS 1 2HZ LYS 1 -8.719 -10.178 2.240 16 H SER 2 H SER 2 -12.081 -8.110 -4.122 17 HA SER 2 HA SER 2 -12.291 -7.779 -6.974 18 1HB SER 2 1HB SER 2 -14.317 -6.455 -6.407 19 2HB SER 2 2HB SER 2 -14.280 -7.994 -5.536 20 HG SER 2 HG SER 2 -13.707 -6.946 -3.697 21 HA PRO 3 HA PRO 3 -10.254 -3.782 -7.566 22 1HB PRO 3 1HB PRO 3 -12.912 -3.024 -8.819 23 2HB PRO 3 2HB PRO 3 -11.263 -2.639 -9.395 24 1HG PRO 3 1HG PRO 3 -12.615 -4.697 -10.521 25 2HG PRO 3 2HG PRO 3 -10.901 -4.925 -10.058 26 1HD PRO 3 1HD PRO 3 -13.371 -5.814 -8.556 27 2HD PRO 3 2HD PRO 3 -11.847 -6.699 -8.874 28 H GLU 4 H GLU 4 -13.618 -3.921 -6.348 29 HA GLU 4 HA GLU 4 -13.683 -1.370 -5.088 30 1HB GLU 4 1HB GLU 4 -15.175 -3.950 -4.433 31 2HB GLU 4 2HB GLU 4 -15.576 -2.344 -3.810 32 1HG GLU 4 1HG GLU 4 -16.020 -1.527 -6.092 33 2HG GLU 4 2HG GLU 4 -15.588 -3.100 -6.775 34 H GLU 5 H GLU 5 -12.761 -4.592 -3.890 35 HA GLU 5 HA GLU 5 -12.236 -3.729 -1.163 36 1HB GLU 5 1HB GLU 5 -11.322 -6.098 -2.818 37 2HB GLU 5 2HB GLU 5 -10.759 -5.838 -1.162 38 1HG GLU 5 1HG GLU 5 -12.937 -6.054 -0.236 39 2HG GLU 5 2HG GLU 5 -13.727 -5.920 -1.809 40 H LEU 6 H LEU 6 -10.266 -4.137 -4.084 41 HA LEU 6 HA LEU 6 -7.798 -3.304 -2.931 42 1HB LEU 6 1HB LEU 6 -8.852 -3.231 -5.782 43 2HB LEU 6 2HB LEU 6 -7.205 -2.849 -5.319 44 HG LEU 6 HG LEU 6 -8.614 -5.547 -5.031 45 1HD1 LEU 6 3HD1 LEU 6 -7.672 -4.948 -7.268 46 2HD1 LEU 6 1HD1 LEU 6 -6.080 -4.753 -6.491 47 3HD1 LEU 6 2HD1 LEU 6 -6.867 -6.343 -6.518 48 1HD2 LEU 6 3HD2 LEU 6 -5.964 -4.631 -3.876 49 2HD2 LEU 6 1HD2 LEU 6 -7.312 -5.440 -3.036 50 3HD2 LEU 6 2HD2 LEU 6 -6.338 -6.340 -4.196 51 H LYS 7 H LYS 7 -10.348 -1.374 -4.516 52 HA LYS 7 HA LYS 7 -9.058 1.133 -4.181 53 1HB LYS 7 1HB LYS 7 -11.228 0.714 -5.450 54 2HB LYS 7 2HB LYS 7 -12.042 0.541 -3.909 55 1HG LYS 7 1HG LYS 7 -12.509 2.730 -4.566 56 2HG LYS 7 2HG LYS 7 -11.298 2.883 -3.294 57 1HD LYS 7 1HD LYS 7 -9.545 3.043 -5.203 58 2HD LYS 7 2HD LYS 7 -10.919 3.185 -6.302 59 1HE LYS 7 1HE LYS 7 -10.110 5.056 -4.031 60 2HE LYS 7 2HE LYS 7 -10.083 5.395 -5.766 61 1HZ LYS 7 3HZ LYS 7 -12.494 5.180 -5.740 62 2HZ LYS 7 1HZ LYS 7 -12.463 4.957 -4.103 63 3HZ LYS 7 2HZ LYS 7 -11.965 6.386 -4.749 64 H GLY 8 H GLY 8 -11.177 -0.690 -2.009 65 1HA GLY 8 1HA GLY 8 -11.323 1.094 0.178 66 2HA GLY 8 2HA GLY 8 -11.359 -0.677 0.311 67 H ILE 9 H ILE 9 -8.965 -1.488 -0.452 68 HA ILE 9 HA ILE 9 -7.149 -1.061 1.671 69 HB ILE 9 HB ILE 9 -6.918 -2.267 -1.062 70 1HG1 ILE 9 1HG1 ILE 9 -8.382 -3.228 0.668 71 2HG1 ILE 9 2HG1 ILE 9 -7.083 -4.324 0.158 72 1HG2 ILE 9 1HG2 ILE 9 -4.724 -2.234 1.017 73 2HG2 ILE 9 2HG2 ILE 9 -4.800 -3.263 -0.437 74 3HG2 ILE 9 3HG2 ILE 9 -4.686 -1.517 -0.599 75 1HD1 ILE 9 3HD1 ILE 9 -5.916 -3.569 2.385 76 2HD1 ILE 9 1HD1 ILE 9 -7.485 -2.866 2.808 77 3HD1 ILE 9 2HD1 ILE 9 -7.354 -4.593 2.501 78 H PHE 10 H PHE 10 -7.032 0.142 -1.724 79 HA PHE 10 HA PHE 10 -4.694 1.632 -1.572 80 1HB PHE 10 1HB PHE 10 -6.060 1.120 -3.617 81 2HB PHE 10 2HB PHE 10 -7.252 2.276 -3.088 82 HD1 PHE 10 HD1 PHE 10 -6.620 4.722 -2.808 83 HD2 PHE 10 HD2 PHE 10 -3.996 1.853 -4.697 84 HE1 PHE 10 HE1 PHE 10 -5.053 6.483 -3.388 85 HE2 PHE 10 HE2 PHE 10 -2.639 3.737 -5.609 86 HZ PHE 10 HZ PHE 10 -3.179 6.059 -4.965 87 H GLU 11 H GLU 11 -8.041 2.657 -0.774 88 HA GLU 11 HA GLU 11 -7.300 5.318 0.027 89 1HB GLU 11 1HB GLU 11 -9.791 3.667 0.605 90 2HB GLU 11 2HB GLU 11 -9.557 5.358 1.087 91 1HG GLU 11 1HG GLU 11 -9.109 5.945 -1.326 92 2HG GLU 11 2HG GLU 11 -9.538 4.291 -1.771 93 H LYS 12 H LYS 12 -7.871 2.308 1.928 94 HA LYS 12 HA LYS 12 -7.545 3.223 4.524 95 1HB LYS 12 1HB LYS 12 -8.016 0.954 4.241 96 2HB LYS 12 2HB LYS 12 -6.669 0.673 3.140 97 1HG LYS 12 1HG LYS 12 -5.016 0.853 4.832 98 2HG LYS 12 2HG LYS 12 -6.238 1.236 6.072 99 1HD LYS 12 1HD LYS 12 -6.037 -1.342 4.427 100 2HD LYS 12 2HD LYS 12 -5.410 -1.131 6.068 101 1HE LYS 12 1HE LYS 12 -7.758 -0.639 6.847 102 2HE LYS 12 2HE LYS 12 -8.337 -1.030 5.213 103 1HZ LYS 12 3HZ LYS 12 -7.412 -3.204 5.458 104 2HZ LYS 12 1HZ LYS 12 -6.876 -2.854 6.977 105 3HZ LYS 12 2HZ LYS 12 -8.493 -2.892 6.662 106 H TYR 13 H TYR 13 -4.910 2.331 2.260 107 HA TYR 13 HA TYR 13 -2.911 3.228 4.208 108 1HB TYR 13 1HB TYR 13 -2.666 2.145 1.407 109 2HB TYR 13 2HB TYR 13 -1.304 2.609 2.432 110 HD1 TYR 13 HD1 TYR 13 -1.012 1.575 4.697 111 HD2 TYR 13 HD2 TYR 13 -3.921 0.076 1.958 112 HE1 TYR 13 HE1 TYR 13 -1.145 -0.556 5.987 113 HE2 TYR 13 HE2 TYR 13 -4.068 -2.037 3.181 114 HH TYR 13 HH TYR 13 -1.982 -2.854 5.888 115 H ALA 14 H ALA 14 -4.077 4.484 1.076 116 HA ALA 14 HA ALA 14 -2.304 6.693 0.896 117 1HB ALA 14 3HB ALA 14 -3.727 5.851 -0.956 118 2HB ALA 14 1HB ALA 14 -5.159 6.474 -0.114 119 3HB ALA 14 2HB ALA 14 -3.908 7.587 -0.714 120 H ALA 15 H ALA 15 -5.492 6.505 2.417 121 HA ALA 15 HA ALA 15 -5.809 9.177 3.227 122 1HB ALA 15 3HB ALA 15 -7.583 7.482 3.426 123 2HB ALA 15 1HB ALA 15 -6.645 6.641 4.692 124 3HB ALA 15 2HB ALA 15 -7.279 8.271 4.987 125 H LYS 16 H LYS 16 -3.677 6.637 4.539 126 HA LYS 16 HA LYS 16 -3.268 7.823 7.094 127 1HB LYS 16 1HB LYS 16 -2.731 5.449 6.230 128 2HB LYS 16 2HB LYS 16 -1.221 6.147 5.603 129 1HG LYS 16 1HG LYS 16 -0.714 6.967 7.931 130 2HG LYS 16 2HG LYS 16 -2.151 6.120 8.508 131 1HD LYS 16 1HD LYS 16 0.344 4.916 7.217 132 2HD LYS 16 2HD LYS 16 -0.166 4.747 8.898 133 1HE LYS 16 1HE LYS 16 -1.503 3.539 6.429 134 2HE LYS 16 2HE LYS 16 -0.656 2.686 7.721 135 1HZ LYS 16 3HZ LYS 16 -2.356 3.409 9.240 136 2HZ LYS 16 1HZ LYS 16 -3.159 4.182 8.024 137 3HZ LYS 16 2HZ LYS 16 -3.001 2.544 7.993 138 H GLU 17 H GLU 17 -1.910 8.398 3.872 139 HA GLU 17 HA GLU 17 0.168 10.240 4.818 140 1HB GLU 17 1HB GLU 17 0.181 8.868 2.639 141 2HB GLU 17 2HB GLU 17 -0.999 9.998 2.007 142 1HG GLU 17 1HG GLU 17 1.103 10.737 1.211 143 2HG GLU 17 2HG GLU 17 0.669 11.871 2.494 144 H GLY 18 H GLY 18 -2.989 10.309 3.229 145 1HA GLY 18 1HA GLY 18 -4.378 12.098 4.632 146 2HA GLY 18 2HA GLY 18 -3.362 13.225 3.713 147 H ASP 19 H ASP 19 -3.179 12.473 1.259 148 HA ASP 19 HA ASP 19 -5.791 12.881 0.173 149 1HB ASP 19 1HB ASP 19 -3.844 13.761 -0.955 150 2HB ASP 19 2HB ASP 19 -3.165 12.135 -1.152 151 HA PRO 20 HA PRO 20 -6.667 8.396 0.436 152 1HB PRO 20 1HB PRO 20 -9.114 8.437 -0.882 153 2HB PRO 20 2HB PRO 20 -8.888 8.748 0.873 154 1HG PRO 20 1HG PRO 20 -9.184 10.700 -1.410 155 2HG PRO 20 2HG PRO 20 -9.927 10.791 0.211 156 1HD PRO 20 1HD PRO 20 -7.747 12.232 -0.438 157 2HD PRO 20 2HD PRO 20 -7.899 11.511 1.189 158 H ASN 21 H ASN 21 -6.545 10.387 -2.445 159 HA ASN 21 HA ASN 21 -6.975 8.226 -4.331 160 1HB ASN 21 1HB ASN 21 -6.115 11.107 -4.789 161 2HB ASN 21 2HB ASN 21 -6.752 9.979 -5.976 162 1HD2 ASN 21 1HD2 ASN 21 -9.332 12.047 -3.608 163 2HD2 ASN 21 2HD2 ASN 21 -7.588 12.178 -3.381 164 H GLN 22 H GLN 22 -4.135 9.173 -2.630 165 HA GLN 22 HA GLN 22 -2.379 8.191 -4.828 166 1HB GLN 22 1HB GLN 22 -2.861 10.607 -5.072 167 2HB GLN 22 2HB GLN 22 -2.160 10.900 -3.478 168 1HG GLN 22 1HG GLN 22 0.010 10.251 -4.265 169 2HG GLN 22 2HG GLN 22 -0.645 9.556 -5.764 170 1HE2 GLN 22 1HE2 GLN 22 0.310 13.480 -5.749 171 2HE2 GLN 22 2HE2 GLN 22 0.742 12.434 -4.410 172 H LEU 23 H LEU 23 -0.798 6.828 -4.069 173 HA LEU 23 HA LEU 23 -0.266 6.674 -1.155 174 1HB LEU 23 1HB LEU 23 0.355 4.839 -3.481 175 2HB LEU 23 2HB LEU 23 0.767 4.553 -1.807 176 HG LEU 23 HG LEU 23 -2.123 4.883 -2.639 177 1HD1 LEU 23 3HD1 LEU 23 -1.057 3.071 -3.988 178 2HD1 LEU 23 1HD1 LEU 23 -0.424 2.360 -2.492 179 3HD1 LEU 23 2HD1 LEU 23 -2.177 2.400 -2.774 180 1HD2 LEU 23 1HD2 LEU 23 -1.455 4.941 -0.183 181 2HD2 LEU 23 2HD2 LEU 23 -2.556 3.616 -0.618 182 3HD2 LEU 23 3HD2 LEU 23 -0.832 3.288 -0.382 183 H SER 24 H SER 24 1.818 7.205 -0.374 184 HA SER 24 HA SER 24 3.990 7.718 -2.323 185 1HB SER 24 1HB SER 24 5.158 8.765 -0.638 186 2HB SER 24 2HB SER 24 3.499 9.191 -0.224 187 HG SER 24 HG SER 24 3.866 8.264 1.610 188 H LYS 25 H LYS 25 6.181 6.749 -1.339 189 HA LYS 25 HA LYS 25 6.125 4.003 -1.855 190 1HB LYS 25 1HB LYS 25 8.172 5.691 -0.327 191 2HB LYS 25 2HB LYS 25 8.445 4.014 -0.826 192 1HG LYS 25 1HG LYS 25 8.131 4.628 -3.187 193 2HG LYS 25 2HG LYS 25 7.880 6.325 -2.728 194 1HD LYS 25 1HD LYS 25 10.161 6.399 -1.763 195 2HD LYS 25 2HD LYS 25 10.417 4.703 -2.226 196 1HE LYS 25 1HE LYS 25 10.082 5.290 -4.613 197 2HE LYS 25 2HE LYS 25 9.781 6.978 -4.168 198 1HZ LYS 25 3HZ LYS 25 12.003 7.085 -3.305 199 2HZ LYS 25 1HZ LYS 25 12.296 5.518 -3.731 200 3HZ LYS 25 2HZ LYS 25 12.009 6.650 -4.893 201 H GLU 26 H GLU 26 6.000 5.711 1.301 202 HA GLU 26 HA GLU 26 6.369 3.286 2.804 203 1HB GLU 26 1HB GLU 26 6.854 5.544 3.731 204 2HB GLU 26 2HB GLU 26 5.132 5.962 3.651 205 1HG GLU 26 1HG GLU 26 4.599 4.180 5.277 206 2HG GLU 26 2HG GLU 26 6.292 3.663 5.287 207 H GLU 27 H GLU 27 3.481 5.093 1.849 208 HA GLU 27 HA GLU 27 1.623 3.326 3.130 209 1HB GLU 27 1HB GLU 27 1.210 5.003 0.617 210 2HB GLU 27 2HB GLU 27 -0.030 4.132 1.521 211 1HG GLU 27 1HG GLU 27 -0.233 6.289 2.345 212 2HG GLU 27 2HG GLU 27 0.674 5.449 3.610 213 H LEU 28 H LEU 28 3.070 3.261 -0.210 214 HA LEU 28 HA LEU 28 1.840 0.781 -0.918 215 1HB LEU 28 1HB LEU 28 4.507 1.991 -1.695 216 2HB LEU 28 2HB LEU 28 3.912 0.484 -2.398 217 HG LEU 28 HG LEU 28 2.162 2.930 -2.391 218 1HD1 LEU 28 3HD1 LEU 28 4.314 3.613 -3.274 219 2HD1 LEU 28 1HD1 LEU 28 4.305 2.231 -4.412 220 3HD1 LEU 28 2HD1 LEU 28 3.107 3.549 -4.558 221 1HD2 LEU 28 1HD2 LEU 28 1.184 0.706 -3.107 222 2HD2 LEU 28 2HD2 LEU 28 1.236 1.870 -4.442 223 3HD2 LEU 28 3HD2 LEU 28 2.447 0.580 -4.344 224 H LYS 29 H LYS 29 4.823 1.367 0.966 225 HA LYS 29 HA LYS 29 5.569 -1.378 0.933 226 1HB LYS 29 1HB LYS 29 6.879 0.727 1.633 227 2HB LYS 29 2HB LYS 29 6.004 0.675 3.142 228 1HG LYS 29 1HG LYS 29 6.984 -1.649 3.544 229 2HG LYS 29 2HG LYS 29 7.835 -1.492 2.007 230 1HD LYS 29 1HD LYS 29 9.429 -0.898 3.683 231 2HD LYS 29 2HD LYS 29 8.944 0.594 2.866 232 1HE LYS 29 1HE LYS 29 9.103 0.967 5.273 233 2HE LYS 29 2HE LYS 29 7.417 1.133 4.784 234 1HZ LYS 29 1HZ LYS 29 8.635 -1.235 6.027 235 2HZ LYS 29 2HZ LYS 29 7.643 -0.148 6.767 236 3HZ LYS 29 3HZ LYS 29 7.056 -1.124 5.578 237 H LEU 30 H LEU 30 3.740 0.512 3.321 238 HA LEU 30 HA LEU 30 3.121 -1.699 5.016 239 1HB LEU 30 1HB LEU 30 1.562 0.873 4.527 240 2HB LEU 30 2HB LEU 30 1.265 -0.229 5.878 241 HG LEU 30 HG LEU 30 3.927 1.201 5.421 242 1HD1 LEU 30 3HD1 LEU 30 2.103 2.811 5.845 243 2HD1 LEU 30 1HD1 LEU 30 1.641 1.901 7.302 244 3HD1 LEU 30 2HD1 LEU 30 3.219 2.713 7.218 245 1HD2 LEU 30 3HD2 LEU 30 2.815 -0.347 7.802 246 2HD2 LEU 30 1HD2 LEU 30 4.187 -0.827 6.779 247 3HD2 LEU 30 2HD2 LEU 30 4.314 0.604 7.804 248 H LEU 31 H LEU 31 1.289 -0.350 2.313 249 HA LEU 31 HA LEU 31 -0.922 -2.096 2.343 250 1HB LEU 31 1HB LEU 31 -0.642 -0.067 0.972 251 2HB LEU 31 2HB LEU 31 0.514 -0.891 -0.064 252 HG LEU 31 HG LEU 31 -2.326 -1.879 0.327 253 1HD1 LEU 31 1HD1 LEU 31 -1.241 0.095 -1.731 254 2HD1 LEU 31 2HD1 LEU 31 -2.859 -0.627 -1.789 255 3HD1 LEU 31 3HD1 LEU 31 -2.426 0.454 -0.456 256 1HD2 LEU 31 3HD2 LEU 31 -0.260 -2.323 -1.880 257 2HD2 LEU 31 1HD2 LEU 31 -0.935 -3.557 -0.792 258 3HD2 LEU 31 2HD2 LEU 31 -1.966 -2.798 -1.993 259 H LEU 32 H LEU 32 2.161 -2.403 0.617 260 HA LEU 32 HA LEU 32 1.706 -4.962 -0.514 261 1HB LEU 32 1HB LEU 32 4.277 -3.564 0.299 262 2HB LEU 32 2HB LEU 32 4.268 -5.137 -0.495 263 HG LEU 32 HG LEU 32 2.840 -2.778 -1.763 264 1HD1 LEU 32 3HD1 LEU 32 5.200 -2.094 -1.352 265 2HD1 LEU 32 1HD1 LEU 32 5.761 -3.573 -2.157 266 3HD1 LEU 32 2HD1 LEU 32 4.872 -2.338 -3.072 267 1HD2 LEU 32 3HD2 LEU 32 4.090 -5.319 -2.887 268 2HD2 LEU 32 1HD2 LEU 32 2.352 -5.010 -2.684 269 3HD2 LEU 32 2HD2 LEU 32 3.290 -4.043 -3.830 270 H GLN 33 H GLN 33 3.414 -4.154 2.554 271 HA GLN 33 HA GLN 33 3.912 -6.777 3.410 272 1HB GLN 33 1HB GLN 33 3.246 -4.259 4.994 273 2HB GLN 33 2HB GLN 33 3.739 -5.774 5.755 274 1HG GLN 33 1HG GLN 33 5.904 -5.718 4.664 275 2HG GLN 33 2HG GLN 33 5.449 -4.308 3.706 276 1HE2 GLN 33 1HE2 GLN 33 6.253 -3.818 7.731 277 2HE2 GLN 33 2HE2 GLN 33 5.783 -5.398 7.131 278 H THR 34 H THR 34 1.021 -4.805 4.037 279 HA THR 34 HA THR 34 -0.143 -6.843 5.702 280 HB THR 34 HB THR 34 -1.712 -4.648 4.310 281 HG1 THR 34 HG1 THR 34 0.129 -3.754 5.366 282 1HG2 THR 34 1HG2 THR 34 -2.003 -6.092 6.992 283 2HG2 THR 34 2HG2 THR 34 -3.077 -4.813 6.414 284 3HG2 THR 34 3HG2 THR 34 -3.019 -6.357 5.561 285 H GLU 35 H GLU 35 -0.874 -5.806 2.324 286 HA GLU 35 HA GLU 35 -2.921 -7.920 2.133 287 1HB GLU 35 1HB GLU 35 -2.252 -5.377 0.610 288 2HB GLU 35 2HB GLU 35 -3.340 -6.597 -0.067 289 1HG GLU 35 1HG GLU 35 -3.687 -5.312 2.689 290 2HG GLU 35 2HG GLU 35 -4.424 -4.720 1.200 291 H PHE 36 H PHE 36 0.258 -7.167 0.775 292 HA PHE 36 HA PHE 36 -0.004 -9.569 -0.984 293 1HB PHE 36 1HB PHE 36 1.176 -6.917 -1.836 294 2HB PHE 36 2HB PHE 36 0.937 -8.342 -2.833 295 HD1 PHE 36 HD1 PHE 36 -1.913 -9.060 -2.336 296 HD2 PHE 36 HD2 PHE 36 -0.049 -5.199 -2.862 297 HE1 PHE 36 HE1 PHE 36 -3.995 -8.179 -3.351 298 HE2 PHE 36 HE2 PHE 36 -2.108 -4.369 -3.958 299 HZ PHE 36 HZ PHE 36 -4.046 -5.869 -4.253 300 HA PRO 37 HA PRO 37 4.006 -9.178 1.443 301 1HB PRO 37 1HB PRO 37 3.932 -11.606 2.731 302 2HB PRO 37 2HB PRO 37 3.181 -10.118 3.375 303 1HG PRO 37 1HG PRO 37 1.827 -12.344 1.836 304 2HG PRO 37 2HG PRO 37 1.283 -11.565 3.352 305 1HD PRO 37 1HD PRO 37 0.303 -10.838 0.924 306 2HD PRO 37 2HD PRO 37 0.580 -9.606 2.178 307 H SER 38 H SER 38 2.403 -11.603 -0.582 308 HA SER 38 HA SER 38 4.491 -13.321 -1.218 309 1HB SER 38 1HB SER 38 2.373 -12.488 -3.212 310 2HB SER 38 2HB SER 38 2.961 -14.110 -2.799 311 HG SER 38 HG SER 38 0.885 -13.726 -1.896 312 H LEU 39 H LEU 39 3.710 -10.060 -2.322 313 HA LEU 39 HA LEU 39 5.415 -10.129 -4.694 314 1HB LEU 39 1HB LEU 39 3.938 -8.026 -3.110 315 2HB LEU 39 2HB LEU 39 4.984 -7.585 -4.477 316 HG LEU 39 HG LEU 39 2.501 -9.353 -4.587 317 1HD1 LEU 39 3HD1 LEU 39 2.108 -6.891 -4.251 318 2HD1 LEU 39 1HD1 LEU 39 3.053 -6.568 -5.714 319 3HD1 LEU 39 2HD1 LEU 39 1.523 -7.458 -5.822 320 1HD2 LEU 39 3HD2 LEU 39 4.395 -8.461 -6.807 321 2HD2 LEU 39 1HD2 LEU 39 3.990 -10.132 -6.349 322 3HD2 LEU 39 2HD2 LEU 39 2.766 -9.106 -7.091 323 H LEU 40 H LEU 40 5.873 -9.557 -1.250 324 HA LEU 40 HA LEU 40 8.377 -8.043 -1.692 325 1HB LEU 40 1HB LEU 40 7.179 -9.106 0.840 326 2HB LEU 40 2HB LEU 40 8.582 -8.035 0.634 327 HG LEU 40 HG LEU 40 5.694 -7.326 -0.126 328 1HD1 LEU 40 3HD1 LEU 40 6.023 -7.491 2.316 329 2HD1 LEU 40 1HD1 LEU 40 7.399 -6.370 2.213 330 3HD1 LEU 40 2HD1 LEU 40 5.763 -5.812 1.802 331 1HD2 LEU 40 3HD2 LEU 40 8.277 -5.692 -0.156 332 2HD2 LEU 40 1HD2 LEU 40 7.235 -6.081 -1.546 333 3HD2 LEU 40 2HD2 LEU 40 6.660 -4.983 -0.287 334 H LYS 41 H LYS 41 8.955 -9.735 -2.984 335 HA LYS 41 HA LYS 41 10.749 -11.726 -1.692 336 1HB LYS 41 1HB LYS 41 9.342 -11.691 -4.374 337 2HB LYS 41 2HB LYS 41 10.595 -12.842 -3.959 338 1HG LYS 41 1HG LYS 41 8.137 -12.579 -2.180 339 2HG LYS 41 2HG LYS 41 8.091 -13.427 -3.697 340 1HD LYS 41 1HD LYS 41 8.410 -15.048 -2.017 341 2HD LYS 41 2HD LYS 41 9.870 -14.977 -2.998 342 1HE LYS 41 1HE LYS 41 10.292 -15.258 -0.563 343 2HE LYS 41 2HE LYS 41 11.072 -13.820 -1.203 344 1HZ LYS 41 1HZ LYS 41 8.498 -13.876 0.235 345 2HZ LYS 41 2HZ LYS 41 9.946 -13.455 0.896 346 3HZ LYS 41 3HZ LYS 41 9.277 -12.514 -0.270 347 H GLY 42 H GLY 42 12.247 -11.860 -4.286 348 1HA GLY 42 1HA GLY 42 13.836 -9.408 -4.140 349 2HA GLY 42 2HA GLY 42 14.043 -10.771 -5.248 350 H GLY 43 H GLY 43 11.352 -8.456 -4.604 351 1HA GLY 43 1HA GLY 43 10.607 -8.353 -7.437 352 2HA GLY 43 2HA GLY 43 9.849 -7.504 -6.079 353 H SER 44 H SER 44 13.067 -7.558 -7.722 354 HA SER 44 HA SER 44 14.624 -6.068 -8.020 355 1HB SER 44 1HB SER 44 14.092 -4.227 -9.304 356 2HB SER 44 2HB SER 44 12.979 -5.489 -9.786 357 HG SER 44 HG SER 44 11.450 -4.442 -8.241 358 H THR 45 H THR 45 12.709 -3.311 -7.071 359 HA THR 45 HA THR 45 13.439 -3.461 -4.258 360 HB THR 45 HB THR 45 14.362 -1.155 -4.190 361 HG1 THR 45 HG1 THR 45 14.513 -1.403 -7.002 362 1HG2 THR 45 3HG2 THR 45 15.960 -3.067 -4.282 363 2HG2 THR 45 1HG2 THR 45 16.050 -2.890 -6.046 364 3HG2 THR 45 2HG2 THR 45 16.605 -1.576 -4.995 365 H LEU 46 H LEU 46 12.092 -1.913 -3.052 366 HA LEU 46 HA LEU 46 9.516 -1.418 -4.040 367 1HB LEU 46 1HB LEU 46 10.082 -1.333 -1.650 368 2HB LEU 46 2HB LEU 46 11.193 0.015 -1.934 369 HG LEU 46 HG LEU 46 9.320 1.492 -2.526 370 1HD1 LEU 46 1HD1 LEU 46 7.559 -0.914 -1.842 371 2HD1 LEU 46 2HD1 LEU 46 6.974 0.746 -2.066 372 3HD1 LEU 46 3HD1 LEU 46 7.680 -0.126 -3.431 373 1HD2 LEU 46 1HD2 LEU 46 10.089 1.353 -0.195 374 2HD2 LEU 46 2HD2 LEU 46 8.340 1.641 -0.261 375 3HD2 LEU 46 3HD2 LEU 46 8.955 0.021 0.116 376 H ASP 47 H ASP 47 12.388 0.663 -4.063 377 HA ASP 47 HA ASP 47 11.296 2.938 -5.260 378 1HB ASP 47 1HB ASP 47 14.089 1.749 -5.561 379 2HB ASP 47 2HB ASP 47 13.628 3.416 -5.926 380 H GLU 48 H GLU 48 12.933 0.215 -6.892 381 HA GLU 48 HA GLU 48 12.376 1.166 -9.531 382 1HB GLU 48 1HB GLU 48 12.946 -1.612 -8.467 383 2HB GLU 48 2HB GLU 48 12.725 -1.290 -10.186 384 1HG GLU 48 1HG GLU 48 14.824 0.158 -8.498 385 2HG GLU 48 2HG GLU 48 15.141 -1.306 -9.444 386 H LEU 49 H LEU 49 10.495 -0.989 -7.416 387 HA LEU 49 HA LEU 49 8.436 -1.524 -9.294 388 1HB LEU 49 1HB LEU 49 8.716 -2.780 -7.205 389 2HB LEU 49 2HB LEU 49 8.327 -1.341 -6.260 390 HG LEU 49 HG LEU 49 6.025 -1.327 -7.170 391 1HD1 LEU 49 1HD1 LEU 49 6.920 -3.858 -8.627 392 2HD1 LEU 49 2HD1 LEU 49 5.229 -3.361 -8.422 393 3HD1 LEU 49 3HD1 LEU 49 6.324 -2.354 -9.368 394 1HD2 LEU 49 1HD2 LEU 49 6.561 -2.541 -5.085 395 2HD2 LEU 49 2HD2 LEU 49 5.242 -3.322 -5.975 396 3HD2 LEU 49 3HD2 LEU 49 6.876 -4.017 -6.022 397 H PHE 50 H PHE 50 8.813 1.072 -6.908 398 HA PHE 50 HA PHE 50 6.367 2.418 -7.300 399 1HB PHE 50 1HB PHE 50 8.020 2.807 -5.475 400 2HB PHE 50 2HB PHE 50 9.109 3.564 -6.618 401 HD1 PHE 50 HD1 PHE 50 5.929 3.859 -4.831 402 HD2 PHE 50 HD2 PHE 50 8.715 5.887 -7.401 403 HE1 PHE 50 HE1 PHE 50 5.173 6.021 -3.910 404 HE2 PHE 50 HE2 PHE 50 7.969 8.069 -6.480 405 HZ PHE 50 HZ PHE 50 6.313 8.130 -4.628 406 H GLU 51 H GLU 51 9.554 2.904 -8.912 407 HA GLU 51 HA GLU 51 8.609 4.852 -10.757 408 1HB GLU 51 1HB GLU 51 10.864 2.826 -10.997 409 2HB GLU 51 2HB GLU 51 10.580 4.133 -12.154 410 1HG GLU 51 1HG GLU 51 11.220 4.510 -9.193 411 2HG GLU 51 2HG GLU 51 12.312 4.800 -10.550 412 H GLU 52 H GLU 52 8.775 1.323 -11.034 413 HA GLU 52 HA GLU 52 7.811 1.067 -13.654 414 1HB GLU 52 1HB GLU 52 8.664 -0.806 -12.197 415 2HB GLU 52 2HB GLU 52 7.101 -0.800 -11.360 416 1HG GLU 52 1HG GLU 52 5.957 -1.274 -13.535 417 2HG GLU 52 2HG GLU 52 7.543 -1.352 -14.319 418 H LEU 53 H LEU 53 5.929 1.423 -10.647 419 HA LEU 53 HA LEU 53 3.360 1.377 -11.969 420 1HB LEU 53 1HB LEU 53 4.209 2.447 -9.254 421 2HB LEU 53 2HB LEU 53 2.549 2.226 -9.805 422 HG LEU 53 HG LEU 53 4.590 -0.015 -9.444 423 1HD1 LEU 53 3HD1 LEU 53 3.853 1.003 -7.320 424 2HD1 LEU 53 1HD1 LEU 53 2.158 0.728 -7.787 425 3HD1 LEU 53 2HD1 LEU 53 3.245 -0.648 -7.507 426 1HD2 LEU 53 3HD2 LEU 53 1.645 -0.162 -10.157 427 2HD2 LEU 53 1HD2 LEU 53 3.024 -0.638 -11.188 428 3HD2 LEU 53 2HD2 LEU 53 2.690 -1.537 -9.719 429 H ASP 54 H ASP 54 5.199 4.070 -10.544 430 HA ASP 54 HA ASP 54 3.828 5.994 -12.385 431 1HB ASP 54 1HB ASP 54 3.295 6.415 -10.069 432 2HB ASP 54 2HB ASP 54 4.990 6.333 -9.593 433 H LYS 55 H LYS 55 5.304 5.981 -14.112 434 HA LYS 55 HA LYS 55 8.166 6.196 -13.673 435 1HB LYS 55 1HB LYS 55 6.495 6.730 -16.087 436 2HB LYS 55 2HB LYS 55 8.265 6.807 -15.990 437 1HG LYS 55 1HG LYS 55 6.677 4.301 -15.234 438 2HG LYS 55 2HG LYS 55 7.210 4.605 -16.883 439 1HD LYS 55 1HD LYS 55 9.107 4.381 -14.504 440 2HD LYS 55 2HD LYS 55 8.674 3.064 -15.588 441 1HE LYS 55 1HE LYS 55 9.593 4.364 -17.521 442 2HE LYS 55 2HE LYS 55 10.112 5.635 -16.397 443 1HZ LYS 55 1HZ LYS 55 11.002 2.846 -16.333 444 2HZ LYS 55 2HZ LYS 55 11.870 4.133 -16.885 445 3HZ LYS 55 3HZ LYS 55 11.471 4.032 -15.288 446 H ASN 56 H ASN 56 7.964 7.760 -12.175 447 HA ASN 56 HA ASN 56 8.019 9.784 -11.163 448 1HB ASN 56 1HB ASN 56 9.895 10.951 -11.596 449 2HB ASN 56 2HB ASN 56 10.266 9.401 -12.344 450 1HD2 ASN 56 1HD2 ASN 56 9.689 11.242 -15.665 451 2HD2 ASN 56 2HD2 ASN 56 8.692 10.061 -14.831 452 H GLY 57 H GLY 57 5.610 9.658 -12.511 453 1HA GLY 57 1HA GLY 57 5.153 12.146 -13.975 454 2HA GLY 57 2HA GLY 57 3.946 10.962 -13.456 455 H ASP 58 H ASP 58 3.248 10.971 -11.175 456 HA ASP 58 HA ASP 58 3.176 13.670 -10.022 457 1HB ASP 58 1HB ASP 58 1.461 12.701 -8.598 458 2HB ASP 58 2HB ASP 58 1.087 12.471 -10.307 459 H GLY 59 H GLY 59 5.131 10.873 -9.697 460 1HA GLY 59 1HA GLY 59 6.859 10.444 -8.266 461 2HA GLY 59 2HA GLY 59 6.572 11.989 -7.447 462 H GLU 60 H GLU 60 4.069 9.550 -7.927 463 HA GLU 60 HA GLU 60 4.118 8.225 -5.396 464 1HB GLU 60 1HB GLU 60 2.066 10.445 -5.839 465 2HB GLU 60 2HB GLU 60 1.875 9.100 -4.706 466 1HG GLU 60 1HG GLU 60 4.099 9.883 -3.647 467 2HG GLU 60 2HG GLU 60 3.842 11.389 -4.549 468 H VAL 61 H VAL 61 1.930 6.956 -5.336 469 HA VAL 61 HA VAL 61 1.321 6.113 -8.164 470 HB VAL 61 HB VAL 61 1.399 4.532 -5.597 471 1HG1 VAL 61 3HG1 VAL 61 -0.381 3.755 -7.181 472 2HG1 VAL 61 1HG1 VAL 61 0.866 3.525 -8.423 473 3HG1 VAL 61 2HG1 VAL 61 0.906 2.572 -6.929 474 1HG2 VAL 61 3HG2 VAL 61 3.147 4.551 -8.122 475 2HG2 VAL 61 1HG2 VAL 61 3.663 5.018 -6.493 476 3HG2 VAL 61 2HG2 VAL 61 3.269 3.330 -6.849 477 H SER 62 H SER 62 -0.529 7.048 -8.726 478 HA SER 62 HA SER 62 -2.754 7.480 -6.922 479 1HB SER 62 1HB SER 62 -2.778 7.613 -9.956 480 2HB SER 62 2HB SER 62 -3.825 8.461 -8.800 481 HG SER 62 HG SER 62 -1.051 8.881 -9.287 482 H PHE 63 H PHE 63 -4.940 6.511 -7.333 483 HA PHE 63 HA PHE 63 -4.856 3.732 -7.315 484 1HB PHE 63 1HB PHE 63 -6.712 5.018 -6.387 485 2HB PHE 63 2HB PHE 63 -7.246 5.466 -8.011 486 HD1 PHE 63 HD1 PHE 63 -6.422 2.402 -5.975 487 HD2 PHE 63 HD2 PHE 63 -8.911 4.085 -9.062 488 HE1 PHE 63 HE1 PHE 63 -7.784 0.350 -5.979 489 HE2 PHE 63 HE2 PHE 63 -10.248 2.000 -9.100 490 HZ PHE 63 HZ PHE 63 -9.741 0.158 -7.495 491 H GLU 64 H GLU 64 -5.302 5.783 -10.176 492 HA GLU 64 HA GLU 64 -6.081 3.631 -11.882 493 1HB GLU 64 1HB GLU 64 -6.420 6.029 -12.444 494 2HB GLU 64 2HB GLU 64 -4.671 6.251 -12.607 495 1HG GLU 64 1HG GLU 64 -5.722 5.986 -14.799 496 2HG GLU 64 2HG GLU 64 -4.652 4.617 -14.493 497 H GLU 65 H GLU 65 -2.840 5.242 -11.570 498 HA GLU 65 HA GLU 65 -1.560 3.259 -13.156 499 1HB GLU 65 1HB GLU 65 0.541 4.244 -12.463 500 2HB GLU 65 2HB GLU 65 -0.655 5.448 -12.941 501 1HG GLU 65 1HG GLU 65 -1.162 5.614 -10.369 502 2HG GLU 65 2HG GLU 65 0.412 4.831 -10.184 503 H PHE 66 H PHE 66 -2.239 3.321 -9.652 504 HA PHE 66 HA PHE 66 -0.786 1.063 -8.829 505 1HB PHE 66 1HB PHE 66 -1.969 2.259 -7.211 506 2HB PHE 66 2HB PHE 66 -3.440 2.240 -8.154 507 HD1 PHE 66 HD1 PHE 66 -1.238 -0.075 -6.158 508 HD2 PHE 66 HD2 PHE 66 -5.126 0.744 -7.788 509 HE1 PHE 66 HE1 PHE 66 -2.181 -1.953 -4.848 510 HE2 PHE 66 HE2 PHE 66 -6.062 -1.222 -6.617 511 HZ PHE 66 HZ PHE 66 -4.626 -2.463 -4.965 512 H GLN 67 H GLN 67 -3.666 1.138 -10.995 513 HA GLN 67 HA GLN 67 -4.234 -1.638 -10.811 514 1HB GLN 67 1HB GLN 67 -4.474 0.060 -13.323 515 2HB GLN 67 2HB GLN 67 -5.244 -1.493 -13.000 516 1HG GLN 67 1HG GLN 67 -5.884 1.173 -11.718 517 2HG GLN 67 2HG GLN 67 -6.920 0.139 -12.685 518 1HE2 GLN 67 1HE2 GLN 67 -7.051 -0.161 -8.716 519 2HE2 GLN 67 2HE2 GLN 67 -6.401 1.201 -9.612 520 H VAL 68 H VAL 68 -1.411 -0.102 -12.236 521 HA VAL 68 HA VAL 68 -0.607 -2.300 -13.902 522 HB VAL 68 HB VAL 68 1.043 -0.203 -12.465 523 1HG1 VAL 68 1HG1 VAL 68 1.810 -2.127 -14.699 524 2HG1 VAL 68 2HG1 VAL 68 2.789 -0.750 -14.151 525 3HG1 VAL 68 3HG1 VAL 68 2.486 -2.100 -13.055 526 1HG2 VAL 68 1HG2 VAL 68 -0.579 0.722 -14.145 527 2HG2 VAL 68 2HG2 VAL 68 1.102 0.908 -14.654 528 3HG2 VAL 68 3HG2 VAL 68 0.099 -0.374 -15.362 529 H LEU 69 H LEU 69 -0.508 -1.747 -10.407 530 HA LEU 69 HA LEU 69 1.370 -3.870 -9.818 531 1HB LEU 69 1HB LEU 69 0.826 -1.815 -8.395 532 2HB LEU 69 2HB LEU 69 -0.729 -2.533 -8.024 533 HG LEU 69 HG LEU 69 0.919 -2.697 -6.244 534 1HD1 LEU 69 3HD1 LEU 69 -0.968 -4.344 -6.449 535 2HD1 LEU 69 1HD1 LEU 69 0.188 -5.481 -7.182 536 3HD1 LEU 69 2HD1 LEU 69 0.440 -4.911 -5.531 537 1HD2 LEU 69 1HD2 LEU 69 2.939 -3.047 -7.656 538 2HD2 LEU 69 2HD2 LEU 69 2.795 -4.187 -6.308 539 3HD2 LEU 69 3HD2 LEU 69 2.413 -4.721 -7.955 540 H VAL 70 H VAL 70 -2.168 -3.391 -9.650 541 HA VAL 70 HA VAL 70 -2.898 -6.011 -8.870 542 HB VAL 70 HB VAL 70 -4.481 -4.129 -10.690 543 1HG1 VAL 70 1HG1 VAL 70 -5.364 -6.317 -8.758 544 2HG1 VAL 70 2HG1 VAL 70 -6.443 -5.231 -9.663 545 3HG1 VAL 70 3HG1 VAL 70 -5.439 -6.398 -10.531 546 1HG2 VAL 70 3HG2 VAL 70 -4.211 -4.198 -7.657 547 2HG2 VAL 70 1HG2 VAL 70 -3.847 -2.835 -8.724 548 3HG2 VAL 70 2HG2 VAL 70 -5.518 -3.348 -8.519 549 H LYS 71 H LYS 71 -2.419 -4.620 -12.142 550 HA LYS 71 HA LYS 71 -2.934 -6.956 -13.637 551 1HB LYS 71 1HB LYS 71 -2.771 -4.924 -14.787 552 2HB LYS 71 2HB LYS 71 -1.168 -4.553 -14.119 553 1HG LYS 71 1HG LYS 71 -0.084 -6.187 -15.430 554 2HG LYS 71 2HG LYS 71 -1.606 -6.978 -15.874 555 1HD LYS 71 1HD LYS 71 -0.633 -5.712 -17.735 556 2HD LYS 71 2HD LYS 71 -2.252 -5.146 -17.323 557 1HE LYS 71 1HE LYS 71 0.223 -3.760 -16.203 558 2HE LYS 71 2HE LYS 71 -0.362 -3.412 -17.836 559 1HZ LYS 71 3HZ LYS 71 -2.465 -2.803 -16.941 560 2HZ LYS 71 1HZ LYS 71 -1.957 -3.092 -15.403 561 3HZ LYS 71 2HZ LYS 71 -1.264 -1.887 -16.284 562 H LYS 72 H LYS 72 0.204 -5.794 -12.385 563 HA LYS 72 HA LYS 72 1.736 -8.030 -13.065 564 1HB LYS 72 1HB LYS 72 2.001 -5.892 -11.006 565 2HB LYS 72 2HB LYS 72 2.823 -7.401 -10.620 566 1HG LYS 72 1HG LYS 72 4.398 -6.053 -11.752 567 2HG LYS 72 2HG LYS 72 3.947 -7.366 -12.846 568 1HD LYS 72 1HD LYS 72 2.310 -5.717 -13.950 569 2HD LYS 72 2HD LYS 72 3.008 -4.467 -12.902 570 1HE LYS 72 1HE LYS 72 5.280 -5.011 -13.866 571 2HE LYS 72 2HE LYS 72 4.492 -6.129 -14.990 572 1HZ LYS 72 3HZ LYS 72 3.245 -4.277 -15.849 573 2HZ LYS 72 1HZ LYS 72 3.985 -3.243 -14.799 574 3HZ LYS 72 2HZ LYS 72 4.865 -3.996 -15.970 575 H ILE 73 H ILE 73 -0.271 -7.719 -10.143 576 HA ILE 73 HA ILE 73 0.386 -10.203 -8.974 577 HB ILE 73 HB ILE 73 -2.321 -8.814 -8.945 578 1HG1 ILE 73 1HG1 ILE 73 -0.007 -8.925 -6.956 579 2HG1 ILE 73 2HG1 ILE 73 -0.441 -7.546 -7.974 580 1HG2 ILE 73 1HG2 ILE 73 -1.329 -11.121 -7.224 581 2HG2 ILE 73 2HG2 ILE 73 -2.851 -10.232 -6.997 582 3HG2 ILE 73 3HG2 ILE 73 -2.633 -11.210 -8.427 583 1HD1 ILE 73 3HD1 ILE 73 -2.674 -7.449 -6.824 584 2HD1 ILE 73 1HD1 ILE 73 -2.060 -8.664 -5.673 585 3HD1 ILE 73 2HD1 ILE 73 -1.267 -7.095 -5.801 586 H SER 74 H SER 74 -1.743 -9.558 -11.697 587 HA SER 74 HA SER 74 -2.819 -10.907 -13.177 588 1HB SER 74 1HB SER 74 -1.192 -12.399 -14.338 589 2HB SER 74 2HB SER 74 -0.582 -10.770 -14.055 590 HG SER 74 HG SER 74 0.648 -11.516 -12.354 591 H GLN 75 H GLN 75 -0.912 -13.609 -12.139 592 HA GLN 75 HA GLN 75 -1.521 -15.811 -11.767 593 1HB GLN 75 1HB GLN 75 -1.515 -14.630 -9.564 594 2HB GLN 75 2HB GLN 75 -3.273 -14.443 -9.680 595 1HG GLN 75 1HG GLN 75 -3.511 -16.931 -9.770 596 2HG GLN 75 2HG GLN 75 -1.753 -17.097 -9.642 597 1HE2 GLN 75 1HE2 GLN 75 -1.751 -15.899 -6.167 598 2HE2 GLN 75 2HE2 GLN 75 -0.872 -15.594 -7.657 No H/Q in entry = 598 Start of MODEL 12 Raw file had 599 H/Q atoms Start of MODEL 12 1 1H LYS 1 1H LYS 1 -9.047 -11.097 -5.101 2 2H LYS 1 2H LYS 1 -7.713 -10.126 -5.427 3 3H LYS 1 3H LYS 1 -7.889 -10.833 -3.911 4 HA LYS 1 HA LYS 1 -9.847 -9.558 -3.491 5 1HB LYS 1 1HB LYS 1 -7.482 -7.890 -4.452 6 2HB LYS 1 2HB LYS 1 -8.711 -7.363 -3.298 7 1HG LYS 1 1HG LYS 1 -6.649 -9.572 -2.866 8 2HG LYS 1 2HG LYS 1 -6.627 -7.930 -2.213 9 1HD LYS 1 1HD LYS 1 -8.964 -8.556 -1.172 10 2HD LYS 1 2HD LYS 1 -8.500 -10.223 -1.532 11 1HE LYS 1 1HE LYS 1 -7.912 -9.690 0.771 12 2HE LYS 1 2HE LYS 1 -6.415 -9.901 -0.154 13 1HZ LYS 1 1HZ LYS 1 -7.668 -7.303 0.435 14 2HZ LYS 1 2HZ LYS 1 -6.431 -7.958 1.315 15 3HZ LYS 1 3HZ LYS 1 -6.196 -7.550 -0.258 16 H SER 2 H SER 2 -11.410 -7.977 -4.290 17 HA SER 2 HA SER 2 -11.686 -7.955 -7.203 18 1HB SER 2 1HB SER 2 -13.823 -6.843 -6.732 19 2HB SER 2 2HB SER 2 -13.640 -8.286 -5.726 20 HG SER 2 HG SER 2 -14.331 -6.565 -4.449 21 HA PRO 3 HA PRO 3 -9.907 -3.838 -7.861 22 1HB PRO 3 1HB PRO 3 -12.605 -3.230 -9.098 23 2HB PRO 3 2HB PRO 3 -10.980 -2.773 -9.687 24 1HG PRO 3 1HG PRO 3 -12.233 -4.904 -10.787 25 2HG PRO 3 2HG PRO 3 -10.510 -5.046 -10.326 26 1HD PRO 3 1HD PRO 3 -12.932 -6.025 -8.802 27 2HD PRO 3 2HD PRO 3 -11.378 -6.853 -9.125 28 H GLU 4 H GLU 4 -13.284 -4.104 -6.701 29 HA GLU 4 HA GLU 4 -13.467 -1.567 -5.430 30 1HB GLU 4 1HB GLU 4 -14.877 -4.193 -4.791 31 2HB GLU 4 2HB GLU 4 -15.359 -2.595 -4.208 32 1HG GLU 4 1HG GLU 4 -15.803 -1.837 -6.499 33 2HG GLU 4 2HG GLU 4 -15.254 -3.382 -7.165 34 H GLU 5 H GLU 5 -12.485 -4.774 -4.203 35 HA GLU 5 HA GLU 5 -12.158 -3.866 -1.488 36 1HB GLU 5 1HB GLU 5 -12.385 -6.294 -2.501 37 2HB GLU 5 2HB GLU 5 -10.623 -6.214 -2.622 38 1HG GLU 5 1HG GLU 5 -12.339 -5.832 -0.109 39 2HG GLU 5 2HG GLU 5 -11.480 -7.311 -0.546 40 H LEU 6 H LEU 6 -10.028 -4.238 -4.286 41 HA LEU 6 HA LEU 6 -7.619 -3.367 -3.086 42 1HB LEU 6 1HB LEU 6 -8.629 -3.386 -5.954 43 2HB LEU 6 2HB LEU 6 -7.036 -2.820 -5.529 44 HG LEU 6 HG LEU 6 -8.007 -5.508 -4.523 45 1HD1 LEU 6 1HD1 LEU 6 -6.696 -5.025 -7.217 46 2HD1 LEU 6 2HD1 LEU 6 -6.806 -6.601 -6.406 47 3HD1 LEU 6 3HD1 LEU 6 -8.286 -5.753 -6.915 48 1HD2 LEU 6 1HD2 LEU 6 -5.842 -4.476 -3.630 49 2HD2 LEU 6 2HD2 LEU 6 -5.611 -6.027 -4.457 50 3HD2 LEU 6 3HD2 LEU 6 -5.211 -4.513 -5.283 51 H LYS 7 H LYS 7 -10.205 -1.456 -4.687 52 HA LYS 7 HA LYS 7 -8.942 1.050 -4.291 53 1HB LYS 7 1HB LYS 7 -11.021 0.705 -5.624 54 2HB LYS 7 2HB LYS 7 -11.928 0.422 -4.155 55 1HG LYS 7 1HG LYS 7 -12.266 2.691 -5.004 56 2HG LYS 7 2HG LYS 7 -11.604 2.679 -3.369 57 1HD LYS 7 1HD LYS 7 -9.365 3.247 -4.220 58 2HD LYS 7 2HD LYS 7 -9.945 3.102 -5.893 59 1HE LYS 7 1HE LYS 7 -11.441 5.017 -5.578 60 2HE LYS 7 2HE LYS 7 -11.007 5.119 -3.864 61 1HZ LYS 7 1HZ LYS 7 -9.160 5.503 -6.108 62 2HZ LYS 7 2HZ LYS 7 -9.806 6.699 -5.172 63 3HZ LYS 7 3HZ LYS 7 -8.769 5.604 -4.509 64 H GLY 8 H GLY 8 -11.150 -0.756 -2.202 65 1HA GLY 8 1HA GLY 8 -11.292 0.930 0.043 66 2HA GLY 8 2HA GLY 8 -11.301 -0.841 0.135 67 H ILE 9 H ILE 9 -8.909 -1.649 -0.531 68 HA ILE 9 HA ILE 9 -7.104 -1.242 1.631 69 HB ILE 9 HB ILE 9 -6.711 -2.276 -1.175 70 1HG1 ILE 9 1HG1 ILE 9 -8.369 -3.295 0.700 71 2HG1 ILE 9 2HG1 ILE 9 -7.518 -4.247 -0.525 72 1HG2 ILE 9 1HG2 ILE 9 -4.869 -2.492 1.223 73 2HG2 ILE 9 2HG2 ILE 9 -4.757 -3.471 -0.257 74 3HG2 ILE 9 3HG2 ILE 9 -4.544 -1.723 -0.341 75 1HD1 ILE 9 1HD1 ILE 9 -6.494 -3.808 2.309 76 2HD1 ILE 9 2HD1 ILE 9 -7.505 -5.175 1.809 77 3HD1 ILE 9 3HD1 ILE 9 -5.910 -4.979 1.080 78 H PHE 10 H PHE 10 -6.962 0.002 -1.759 79 HA PHE 10 HA PHE 10 -4.627 1.497 -1.582 80 1HB PHE 10 1HB PHE 10 -5.959 1.010 -3.652 81 2HB PHE 10 2HB PHE 10 -7.173 2.138 -3.119 82 HD1 PHE 10 HD1 PHE 10 -6.546 4.594 -2.744 83 HD2 PHE 10 HD2 PHE 10 -3.987 1.795 -4.806 84 HE1 PHE 10 HE1 PHE 10 -4.959 6.361 -3.275 85 HE2 PHE 10 HE2 PHE 10 -2.671 3.710 -5.714 86 HZ PHE 10 HZ PHE 10 -3.171 6.000 -4.959 87 H GLU 11 H GLU 11 -7.983 2.494 -0.806 88 HA GLU 11 HA GLU 11 -7.329 5.183 -0.032 89 1HB GLU 11 1HB GLU 11 -9.709 3.400 0.612 90 2HB GLU 11 2HB GLU 11 -9.582 5.103 1.081 91 1HG GLU 11 1HG GLU 11 -9.368 5.789 -1.266 92 2HG GLU 11 2HG GLU 11 -9.426 4.111 -1.802 93 H LYS 12 H LYS 12 -7.877 2.194 1.883 94 HA LYS 12 HA LYS 12 -7.556 3.124 4.466 95 1HB LYS 12 1HB LYS 12 -8.108 0.864 4.169 96 2HB LYS 12 2HB LYS 12 -6.720 0.532 3.132 97 1HG LYS 12 1HG LYS 12 -5.158 0.593 4.878 98 2HG LYS 12 2HG LYS 12 -6.363 1.236 6.036 99 1HD LYS 12 1HD LYS 12 -7.668 -0.888 5.803 100 2HD LYS 12 2HD LYS 12 -6.480 -1.481 4.633 101 1HE LYS 12 1HE LYS 12 -6.041 -2.484 6.803 102 2HE LYS 12 2HE LYS 12 -4.709 -1.399 6.385 103 1HZ LYS 12 1HZ LYS 12 -6.940 -0.748 8.182 104 2HZ LYS 12 2HZ LYS 12 -5.411 -1.149 8.648 105 3HZ LYS 12 3HZ LYS 12 -5.676 0.246 7.815 106 H TYR 13 H TYR 13 -4.907 2.204 2.223 107 HA TYR 13 HA TYR 13 -2.896 3.089 4.176 108 1HB TYR 13 1HB TYR 13 -2.693 1.991 1.393 109 2HB TYR 13 2HB TYR 13 -1.304 2.512 2.348 110 HD1 TYR 13 HD1 TYR 13 -0.903 1.526 4.622 111 HD2 TYR 13 HD2 TYR 13 -3.938 -0.074 2.077 112 HE1 TYR 13 HE1 TYR 13 -0.923 -0.585 5.952 113 HE2 TYR 13 HE2 TYR 13 -4.103 -2.066 3.428 114 HH TYR 13 HH TYR 13 -1.657 -2.838 5.966 115 H ALA 14 H ALA 14 -4.053 4.332 1.046 116 HA ALA 14 HA ALA 14 -2.302 6.546 0.806 117 1HB ALA 14 1HB ALA 14 -5.155 6.205 -0.147 118 2HB ALA 14 2HB ALA 14 -4.017 7.430 -0.740 119 3HB ALA 14 3HB ALA 14 -3.695 5.713 -1.030 120 H ALA 15 H ALA 15 -5.272 6.217 2.674 121 HA ALA 15 HA ALA 15 -5.690 8.930 3.299 122 1HB ALA 15 3HB ALA 15 -7.309 7.172 3.838 123 2HB ALA 15 1HB ALA 15 -6.177 6.449 5.006 124 3HB ALA 15 2HB ALA 15 -6.864 8.059 5.309 125 H LYS 16 H LYS 16 -3.167 6.688 4.455 126 HA LYS 16 HA LYS 16 -2.690 8.124 6.946 127 1HB LYS 16 1HB LYS 16 -1.043 5.940 5.626 128 2HB LYS 16 2HB LYS 16 -0.972 6.471 7.312 129 1HG LYS 16 1HG LYS 16 -3.356 5.728 7.599 130 2HG LYS 16 2HG LYS 16 -3.313 5.079 5.947 131 1HD LYS 16 1HD LYS 16 -1.287 3.704 6.616 132 2HD LYS 16 2HD LYS 16 -1.569 4.204 8.290 133 1HE LYS 16 1HE LYS 16 -3.448 2.594 6.492 134 2HE LYS 16 2HE LYS 16 -2.557 1.999 7.899 135 1HZ LYS 16 3HZ LYS 16 -3.857 3.515 9.249 136 2HZ LYS 16 1HZ LYS 16 -4.702 4.004 7.918 137 3HZ LYS 16 2HZ LYS 16 -4.818 2.447 8.440 138 H GLU 17 H GLU 17 -2.485 9.959 4.958 139 HA GLU 17 HA GLU 17 0.027 11.150 5.379 140 1HB GLU 17 1HB GLU 17 0.818 9.465 3.700 141 2HB GLU 17 2HB GLU 17 -0.322 10.130 2.517 142 1HG GLU 17 1HG GLU 17 0.862 12.296 2.597 143 2HG GLU 17 2HG GLU 17 1.915 11.690 3.890 144 H GLY 18 H GLY 18 -2.582 10.827 2.977 145 1HA GLY 18 1HA GLY 18 -3.988 13.081 3.831 146 2HA GLY 18 2HA GLY 18 -2.921 13.675 2.547 147 H ASP 19 H ASP 19 -3.186 12.833 0.390 148 HA ASP 19 HA ASP 19 -5.913 12.798 -0.268 149 1HB ASP 19 1HB ASP 19 -4.347 13.790 -1.763 150 2HB ASP 19 2HB ASP 19 -3.452 12.273 -1.934 151 HA PRO 20 HA PRO 20 -6.401 8.308 0.406 152 1HB PRO 20 1HB PRO 20 -8.993 8.115 -0.606 153 2HB PRO 20 2HB PRO 20 -8.565 8.522 1.092 154 1HG PRO 20 1HG PRO 20 -9.288 10.335 -1.211 155 2HG PRO 20 2HG PRO 20 -9.808 10.467 0.494 156 1HD PRO 20 1HD PRO 20 -7.852 11.994 -0.516 157 2HD PRO 20 2HD PRO 20 -7.707 11.350 1.145 158 H ASN 21 H ASN 21 -6.725 10.061 -2.597 159 HA ASN 21 HA ASN 21 -6.936 7.696 -4.312 160 1HB ASN 21 1HB ASN 21 -6.591 10.625 -4.965 161 2HB ASN 21 2HB ASN 21 -7.087 9.349 -6.074 162 1HD2 ASN 21 1HD2 ASN 21 -9.842 11.144 -3.694 163 2HD2 ASN 21 2HD2 ASN 21 -8.135 11.573 -3.612 164 H GLN 22 H GLN 22 -4.298 9.062 -2.723 165 HA GLN 22 HA GLN 22 -2.415 8.224 -4.896 166 1HB GLN 22 1HB GLN 22 -2.800 10.649 -4.957 167 2HB GLN 22 2HB GLN 22 -2.307 10.759 -3.259 168 1HG GLN 22 1HG GLN 22 -0.057 9.946 -3.868 169 2HG GLN 22 2HG GLN 22 -0.570 9.746 -5.557 170 1HE2 GLN 22 1HE2 GLN 22 0.236 13.142 -6.257 171 2HE2 GLN 22 2HE2 GLN 22 0.049 11.528 -6.897 172 H LEU 23 H LEU 23 -0.919 6.713 -4.180 173 HA LEU 23 HA LEU 23 -0.418 6.469 -1.271 174 1HB LEU 23 1HB LEU 23 0.244 4.692 -3.630 175 2HB LEU 23 2HB LEU 23 0.732 4.427 -1.978 176 HG LEU 23 HG LEU 23 -2.201 4.634 -2.667 177 1HD1 LEU 23 3HD1 LEU 23 -1.129 2.860 -4.075 178 2HD1 LEU 23 1HD1 LEU 23 -0.440 2.153 -2.602 179 3HD1 LEU 23 2HD1 LEU 23 -2.200 2.169 -2.833 180 1HD2 LEU 23 1HD2 LEU 23 -1.486 4.740 -0.259 181 2HD2 LEU 23 2HD2 LEU 23 -2.466 3.311 -0.632 182 3HD2 LEU 23 3HD2 LEU 23 -0.708 3.157 -0.446 183 H SER 24 H SER 24 1.575 7.042 -0.458 184 HA SER 24 HA SER 24 3.809 7.771 -2.253 185 1HB SER 24 1HB SER 24 4.882 8.464 -0.162 186 2HB SER 24 2HB SER 24 3.245 9.126 -0.261 187 HG SER 24 HG SER 24 3.373 8.265 1.732 188 H LYS 25 H LYS 25 6.015 6.789 -1.396 189 HA LYS 25 HA LYS 25 6.019 4.046 -1.953 190 1HB LYS 25 1HB LYS 25 8.058 5.758 -0.435 191 2HB LYS 25 2HB LYS 25 8.352 4.088 -0.939 192 1HG LYS 25 1HG LYS 25 8.029 4.702 -3.296 193 2HG LYS 25 2HG LYS 25 7.751 6.394 -2.832 194 1HD LYS 25 1HD LYS 25 10.028 6.498 -1.853 195 2HD LYS 25 2HD LYS 25 10.308 4.805 -2.315 196 1HE LYS 25 1HE LYS 25 9.989 5.393 -4.704 197 2HE LYS 25 2HE LYS 25 9.673 7.078 -4.258 198 1HZ LYS 25 3HZ LYS 25 11.884 7.196 -3.371 199 2HZ LYS 25 1HZ LYS 25 12.190 5.631 -3.791 200 3HZ LYS 25 2HZ LYS 25 11.914 6.760 -4.959 201 H GLU 26 H GLU 26 6.068 5.688 1.240 202 HA GLU 26 HA GLU 26 6.396 3.259 2.715 203 1HB GLU 26 1HB GLU 26 6.912 5.529 3.609 204 2HB GLU 26 2HB GLU 26 5.180 5.908 3.612 205 1HG GLU 26 1HG GLU 26 5.954 5.250 5.817 206 2HG GLU 26 2HG GLU 26 4.760 4.091 5.240 207 H GLU 27 H GLU 27 3.525 5.123 1.814 208 HA GLU 27 HA GLU 27 1.625 3.432 3.100 209 1HB GLU 27 1HB GLU 27 1.351 5.111 0.586 210 2HB GLU 27 2HB GLU 27 0.008 4.376 1.486 211 1HG GLU 27 1HG GLU 27 0.530 5.619 3.496 212 2HG GLU 27 2HG GLU 27 1.975 6.328 2.771 213 H LEU 28 H LEU 28 2.982 3.258 -0.292 214 HA LEU 28 HA LEU 28 1.785 0.741 -0.900 215 1HB LEU 28 1HB LEU 28 4.398 2.026 -1.750 216 2HB LEU 28 2HB LEU 28 3.920 0.435 -2.349 217 HG LEU 28 HG LEU 28 2.006 2.730 -2.493 218 1HD1 LEU 28 1HD1 LEU 28 4.219 2.093 -4.468 219 2HD1 LEU 28 2HD1 LEU 28 2.880 3.238 -4.738 220 3HD1 LEU 28 3HD1 LEU 28 4.058 3.561 -3.458 221 1HD2 LEU 28 1HD2 LEU 28 1.185 0.410 -3.068 222 2HD2 LEU 28 2HD2 LEU 28 1.167 1.475 -4.485 223 3HD2 LEU 28 3HD2 LEU 28 2.464 0.284 -4.289 224 H LYS 29 H LYS 29 4.798 1.394 0.880 225 HA LYS 29 HA LYS 29 5.595 -1.339 0.902 226 1HB LYS 29 1HB LYS 29 6.964 0.701 1.611 227 2HB LYS 29 2HB LYS 29 5.997 0.822 3.057 228 1HG LYS 29 1HG LYS 29 6.747 -1.412 3.808 229 2HG LYS 29 2HG LYS 29 7.752 -1.554 2.349 230 1HD LYS 29 1HD LYS 29 9.117 0.361 3.080 231 2HD LYS 29 2HD LYS 29 8.001 0.697 4.408 232 1HE LYS 29 1HE LYS 29 10.057 -0.467 5.177 233 2HE LYS 29 2HE LYS 29 8.574 -1.360 5.547 234 1HZ LYS 29 1HZ LYS 29 10.327 -1.921 3.259 235 2HZ LYS 29 2HZ LYS 29 10.311 -2.759 4.681 236 3HZ LYS 29 3HZ LYS 29 8.983 -2.775 3.710 237 H LEU 30 H LEU 30 3.803 0.523 3.309 238 HA LEU 30 HA LEU 30 3.233 -1.701 5.004 239 1HB LEU 30 1HB LEU 30 1.607 0.837 4.534 240 2HB LEU 30 2HB LEU 30 1.363 -0.269 5.896 241 HG LEU 30 HG LEU 30 3.964 1.241 5.392 242 1HD1 LEU 30 3HD1 LEU 30 2.116 2.803 5.833 243 2HD1 LEU 30 1HD1 LEU 30 1.669 1.882 7.286 244 3HD1 LEU 30 2HD1 LEU 30 3.230 2.729 7.208 245 1HD2 LEU 30 3HD2 LEU 30 2.938 -0.325 7.800 246 2HD2 LEU 30 1HD2 LEU 30 4.305 -0.775 6.753 247 3HD2 LEU 30 2HD2 LEU 30 4.412 0.665 7.767 248 H LEU 31 H LEU 31 1.293 -0.345 2.369 249 HA LEU 31 HA LEU 31 -0.872 -2.127 2.424 250 1HB LEU 31 1HB LEU 31 -0.611 -0.086 1.061 251 2HB LEU 31 2HB LEU 31 0.515 -0.910 -0.004 252 HG LEU 31 HG LEU 31 -2.288 -1.987 0.403 253 1HD1 LEU 31 1HD1 LEU 31 -1.401 0.280 -1.428 254 2HD1 LEU 31 2HD1 LEU 31 -2.928 -0.597 -1.624 255 3HD1 LEU 31 3HD1 LEU 31 -2.641 0.350 -0.159 256 1HD2 LEU 31 3HD2 LEU 31 -0.345 -1.944 -1.986 257 2HD2 LEU 31 1HD2 LEU 31 -0.628 -3.344 -0.946 258 3HD2 LEU 31 2HD2 LEU 31 -1.932 -2.730 -1.972 259 H LEU 32 H LEU 32 2.182 -2.443 0.656 260 HA LEU 32 HA LEU 32 1.705 -4.995 -0.496 261 1HB LEU 32 1HB LEU 32 4.261 -3.536 0.260 262 2HB LEU 32 2HB LEU 32 4.286 -5.097 -0.556 263 HG LEU 32 HG LEU 32 2.743 -2.758 -1.738 264 1HD1 LEU 32 3HD1 LEU 32 5.102 -2.028 -1.380 265 2HD1 LEU 32 1HD1 LEU 32 5.667 -3.475 -2.237 266 3HD1 LEU 32 2HD1 LEU 32 4.717 -2.238 -3.091 267 1HD2 LEU 32 3HD2 LEU 32 4.030 -5.245 -2.935 268 2HD2 LEU 32 1HD2 LEU 32 2.288 -4.999 -2.674 269 3HD2 LEU 32 2HD2 LEU 32 3.160 -3.984 -3.834 270 H GLN 33 H GLN 33 3.554 -4.168 2.490 271 HA GLN 33 HA GLN 33 4.175 -6.865 3.140 272 1HB GLN 33 1HB GLN 33 4.171 -4.229 4.627 273 2HB GLN 33 2HB GLN 33 4.181 -5.716 5.568 274 1HG GLN 33 1HG GLN 33 6.408 -5.140 5.353 275 2HG GLN 33 2HG GLN 33 6.164 -6.536 4.306 276 1HE2 GLN 33 1HE2 GLN 33 6.602 -4.428 1.285 277 2HE2 GLN 33 2HE2 GLN 33 5.452 -5.619 1.869 278 H THR 34 H THR 34 1.517 -4.807 4.262 279 HA THR 34 HA THR 34 0.489 -6.780 6.054 280 HB THR 34 HB THR 34 -1.189 -4.652 4.706 281 HG1 THR 34 HG1 THR 34 0.642 -3.673 5.601 282 1HG2 THR 34 1HG2 THR 34 -1.311 -5.997 7.455 283 2HG2 THR 34 2HG2 THR 34 -2.420 -4.734 6.910 284 3HG2 THR 34 3HG2 THR 34 -2.428 -6.308 6.112 285 H GLU 35 H GLU 35 -0.587 -5.893 2.686 286 HA GLU 35 HA GLU 35 -2.582 -8.074 2.857 287 1HB GLU 35 1HB GLU 35 -2.290 -5.578 1.172 288 2HB GLU 35 2HB GLU 35 -3.589 -6.755 0.988 289 1HG GLU 35 1HG GLU 35 -2.972 -5.207 3.559 290 2HG GLU 35 2HG GLU 35 -4.160 -4.719 2.383 291 H PHE 36 H PHE 36 0.381 -7.371 1.075 292 HA PHE 36 HA PHE 36 -0.285 -9.646 -0.753 293 1HB PHE 36 1HB PHE 36 0.873 -7.047 -1.711 294 2HB PHE 36 2HB PHE 36 0.438 -8.466 -2.660 295 HD1 PHE 36 HD1 PHE 36 -1.959 -8.936 -3.228 296 HD2 PHE 36 HD2 PHE 36 -0.813 -5.554 -0.829 297 HE1 PHE 36 HE1 PHE 36 -4.265 -7.987 -3.449 298 HE2 PHE 36 HE2 PHE 36 -3.094 -4.629 -1.037 299 HZ PHE 36 HZ PHE 36 -4.865 -5.944 -2.172 300 HA PRO 37 HA PRO 37 4.051 -10.184 0.796 301 1HB PRO 37 1HB PRO 37 3.722 -12.742 1.699 302 2HB PRO 37 2HB PRO 37 3.418 -11.300 2.710 303 1HG PRO 37 1HG PRO 37 1.384 -12.939 1.184 304 2HG PRO 37 2HG PRO 37 1.300 -12.393 2.884 305 1HD PRO 37 1HD PRO 37 0.051 -11.071 0.871 306 2HD PRO 37 2HD PRO 37 0.777 -10.160 2.215 307 H SER 38 H SER 38 1.575 -11.612 -1.241 308 HA SER 38 HA SER 38 3.037 -13.447 -2.842 309 1HB SER 38 1HB SER 38 1.152 -12.642 -4.460 310 2HB SER 38 2HB SER 38 0.655 -13.409 -2.938 311 HG SER 38 HG SER 38 -0.483 -11.458 -3.237 312 H LEU 39 H LEU 39 1.971 -10.135 -3.548 313 HA LEU 39 HA LEU 39 3.683 -9.537 -5.686 314 1HB LEU 39 1HB LEU 39 2.613 -7.760 -3.468 315 2HB LEU 39 2HB LEU 39 3.503 -7.114 -4.849 316 HG LEU 39 HG LEU 39 0.877 -8.652 -5.061 317 1HD1 LEU 39 1HD1 LEU 39 1.559 -5.690 -5.295 318 2HD1 LEU 39 2HD1 LEU 39 -0.036 -6.386 -5.613 319 3HD1 LEU 39 3HD1 LEU 39 0.633 -6.420 -3.984 320 1HD2 LEU 39 3HD2 LEU 39 2.592 -7.199 -7.131 321 2HD2 LEU 39 1HD2 LEU 39 2.145 -8.922 -7.135 322 3HD2 LEU 39 2HD2 LEU 39 0.914 -7.693 -7.404 323 H LEU 40 H LEU 40 4.324 -9.111 -2.229 324 HA LEU 40 HA LEU 40 6.766 -7.840 -2.448 325 1HB LEU 40 1HB LEU 40 5.431 -8.223 -0.356 326 2HB LEU 40 2HB LEU 40 6.070 -9.874 -0.311 327 HG LEU 40 HG LEU 40 8.359 -9.024 -0.022 328 1HD1 LEU 40 1HD1 LEU 40 7.040 -6.281 -0.209 329 2HD1 LEU 40 2HD1 LEU 40 8.644 -6.550 0.506 330 3HD1 LEU 40 3HD1 LEU 40 8.374 -6.913 -1.200 331 1HD2 LEU 40 1HD2 LEU 40 6.949 -9.454 1.943 332 2HD2 LEU 40 2HD2 LEU 40 8.051 -8.098 2.244 333 3HD2 LEU 40 3HD2 LEU 40 6.337 -7.789 1.890 334 H LYS 41 H LYS 41 6.184 -11.246 -3.147 335 HA LYS 41 HA LYS 41 8.759 -12.351 -2.936 336 1HB LYS 41 1HB LYS 41 6.590 -12.699 -5.049 337 2HB LYS 41 2HB LYS 41 8.050 -13.655 -4.952 338 1HG LYS 41 1HG LYS 41 7.454 -14.533 -2.748 339 2HG LYS 41 2HG LYS 41 6.089 -13.421 -2.628 340 1HD LYS 41 1HD LYS 41 5.260 -15.619 -3.177 341 2HD LYS 41 2HD LYS 41 4.971 -14.516 -4.533 342 1HE LYS 41 1HE LYS 41 6.900 -15.463 -5.753 343 2HE LYS 41 2HE LYS 41 7.301 -16.491 -4.362 344 1HZ LYS 41 1HZ LYS 41 4.833 -16.620 -5.948 345 2HZ LYS 41 2HZ LYS 41 6.100 -17.669 -6.041 346 3HZ LYS 41 3HZ LYS 41 5.200 -17.585 -4.663 347 H GLY 42 H GLY 42 7.422 -10.160 -5.342 348 1HA GLY 42 1HA GLY 42 9.333 -10.164 -7.383 349 2HA GLY 42 2HA GLY 42 8.439 -8.736 -6.834 350 H GLY 43 H GLY 43 9.620 -8.823 -4.098 351 1HA GLY 43 1HA GLY 43 11.359 -8.009 -2.923 352 2HA GLY 43 2HA GLY 43 12.381 -8.954 -4.014 353 H SER 44 H SER 44 13.178 -7.903 -5.945 354 HA SER 44 HA SER 44 14.720 -6.282 -6.553 355 1HB SER 44 1HB SER 44 11.924 -5.246 -7.169 356 2HB SER 44 2HB SER 44 13.428 -4.876 -8.068 357 HG SER 44 HG SER 44 12.209 -7.433 -7.720 358 H THR 45 H THR 45 12.638 -3.531 -6.209 359 HA THR 45 HA THR 45 13.357 -2.964 -3.483 360 HB THR 45 HB THR 45 14.182 -0.676 -3.962 361 HG1 THR 45 HG1 THR 45 14.522 -1.606 -6.603 362 1HG2 THR 45 3HG2 THR 45 15.854 -2.465 -3.505 363 2HG2 THR 45 1HG2 THR 45 16.024 -2.731 -5.253 364 3HG2 THR 45 2HG2 THR 45 16.472 -1.170 -4.549 365 H LEU 46 H LEU 46 11.914 -1.389 -2.661 366 HA LEU 46 HA LEU 46 9.308 -1.211 -3.773 367 1HB LEU 46 1HB LEU 46 10.691 0.816 -1.972 368 2HB LEU 46 2HB LEU 46 8.951 0.450 -2.026 369 HG LEU 46 HG LEU 46 11.262 -1.191 -0.947 370 1HD1 LEU 46 3HD1 LEU 46 10.533 0.657 0.481 371 2HD1 LEU 46 1HD1 LEU 46 8.863 0.055 0.434 372 3HD1 LEU 46 2HD1 LEU 46 10.136 -0.906 1.221 373 1HD2 LEU 46 3HD2 LEU 46 8.286 -1.943 -1.073 374 2HD2 LEU 46 1HD2 LEU 46 9.599 -2.780 -1.929 375 3HD2 LEU 46 2HD2 LEU 46 9.517 -2.845 -0.164 376 H ASP 47 H ASP 47 12.160 0.841 -3.822 377 HA ASP 47 HA ASP 47 11.217 3.034 -5.263 378 1HB ASP 47 1HB ASP 47 13.970 1.722 -5.343 379 2HB ASP 47 2HB ASP 47 13.604 3.376 -5.851 380 H GLU 48 H GLU 48 12.849 0.169 -6.651 381 HA GLU 48 HA GLU 48 12.401 0.857 -9.373 382 1HB GLU 48 1HB GLU 48 12.697 -1.826 -7.993 383 2HB GLU 48 2HB GLU 48 12.480 -1.690 -9.740 384 1HG GLU 48 1HG GLU 48 14.482 -0.454 -10.064 385 2HG GLU 48 2HG GLU 48 14.712 -0.172 -8.340 386 H LEU 49 H LEU 49 10.358 -1.043 -7.147 387 HA LEU 49 HA LEU 49 8.344 -1.609 -9.062 388 1HB LEU 49 1HB LEU 49 8.490 -2.759 -6.915 389 2HB LEU 49 2HB LEU 49 8.124 -1.263 -6.051 390 HG LEU 49 HG LEU 49 5.863 -1.206 -7.014 391 1HD1 LEU 49 1HD1 LEU 49 6.666 -3.817 -8.385 392 2HD1 LEU 49 2HD1 LEU 49 5.002 -3.214 -8.247 393 3HD1 LEU 49 3HD1 LEU 49 6.185 -2.305 -9.188 394 1HD2 LEU 49 1HD2 LEU 49 6.320 -2.407 -4.897 395 2HD2 LEU 49 2HD2 LEU 49 4.965 -3.124 -5.789 396 3HD2 LEU 49 3HD2 LEU 49 6.555 -3.915 -5.805 397 H PHE 50 H PHE 50 8.691 1.132 -6.844 398 HA PHE 50 HA PHE 50 6.269 2.485 -7.404 399 1HB PHE 50 1HB PHE 50 7.883 2.880 -5.522 400 2HB PHE 50 2HB PHE 50 8.995 3.625 -6.652 401 HD1 PHE 50 HD1 PHE 50 5.768 3.910 -4.915 402 HD2 PHE 50 HD2 PHE 50 8.586 5.946 -7.450 403 HE1 PHE 50 HE1 PHE 50 5.024 6.065 -3.979 404 HE2 PHE 50 HE2 PHE 50 7.854 8.124 -6.494 405 HZ PHE 50 HZ PHE 50 6.197 8.169 -4.648 406 H GLU 51 H GLU 51 9.538 2.807 -8.842 407 HA GLU 51 HA GLU 51 8.823 4.782 -10.758 408 1HB GLU 51 1HB GLU 51 11.163 4.094 -10.006 409 2HB GLU 51 2HB GLU 51 10.967 2.615 -10.969 410 1HG GLU 51 1HG GLU 51 10.718 4.014 -13.024 411 2HG GLU 51 2HG GLU 51 10.881 5.478 -12.043 412 H GLU 52 H GLU 52 8.812 1.248 -10.898 413 HA GLU 52 HA GLU 52 8.075 0.957 -13.618 414 1HB GLU 52 1HB GLU 52 8.847 -0.884 -12.096 415 2HB GLU 52 2HB GLU 52 7.251 -0.860 -11.328 416 1HG GLU 52 1HG GLU 52 6.195 -1.412 -13.512 417 2HG GLU 52 2HG GLU 52 7.795 -1.423 -14.272 418 H LEU 53 H LEU 53 6.050 1.317 -10.712 419 HA LEU 53 HA LEU 53 3.536 1.171 -12.076 420 1HB LEU 53 1HB LEU 53 4.344 2.396 -9.423 421 2HB LEU 53 2HB LEU 53 2.681 2.198 -9.963 422 HG LEU 53 HG LEU 53 4.601 -0.149 -9.646 423 1HD1 LEU 53 3HD1 LEU 53 4.236 1.075 -7.504 424 2HD1 LEU 53 1HD1 LEU 53 2.483 0.864 -7.719 425 3HD1 LEU 53 2HD1 LEU 53 3.539 -0.545 -7.498 426 1HD2 LEU 53 3HD2 LEU 53 1.583 -0.027 -9.959 427 2HD2 LEU 53 1HD2 LEU 53 2.760 -0.676 -11.125 428 3HD2 LEU 53 2HD2 LEU 53 2.538 -1.482 -9.580 429 H ASP 54 H ASP 54 5.374 3.966 -10.857 430 HA ASP 54 HA ASP 54 3.621 5.811 -12.432 431 1HB ASP 54 1HB ASP 54 3.595 6.291 -10.096 432 2HB ASP 54 2HB ASP 54 5.352 6.200 -9.968 433 H LYS 55 H LYS 55 4.553 5.865 -14.440 434 HA LYS 55 HA LYS 55 7.407 5.902 -14.790 435 1HB LYS 55 1HB LYS 55 5.357 6.658 -16.812 436 2HB LYS 55 2HB LYS 55 7.079 6.285 -17.022 437 1HG LYS 55 1HG LYS 55 4.829 4.426 -16.164 438 2HG LYS 55 2HG LYS 55 5.764 4.325 -17.664 439 1HD LYS 55 1HD LYS 55 6.676 3.717 -14.833 440 2HD LYS 55 2HD LYS 55 6.378 2.550 -16.103 441 1HE LYS 55 1HE LYS 55 8.297 3.318 -17.395 442 2HE LYS 55 2HE LYS 55 8.577 4.669 -16.285 443 1HZ LYS 55 3HZ LYS 55 8.931 3.087 -14.535 444 2HZ LYS 55 1HZ LYS 55 8.792 1.837 -15.602 445 3HZ LYS 55 2HZ LYS 55 10.030 2.916 -15.760 446 H ASN 56 H ASN 56 7.674 7.538 -13.320 447 HA ASN 56 HA ASN 56 7.995 9.592 -12.411 448 1HB ASN 56 1HB ASN 56 9.749 10.713 -13.274 449 2HB ASN 56 2HB ASN 56 9.936 9.127 -14.018 450 1HD2 ASN 56 1HD2 ASN 56 8.713 10.853 -17.223 451 2HD2 ASN 56 2HD2 ASN 56 7.887 9.735 -16.149 452 H GLY 57 H GLY 57 5.370 9.499 -13.091 453 1HA GLY 57 1HA GLY 57 4.596 11.835 -14.657 454 2HA GLY 57 2HA GLY 57 3.542 10.746 -13.748 455 H ASP 58 H ASP 58 3.407 11.014 -11.374 456 HA ASP 58 HA ASP 58 3.593 13.848 -10.583 457 1HB ASP 58 1HB ASP 58 2.009 13.218 -8.896 458 2HB ASP 58 2HB ASP 58 1.403 12.797 -10.498 459 H GLY 59 H GLY 59 4.866 10.630 -9.775 460 1HA GLY 59 1HA GLY 59 6.853 10.254 -8.569 461 2HA GLY 59 2HA GLY 59 6.717 11.824 -7.769 462 H GLU 60 H GLU 60 3.946 9.643 -8.157 463 HA GLU 60 HA GLU 60 4.082 8.363 -5.551 464 1HB GLU 60 1HB GLU 60 1.773 10.229 -6.193 465 2HB GLU 60 2HB GLU 60 1.938 9.158 -4.810 466 1HG GLU 60 1HG GLU 60 2.389 11.218 -3.876 467 2HG GLU 60 2HG GLU 60 3.989 10.519 -4.112 468 H VAL 61 H VAL 61 1.896 7.041 -5.460 469 HA VAL 61 HA VAL 61 1.273 6.145 -8.279 470 HB VAL 61 HB VAL 61 1.314 4.479 -5.772 471 1HG1 VAL 61 3HG1 VAL 61 -0.275 3.793 -7.644 472 2HG1 VAL 61 1HG1 VAL 61 1.141 3.640 -8.701 473 3HG1 VAL 61 2HG1 VAL 61 0.979 2.602 -7.270 474 1HG2 VAL 61 3HG2 VAL 61 3.291 4.749 -8.107 475 2HG2 VAL 61 1HG2 VAL 61 3.628 5.051 -6.393 476 3HG2 VAL 61 2HG2 VAL 61 3.324 3.402 -6.965 477 H SER 62 H SER 62 -0.576 7.240 -8.721 478 HA SER 62 HA SER 62 -2.763 7.331 -6.798 479 1HB SER 62 1HB SER 62 -2.355 9.180 -8.404 480 2HB SER 62 2HB SER 62 -2.792 8.089 -9.734 481 HG SER 62 HG SER 62 -4.441 8.752 -7.495 482 H PHE 63 H PHE 63 -4.967 6.595 -7.536 483 HA PHE 63 HA PHE 63 -4.888 3.788 -7.484 484 1HB PHE 63 1HB PHE 63 -6.711 5.110 -6.538 485 2HB PHE 63 2HB PHE 63 -7.266 5.540 -8.160 486 HD1 PHE 63 HD1 PHE 63 -6.471 2.541 -6.023 487 HD2 PHE 63 HD2 PHE 63 -8.897 4.114 -9.220 488 HE1 PHE 63 HE1 PHE 63 -7.725 0.420 -6.109 489 HE2 PHE 63 HE2 PHE 63 -10.198 2.005 -9.252 490 HZ PHE 63 HZ PHE 63 -9.650 0.173 -7.640 491 H GLU 64 H GLU 64 -5.301 5.933 -10.276 492 HA GLU 64 HA GLU 64 -6.120 3.867 -12.086 493 1HB GLU 64 1HB GLU 64 -6.443 6.266 -12.513 494 2HB GLU 64 2HB GLU 64 -4.704 6.536 -12.632 495 1HG GLU 64 1HG GLU 64 -6.283 4.666 -14.466 496 2HG GLU 64 2HG GLU 64 -5.985 6.371 -14.820 497 H GLU 65 H GLU 65 -2.878 5.438 -11.754 498 HA GLU 65 HA GLU 65 -1.552 3.498 -13.320 499 1HB GLU 65 1HB GLU 65 0.541 4.411 -12.362 500 2HB GLU 65 2HB GLU 65 -0.572 5.607 -13.035 501 1HG GLU 65 1HG GLU 65 -1.385 6.067 -10.659 502 2HG GLU 65 2HG GLU 65 -0.063 5.044 -10.092 503 H PHE 66 H PHE 66 -2.279 3.465 -9.843 504 HA PHE 66 HA PHE 66 -0.886 1.142 -9.041 505 1HB PHE 66 1HB PHE 66 -2.001 2.424 -7.421 506 2HB PHE 66 2HB PHE 66 -3.486 2.402 -8.359 507 HD1 PHE 66 HD1 PHE 66 -1.359 0.263 -6.149 508 HD2 PHE 66 HD2 PHE 66 -5.155 0.843 -8.071 509 HE1 PHE 66 HE1 PHE 66 -2.376 -1.484 -4.697 510 HE2 PHE 66 HE2 PHE 66 -6.092 -1.102 -6.887 511 HZ PHE 66 HZ PHE 66 -4.734 -2.170 -5.038 512 H GLN 67 H GLN 67 -3.708 1.357 -11.246 513 HA GLN 67 HA GLN 67 -4.405 -1.397 -11.073 514 1HB GLN 67 1HB GLN 67 -4.524 0.318 -13.576 515 2HB GLN 67 2HB GLN 67 -5.312 -1.237 -13.311 516 1HG GLN 67 1HG GLN 67 -5.995 1.405 -12.001 517 2HG GLN 67 2HG GLN 67 -7.000 0.381 -13.013 518 1HE2 GLN 67 1HE2 GLN 67 -7.076 -0.031 -9.008 519 2HE2 GLN 67 2HE2 GLN 67 -6.371 1.322 -9.868 520 H VAL 68 H VAL 68 -1.495 0.040 -12.434 521 HA VAL 68 HA VAL 68 -0.683 -2.260 -13.960 522 HB VAL 68 HB VAL 68 0.972 -0.141 -12.545 523 1HG1 VAL 68 1HG1 VAL 68 1.764 -2.178 -14.676 524 2HG1 VAL 68 2HG1 VAL 68 2.772 -0.825 -14.117 525 3HG1 VAL 68 3HG1 VAL 68 2.357 -2.131 -13.003 526 1HG2 VAL 68 1HG2 VAL 68 -0.539 0.772 -14.320 527 2HG2 VAL 68 2HG2 VAL 68 1.160 0.853 -14.793 528 3HG2 VAL 68 3HG2 VAL 68 0.113 -0.416 -15.464 529 H LEU 69 H LEU 69 -0.695 -1.510 -10.471 530 HA LEU 69 HA LEU 69 0.971 -3.787 -9.769 531 1HB LEU 69 1HB LEU 69 0.566 -1.651 -8.328 532 2HB LEU 69 2HB LEU 69 -1.014 -2.346 -7.974 533 HG LEU 69 HG LEU 69 0.229 -4.453 -7.169 534 1HD1 LEU 69 1HD1 LEU 69 2.557 -2.491 -7.227 535 2HD1 LEU 69 2HD1 LEU 69 2.578 -4.046 -6.401 536 3HD1 LEU 69 3HD1 LEU 69 2.460 -3.998 -8.160 537 1HD2 LEU 69 3HD2 LEU 69 0.557 -1.797 -5.717 538 2HD2 LEU 69 1HD2 LEU 69 -0.825 -2.917 -5.633 539 3HD2 LEU 69 2HD2 LEU 69 0.738 -3.395 -4.962 540 H VAL 70 H VAL 70 -2.530 -3.009 -9.996 541 HA VAL 70 HA VAL 70 -3.460 -5.566 -9.135 542 HB VAL 70 HB VAL 70 -4.796 -3.699 -11.130 543 1HG1 VAL 70 1HG1 VAL 70 -5.891 -5.946 -9.391 544 2HG1 VAL 70 2HG1 VAL 70 -6.873 -4.792 -10.320 545 3HG1 VAL 70 3HG1 VAL 70 -5.811 -5.924 -11.165 546 1HG2 VAL 70 3HG2 VAL 70 -4.915 -3.872 -8.082 547 2HG2 VAL 70 1HG2 VAL 70 -4.331 -2.499 -9.025 548 3HG2 VAL 70 2HG2 VAL 70 -6.042 -2.926 -9.075 549 H LYS 71 H LYS 71 -2.392 -4.439 -12.365 550 HA LYS 71 HA LYS 71 -2.782 -6.890 -13.721 551 1HB LYS 71 1HB LYS 71 -2.288 -5.073 -15.073 552 2HB LYS 71 2HB LYS 71 -0.866 -4.604 -14.151 553 1HG LYS 71 1HG LYS 71 0.387 -6.527 -14.902 554 2HG LYS 71 2HG LYS 71 -1.037 -7.176 -15.754 555 1HD LYS 71 1HD LYS 71 -1.054 -5.164 -17.222 556 2HD LYS 71 2HD LYS 71 0.355 -4.519 -16.354 557 1HE LYS 71 1HE LYS 71 1.689 -6.509 -17.043 558 2HE LYS 71 2HE LYS 71 0.283 -7.150 -17.913 559 1HZ LYS 71 3HZ LYS 71 0.342 -5.210 -19.306 560 2HZ LYS 71 1HZ LYS 71 1.651 -4.618 -18.497 561 3HZ LYS 71 2HZ LYS 71 1.780 -6.013 -19.364 562 H LYS 72 H LYS 72 0.110 -5.803 -11.925 563 HA LYS 72 HA LYS 72 1.499 -8.271 -12.060 564 1HB LYS 72 1HB LYS 72 1.568 -6.097 -9.949 565 2HB LYS 72 2HB LYS 72 2.361 -7.642 -9.691 566 1HG LYS 72 1HG LYS 72 4.031 -6.262 -10.486 567 2HG LYS 72 2HG LYS 72 3.641 -7.361 -11.813 568 1HD LYS 72 1HD LYS 72 2.356 -5.547 -12.931 569 2HD LYS 72 2HD LYS 72 2.593 -4.511 -11.510 570 1HE LYS 72 1HE LYS 72 4.142 -3.859 -13.278 571 2HE LYS 72 2HE LYS 72 5.008 -4.458 -11.856 572 1HZ LYS 72 1HZ LYS 72 4.469 -5.988 -14.307 573 2HZ LYS 72 2HZ LYS 72 5.909 -5.302 -13.878 574 3HZ LYS 72 3HZ LYS 72 5.290 -6.544 -12.989 575 H ILE 73 H ILE 73 -0.945 -7.353 -9.633 576 HA ILE 73 HA ILE 73 -0.919 -9.796 -8.163 577 HB ILE 73 HB ILE 73 -3.276 -7.947 -8.727 578 1HG1 ILE 73 1HG1 ILE 73 -1.501 -8.222 -6.264 579 2HG1 ILE 73 2HG1 ILE 73 -1.338 -6.955 -7.485 580 1HG2 ILE 73 1HG2 ILE 73 -3.037 -10.188 -6.679 581 2HG2 ILE 73 2HG2 ILE 73 -4.387 -9.041 -6.804 582 3HG2 ILE 73 3HG2 ILE 73 -4.111 -10.184 -8.093 583 1HD1 ILE 73 3HD1 ILE 73 -3.657 -6.173 -6.977 584 2HD1 ILE 73 1HD1 ILE 73 -3.712 -7.333 -5.640 585 3HD1 ILE 73 2HD1 ILE 73 -2.522 -6.030 -5.624 586 H SER 74 H SER 74 -2.545 -8.892 -11.152 587 HA SER 74 HA SER 74 -3.712 -11.563 -11.558 588 1HB SER 74 1HB SER 74 -3.648 -9.215 -13.479 589 2HB SER 74 2HB SER 74 -4.783 -10.571 -13.442 590 HG SER 74 HG SER 74 -4.504 -8.476 -11.526 591 H GLN 75 H GLN 75 -0.610 -11.044 -11.575 592 HA GLN 75 HA GLN 75 1.223 -11.346 -12.845 593 1HB GLN 75 1HB GLN 75 -0.592 -13.690 -13.343 594 2HB GLN 75 2HB GLN 75 1.005 -13.633 -14.112 595 1HG GLN 75 1HG GLN 75 1.094 -14.933 -12.033 596 2HG GLN 75 2HG GLN 75 2.115 -13.494 -11.946 597 1HE2 GLN 75 1HE2 GLN 75 -1.434 -13.161 -9.868 598 2HE2 GLN 75 2HE2 GLN 75 -1.431 -14.056 -11.381 No H/Q in entry = 598 Start of MODEL 13 Raw file had 599 H/Q atoms Start of MODEL 13 1 1H LYS 1 1H LYS 1 -7.483 -11.096 -5.772 2 2H LYS 1 2H LYS 1 -6.200 -10.013 -5.676 3 3H LYS 1 3H LYS 1 -6.533 -11.039 -4.385 4 HA LYS 1 HA LYS 1 -8.621 -9.971 -4.004 5 1HB LYS 1 1HB LYS 1 -6.326 -7.993 -4.228 6 2HB LYS 1 2HB LYS 1 -7.746 -7.838 -3.187 7 1HG LYS 1 1HG LYS 1 -5.565 -9.966 -2.979 8 2HG LYS 1 2HG LYS 1 -5.768 -8.559 -1.926 9 1HD LYS 1 1HD LYS 1 -8.012 -9.469 -1.225 10 2HD LYS 1 2HD LYS 1 -7.650 -10.939 -2.160 11 1HE LYS 1 1HE LYS 1 -5.603 -11.300 -0.799 12 2HE LYS 1 2HE LYS 1 -5.963 -9.839 0.140 13 1HZ LYS 1 1HZ LYS 1 -7.659 -12.229 -0.016 14 2HZ LYS 1 2HZ LYS 1 -6.693 -11.803 1.248 15 3HZ LYS 1 3HZ LYS 1 -7.992 -10.869 0.853 16 H SER 2 H SER 2 -10.283 -8.604 -4.720 17 HA SER 2 HA SER 2 -10.393 -8.296 -7.563 18 1HB SER 2 1HB SER 2 -12.604 -7.274 -7.077 19 2HB SER 2 2HB SER 2 -12.366 -8.791 -6.203 20 HG SER 2 HG SER 2 -13.154 -7.239 -4.773 21 HA PRO 3 HA PRO 3 -8.835 -4.076 -8.103 22 1HB PRO 3 1HB PRO 3 -11.513 -3.668 -9.469 23 2HB PRO 3 2HB PRO 3 -9.904 -3.071 -9.975 24 1HG PRO 3 1HG PRO 3 -10.936 -5.288 -11.144 25 2HG PRO 3 2HG PRO 3 -9.226 -5.288 -10.621 26 1HD PRO 3 1HD PRO 3 -11.604 -6.517 -9.220 27 2HD PRO 3 2HD PRO 3 -9.954 -7.168 -9.457 28 H GLU 4 H GLU 4 -12.289 -4.525 -7.211 29 HA GLU 4 HA GLU 4 -12.720 -2.119 -5.831 30 1HB GLU 4 1HB GLU 4 -13.970 -4.820 -5.310 31 2HB GLU 4 2HB GLU 4 -14.541 -3.240 -4.755 32 1HG GLU 4 1HG GLU 4 -15.702 -3.138 -6.652 33 2HG GLU 4 2HG GLU 4 -14.212 -2.724 -7.460 34 H GLU 5 H GLU 5 -11.534 -5.258 -4.584 35 HA GLU 5 HA GLU 5 -11.383 -4.422 -1.838 36 1HB GLU 5 1HB GLU 5 -11.376 -6.804 -2.532 37 2HB GLU 5 2HB GLU 5 -9.819 -6.588 -3.341 38 1HG GLU 5 1HG GLU 5 -9.546 -7.651 -1.154 39 2HG GLU 5 2HG GLU 5 -8.746 -6.078 -1.171 40 H LEU 6 H LEU 6 -9.118 -4.507 -4.541 41 HA LEU 6 HA LEU 6 -6.865 -3.439 -3.213 42 1HB LEU 6 1HB LEU 6 -7.727 -3.571 -6.120 43 2HB LEU 6 2HB LEU 6 -6.239 -2.811 -5.648 44 HG LEU 6 HG LEU 6 -6.984 -5.582 -4.583 45 1HD1 LEU 6 3HD1 LEU 6 -7.097 -5.776 -7.050 46 2HD1 LEU 6 1HD1 LEU 6 -5.403 -5.221 -7.132 47 3HD1 LEU 6 2HD1 LEU 6 -5.798 -6.728 -6.300 48 1HD2 LEU 6 3HD2 LEU 6 -4.320 -4.178 -5.160 49 2HD2 LEU 6 1HD2 LEU 6 -4.986 -4.489 -3.545 50 3HD2 LEU 6 2HD2 LEU 6 -4.472 -5.835 -4.579 51 H LYS 7 H LYS 7 -9.557 -1.750 -4.865 52 HA LYS 7 HA LYS 7 -8.514 0.861 -4.470 53 1HB LYS 7 1HB LYS 7 -10.575 -0.081 -5.844 54 2HB LYS 7 2HB LYS 7 -11.451 0.142 -4.347 55 1HG LYS 7 1HG LYS 7 -10.129 2.157 -6.193 56 2HG LYS 7 2HG LYS 7 -11.832 2.046 -5.758 57 1HD LYS 7 1HD LYS 7 -11.227 2.797 -3.439 58 2HD LYS 7 2HD LYS 7 -9.539 2.982 -3.976 59 1HE LYS 7 1HE LYS 7 -11.907 4.492 -5.150 60 2HE LYS 7 2HE LYS 7 -10.724 5.141 -4.006 61 1HZ LYS 7 3HZ LYS 7 -9.009 4.731 -5.614 62 2HZ LYS 7 1HZ LYS 7 -10.112 4.184 -6.705 63 3HZ LYS 7 2HZ LYS 7 -10.161 5.752 -6.202 64 H GLY 8 H GLY 8 -10.548 -1.211 -2.411 65 1HA GLY 8 1HA GLY 8 -11.012 0.611 -0.277 66 2HA GLY 8 2HA GLY 8 -10.945 -1.157 -0.127 67 H ILE 9 H ILE 9 -8.507 -1.890 -0.621 68 HA ILE 9 HA ILE 9 -6.777 -1.272 1.547 69 HB ILE 9 HB ILE 9 -6.306 -2.413 -1.231 70 1HG1 ILE 9 1HG1 ILE 9 -6.558 -3.694 1.535 71 2HG1 ILE 9 2HG1 ILE 9 -7.822 -3.680 0.301 72 1HG2 ILE 9 3HG2 ILE 9 -4.201 -1.467 -0.370 73 2HG2 ILE 9 1HG2 ILE 9 -4.397 -2.412 1.120 74 3HG2 ILE 9 2HG2 ILE 9 -4.136 -3.213 -0.445 75 1HD1 ILE 9 3HD1 ILE 9 -6.303 -4.945 -1.233 76 2HD1 ILE 9 1HD1 ILE 9 -5.130 -5.074 0.099 77 3HD1 ILE 9 2HD1 ILE 9 -6.722 -5.820 0.258 78 H PHE 10 H PHE 10 -6.666 -0.034 -1.845 79 HA PHE 10 HA PHE 10 -4.394 1.541 -1.553 80 1HB PHE 10 1HB PHE 10 -5.568 0.968 -3.684 81 2HB PHE 10 2HB PHE 10 -6.854 2.069 -3.268 82 HD1 PHE 10 HD1 PHE 10 -6.328 4.553 -2.945 83 HD2 PHE 10 HD2 PHE 10 -3.587 1.744 -4.765 84 HE1 PHE 10 HE1 PHE 10 -4.973 6.382 -3.781 85 HE2 PHE 10 HE2 PHE 10 -2.399 3.638 -5.851 86 HZ PHE 10 HZ PHE 10 -3.127 5.956 -5.425 87 H GLU 11 H GLU 11 -7.822 2.404 -0.943 88 HA GLU 11 HA GLU 11 -7.288 5.140 -0.174 89 1HB GLU 11 1HB GLU 11 -9.611 3.258 0.421 90 2HB GLU 11 2HB GLU 11 -9.557 4.952 0.940 91 1HG GLU 11 1HG GLU 11 -9.328 5.714 -1.382 92 2HG GLU 11 2HG GLU 11 -9.319 4.043 -1.952 93 H LYS 12 H LYS 12 -7.867 2.160 1.729 94 HA LYS 12 HA LYS 12 -7.601 3.090 4.323 95 1HB LYS 12 1HB LYS 12 -8.211 0.842 3.969 96 2HB LYS 12 2HB LYS 12 -6.787 0.491 2.991 97 1HG LYS 12 1HG LYS 12 -5.308 0.515 4.840 98 2HG LYS 12 2HG LYS 12 -6.587 1.135 5.931 99 1HD LYS 12 1HD LYS 12 -7.870 -0.984 5.566 100 2HD LYS 12 2HD LYS 12 -6.615 -1.545 4.451 101 1HE LYS 12 1HE LYS 12 -6.292 -2.608 6.611 102 2HE LYS 12 2HE LYS 12 -4.946 -1.504 6.304 103 1HZ LYS 12 1HZ LYS 12 -7.284 -0.927 7.987 104 2HZ LYS 12 2HZ LYS 12 -5.780 -1.322 8.528 105 3HZ LYS 12 3HZ LYS 12 -6.018 0.095 7.723 106 H TYR 13 H TYR 13 -4.912 2.020 2.183 107 HA TYR 13 HA TYR 13 -2.949 2.739 4.213 108 1HB TYR 13 1HB TYR 13 -2.794 1.668 1.406 109 2HB TYR 13 2HB TYR 13 -1.354 2.196 2.282 110 HD1 TYR 13 HD1 TYR 13 -0.848 1.288 4.533 111 HD2 TYR 13 HD2 TYR 13 -4.009 -0.405 2.185 112 HE1 TYR 13 HE1 TYR 13 -0.879 -0.732 5.999 113 HE2 TYR 13 HE2 TYR 13 -4.034 -2.387 3.540 114 HH TYR 13 HH TYR 13 -1.762 -2.909 6.254 115 H ALA 14 H ALA 14 -4.044 4.239 1.180 116 HA ALA 14 HA ALA 14 -2.087 6.303 1.135 117 1HB ALA 14 1HB ALA 14 -4.951 6.340 0.093 118 2HB ALA 14 2HB ALA 14 -3.669 7.499 -0.326 119 3HB ALA 14 3HB ALA 14 -3.524 5.807 -0.810 120 H ALA 15 H ALA 15 -5.399 6.381 2.374 121 HA ALA 15 HA ALA 15 -5.568 9.026 3.069 122 1HB ALA 15 3HB ALA 15 -7.468 7.461 3.058 123 2HB ALA 15 1HB ALA 15 -6.833 6.665 4.520 124 3HB ALA 15 2HB ALA 15 -7.393 8.349 4.596 125 H LYS 16 H LYS 16 -3.984 6.475 4.948 126 HA LYS 16 HA LYS 16 -3.924 7.684 7.497 127 1HB LYS 16 1HB LYS 16 -1.945 5.857 6.081 128 2HB LYS 16 2HB LYS 16 -1.822 6.280 7.793 129 1HG LYS 16 1HG LYS 16 -3.910 5.218 8.329 130 2HG LYS 16 2HG LYS 16 -4.301 4.977 6.622 131 1HD LYS 16 1HD LYS 16 -2.290 3.521 6.371 132 2HD LYS 16 2HD LYS 16 -1.947 3.708 8.101 133 1HE LYS 16 1HE LYS 16 -4.110 2.639 8.658 134 2HE LYS 16 2HE LYS 16 -4.511 2.518 6.934 135 1HZ LYS 16 1HZ LYS 16 -2.243 1.197 8.242 136 2HZ LYS 16 2HZ LYS 16 -3.650 0.472 7.783 137 3HZ LYS 16 3HZ LYS 16 -2.633 1.091 6.644 138 H GLU 17 H GLU 17 -2.012 8.405 4.605 139 HA GLU 17 HA GLU 17 -0.390 10.391 6.149 140 1HB GLU 17 1HB GLU 17 0.848 8.315 6.212 141 2HB GLU 17 2HB GLU 17 0.637 8.082 4.483 142 1HG GLU 17 1HG GLU 17 2.032 10.179 4.102 143 2HG GLU 17 2HG GLU 17 2.310 10.230 5.848 144 H GLY 18 H GLY 18 -1.423 9.202 2.970 145 1HA GLY 18 1HA GLY 18 -0.499 11.756 1.697 146 2HA GLY 18 2HA GLY 18 -0.621 10.179 0.908 147 H ASP 19 H ASP 19 -1.827 11.995 -0.472 148 HA ASP 19 HA ASP 19 -4.534 12.594 0.216 149 1HB ASP 19 1HB ASP 19 -3.301 13.758 -1.591 150 2HB ASP 19 2HB ASP 19 -3.234 12.255 -2.527 151 HA PRO 20 HA PRO 20 -6.073 8.444 0.133 152 1HB PRO 20 1HB PRO 20 -8.678 8.849 -0.863 153 2HB PRO 20 2HB PRO 20 -8.143 8.961 0.841 154 1HG PRO 20 1HG PRO 20 -8.465 11.172 -1.191 155 2HG PRO 20 2HG PRO 20 -8.947 11.182 0.531 156 1HD PRO 20 1HD PRO 20 -6.703 12.398 -0.252 157 2HD PRO 20 2HD PRO 20 -6.660 11.406 1.234 158 H ASN 21 H ASN 21 -6.174 10.366 -2.843 159 HA ASN 21 HA ASN 21 -6.837 8.113 -4.585 160 1HB ASN 21 1HB ASN 21 -6.033 10.986 -5.188 161 2HB ASN 21 2HB ASN 21 -6.673 9.810 -6.328 162 1HD2 ASN 21 1HD2 ASN 21 -9.196 11.881 -3.899 163 2HD2 ASN 21 2HD2 ASN 21 -7.449 12.021 -3.724 164 H GLN 22 H GLN 22 -3.916 9.120 -3.090 165 HA GLN 22 HA GLN 22 -2.274 7.965 -5.257 166 1HB GLN 22 1HB GLN 22 -2.686 10.388 -5.706 167 2HB GLN 22 2HB GLN 22 -1.875 10.767 -4.177 168 1HG GLN 22 1HG GLN 22 0.170 9.705 -5.023 169 2HG GLN 22 2HG GLN 22 -0.645 9.212 -6.507 170 1HE2 GLN 22 1HE2 GLN 22 -0.326 12.358 -8.108 171 2HE2 GLN 22 2HE2 GLN 22 -0.933 10.713 -8.213 172 H LEU 23 H LEU 23 -0.817 6.562 -4.430 173 HA LEU 23 HA LEU 23 -0.370 6.537 -1.552 174 1HB LEU 23 1HB LEU 23 0.424 4.639 -3.768 175 2HB LEU 23 2HB LEU 23 0.878 4.465 -2.092 176 HG LEU 23 HG LEU 23 -2.041 4.616 -2.841 177 1HD1 LEU 23 3HD1 LEU 23 -0.949 2.720 -4.081 178 2HD1 LEU 23 1HD1 LEU 23 -0.281 2.142 -2.544 179 3HD1 LEU 23 2HD1 LEU 23 -2.029 2.139 -2.790 180 1HD2 LEU 23 1HD2 LEU 23 -1.369 4.901 -0.433 181 2HD2 LEU 23 2HD2 LEU 23 -2.337 3.445 -0.713 182 3HD2 LEU 23 3HD2 LEU 23 -0.582 3.314 -0.493 183 H SER 24 H SER 24 1.476 7.127 -0.553 184 HA SER 24 HA SER 24 3.865 7.996 -2.007 185 1HB SER 24 1HB SER 24 4.739 8.567 0.128 186 2HB SER 24 2HB SER 24 3.020 8.947 0.240 187 HG SER 24 HG SER 24 3.595 7.778 2.055 188 H LYS 25 H LYS 25 6.043 6.991 -1.225 189 HA LYS 25 HA LYS 25 6.122 4.243 -1.865 190 1HB LYS 25 1HB LYS 25 8.095 6.004 -0.293 191 2HB LYS 25 2HB LYS 25 8.430 4.328 -0.750 192 1HG LYS 25 1HG LYS 25 8.176 4.900 -3.131 193 2HG LYS 25 2HG LYS 25 7.922 6.606 -2.697 194 1HD LYS 25 1HD LYS 25 10.172 6.668 -1.657 195 2HD LYS 25 2HD LYS 25 10.409 4.952 -2.049 196 1HE LYS 25 1HE LYS 25 10.180 5.467 -4.470 197 2HE LYS 25 2HE LYS 25 9.960 7.184 -4.086 198 1HZ LYS 25 3HZ LYS 25 12.151 7.174 -3.123 199 2HZ LYS 25 1HZ LYS 25 12.349 5.578 -3.493 200 3HZ LYS 25 2HZ LYS 25 12.200 6.692 -4.698 201 H GLU 26 H GLU 26 6.070 5.935 1.292 202 HA GLU 26 HA GLU 26 6.429 3.558 2.850 203 1HB GLU 26 1HB GLU 26 6.914 5.864 3.670 204 2HB GLU 26 2HB GLU 26 5.178 6.221 3.640 205 1HG GLU 26 1HG GLU 26 5.929 5.653 5.874 206 2HG GLU 26 2HG GLU 26 4.759 4.461 5.326 207 H GLU 27 H GLU 27 3.563 5.382 1.840 208 HA GLU 27 HA GLU 27 1.639 3.716 3.126 209 1HB GLU 27 1HB GLU 27 1.461 5.265 0.537 210 2HB GLU 27 2HB GLU 27 0.075 4.561 1.395 211 1HG GLU 27 1HG GLU 27 0.137 6.062 3.141 212 2HG GLU 27 2HG GLU 27 1.868 6.338 3.028 213 H LEU 28 H LEU 28 3.052 3.416 -0.257 214 HA LEU 28 HA LEU 28 1.923 0.858 -0.739 215 1HB LEU 28 1HB LEU 28 4.424 2.272 -1.705 216 2HB LEU 28 2HB LEU 28 4.133 0.591 -2.176 217 HG LEU 28 HG LEU 28 1.951 2.600 -2.377 218 1HD1 LEU 28 1HD1 LEU 28 4.155 2.208 -4.419 219 2HD1 LEU 28 2HD1 LEU 28 2.612 3.034 -4.755 220 3HD1 LEU 28 3HD1 LEU 28 3.712 3.702 -3.535 221 1HD2 LEU 28 1HD2 LEU 28 1.428 0.160 -2.804 222 2HD2 LEU 28 2HD2 LEU 28 1.204 1.120 -4.274 223 3HD2 LEU 28 3HD2 LEU 28 2.665 0.140 -4.073 224 H LYS 29 H LYS 29 4.884 1.632 1.044 225 HA LYS 29 HA LYS 29 5.750 -1.085 1.203 226 1HB LYS 29 1HB LYS 29 7.055 0.999 1.828 227 2HB LYS 29 2HB LYS 29 6.068 1.175 3.255 228 1HG LYS 29 1HG LYS 29 6.859 -0.948 4.170 229 2HG LYS 29 2HG LYS 29 7.831 -1.251 2.722 230 1HD LYS 29 1HD LYS 29 9.149 0.812 3.176 231 2HD LYS 29 2HD LYS 29 8.141 1.152 4.594 232 1HE LYS 29 1HE LYS 29 8.896 -0.914 5.687 233 2HE LYS 29 2HE LYS 29 9.856 -1.353 4.261 234 1HZ LYS 29 1HZ LYS 29 10.256 1.023 5.941 235 2HZ LYS 29 2HZ LYS 29 11.179 -0.342 5.959 236 3HZ LYS 29 3HZ LYS 29 11.157 0.621 4.621 237 H LEU 30 H LEU 30 3.873 0.830 3.508 238 HA LEU 30 HA LEU 30 3.310 -1.351 5.261 239 1HB LEU 30 1HB LEU 30 1.646 1.140 4.672 240 2HB LEU 30 2HB LEU 30 1.380 0.077 6.063 241 HG LEU 30 HG LEU 30 3.970 1.616 5.568 242 1HD1 LEU 30 3HD1 LEU 30 2.084 3.154 5.919 243 2HD1 LEU 30 1HD1 LEU 30 1.625 2.274 7.394 244 3HD1 LEU 30 2HD1 LEU 30 3.171 3.148 7.316 245 1HD2 LEU 30 3HD2 LEU 30 2.926 0.107 8.005 246 2HD2 LEU 30 1HD2 LEU 30 4.321 -0.346 6.999 247 3HD2 LEU 30 2HD2 LEU 30 4.380 1.127 7.969 248 H LEU 31 H LEU 31 1.442 -0.136 2.523 249 HA LEU 31 HA LEU 31 -0.708 -1.935 2.570 250 1HB LEU 31 1HB LEU 31 -0.340 0.063 1.103 251 2HB LEU 31 2HB LEU 31 0.761 -0.887 0.108 252 HG LEU 31 HG LEU 31 -2.122 -1.597 0.630 253 1HD1 LEU 31 1HD1 LEU 31 -0.841 -0.089 -1.709 254 2HD1 LEU 31 2HD1 LEU 31 -2.536 -0.592 -1.667 255 3HD1 LEU 31 3HD1 LEU 31 -1.948 0.614 -0.513 256 1HD2 LEU 31 3HD2 LEU 31 -0.070 -2.615 -1.379 257 2HD2 LEU 31 1HD2 LEU 31 -1.044 -3.539 -0.205 258 3HD2 LEU 31 2HD2 LEU 31 -1.815 -2.825 -1.617 259 H LEU 32 H LEU 32 2.380 -2.273 0.889 260 HA LEU 32 HA LEU 32 1.997 -4.885 -0.158 261 1HB LEU 32 1HB LEU 32 4.507 -3.349 0.616 262 2HB LEU 32 2HB LEU 32 4.582 -4.943 -0.127 263 HG LEU 32 HG LEU 32 3.050 -2.683 -1.471 264 1HD1 LEU 32 1HD1 LEU 32 6.001 -3.395 -1.798 265 2HD1 LEU 32 2HD1 LEU 32 5.090 -2.242 -2.798 266 3HD1 LEU 32 3HD1 LEU 32 5.376 -1.892 -1.087 267 1HD2 LEU 32 3HD2 LEU 32 4.420 -5.196 -2.488 268 2HD2 LEU 32 1HD2 LEU 32 2.662 -4.983 -2.309 269 3HD2 LEU 32 2HD2 LEU 32 3.555 -4.009 -3.488 270 H GLN 33 H GLN 33 3.697 -3.875 2.836 271 HA GLN 33 HA GLN 33 4.399 -6.434 3.737 272 1HB GLN 33 1HB GLN 33 3.766 -3.856 5.199 273 2HB GLN 33 2HB GLN 33 4.351 -5.306 6.046 274 1HG GLN 33 1HG GLN 33 6.390 -5.360 4.732 275 2HG GLN 33 2HG GLN 33 5.858 -4.009 3.733 276 1HE2 GLN 33 1HE2 GLN 33 6.249 -2.293 7.311 277 2HE2 GLN 33 2HE2 GLN 33 4.822 -3.187 6.828 278 H THR 34 H THR 34 1.441 -4.593 4.466 279 HA THR 34 HA THR 34 0.510 -6.697 6.234 280 HB THR 34 HB THR 34 -1.383 -4.718 5.008 281 HG1 THR 34 HG1 THR 34 0.477 -3.512 5.675 282 1HG2 THR 34 3HG2 THR 34 -2.195 -6.461 6.613 283 2HG2 THR 34 1HG2 THR 34 -1.064 -5.838 7.830 284 3HG2 THR 34 2HG2 THR 34 -2.404 -4.830 7.259 285 H GLU 35 H GLU 35 -0.446 -5.695 2.866 286 HA GLU 35 HA GLU 35 -2.485 -7.806 2.869 287 1HB GLU 35 1HB GLU 35 -1.884 -5.505 0.977 288 2HB GLU 35 2HB GLU 35 -3.280 -6.587 0.910 289 1HG GLU 35 1HG GLU 35 -2.580 -4.583 3.108 290 2HG GLU 35 2HG GLU 35 -3.873 -4.449 1.932 291 H PHE 36 H PHE 36 0.647 -7.176 1.362 292 HA PHE 36 HA PHE 36 0.270 -9.640 -0.292 293 1HB PHE 36 1HB PHE 36 1.329 -7.025 -1.364 294 2HB PHE 36 2HB PHE 36 1.152 -8.550 -2.221 295 HD1 PHE 36 HD1 PHE 36 -1.138 -9.412 -2.855 296 HD2 PHE 36 HD2 PHE 36 -0.526 -5.540 -1.081 297 HE1 PHE 36 HE1 PHE 36 -3.486 -8.760 -3.425 298 HE2 PHE 36 HE2 PHE 36 -2.918 -4.974 -1.508 299 HZ PHE 36 HZ PHE 36 -4.426 -6.670 -2.487 300 HA PRO 37 HA PRO 37 4.417 -9.749 1.909 301 1HB PRO 37 1HB PRO 37 3.223 -12.527 2.089 302 2HB PRO 37 2HB PRO 37 4.367 -11.733 3.211 303 1HG PRO 37 1HG PRO 37 1.729 -11.819 3.831 304 2HG PRO 37 2HG PRO 37 2.629 -10.287 4.039 305 1HD PRO 37 1HD PRO 37 0.791 -11.064 1.765 306 2HD PRO 37 2HD PRO 37 0.932 -9.531 2.677 307 H SER 38 H SER 38 2.546 -11.464 -0.591 308 HA SER 38 HA SER 38 4.538 -13.081 -1.820 309 1HB SER 38 1HB SER 38 2.831 -12.651 -3.763 310 2HB SER 38 2HB SER 38 2.244 -13.474 -2.303 311 HG SER 38 HG SER 38 0.855 -11.741 -2.899 312 H LEU 39 H LEU 39 3.134 -9.941 -2.672 313 HA LEU 39 HA LEU 39 5.063 -9.195 -4.630 314 1HB LEU 39 1HB LEU 39 3.279 -7.533 -2.841 315 2HB LEU 39 2HB LEU 39 4.249 -6.849 -4.162 316 HG LEU 39 HG LEU 39 2.048 -8.923 -4.512 317 1HD1 LEU 39 3HD1 LEU 39 1.215 -6.666 -3.839 318 2HD1 LEU 39 1HD1 LEU 39 2.160 -5.936 -5.143 319 3HD1 LEU 39 2HD1 LEU 39 0.807 -7.019 -5.522 320 1HD2 LEU 39 3HD2 LEU 39 3.744 -7.410 -6.549 321 2HD2 LEU 39 1HD2 LEU 39 3.663 -9.173 -6.326 322 3HD2 LEU 39 2HD2 LEU 39 2.261 -8.301 -6.943 323 H LEU 40 H LEU 40 4.955 -8.613 -1.133 324 HA LEU 40 HA LEU 40 7.217 -6.938 -0.979 325 1HB LEU 40 1HB LEU 40 5.556 -7.547 0.899 326 2HB LEU 40 2HB LEU 40 6.506 -9.024 1.100 327 HG LEU 40 HG LEU 40 8.565 -7.452 1.382 328 1HD1 LEU 40 1HD1 LEU 40 6.282 -5.490 1.891 329 2HD1 LEU 40 2HD1 LEU 40 7.987 -5.216 2.309 330 3HD1 LEU 40 3HD1 LEU 40 7.505 -5.352 0.613 331 1HD2 LEU 40 3HD2 LEU 40 6.356 -7.590 3.466 332 2HD2 LEU 40 1HD2 LEU 40 7.635 -8.785 3.191 333 3HD2 LEU 40 2HD2 LEU 40 8.054 -7.171 3.786 334 H LYS 41 H LYS 41 7.060 -10.488 -0.825 335 HA LYS 41 HA LYS 41 9.900 -10.938 -0.632 336 1HB LYS 41 1HB LYS 41 7.543 -12.638 -1.530 337 2HB LYS 41 2HB LYS 41 9.191 -13.245 -1.438 338 1HG LYS 41 1HG LYS 41 9.327 -12.850 0.943 339 2HG LYS 41 2HG LYS 41 7.793 -11.966 0.951 340 1HD LYS 41 1HD LYS 41 6.588 -14.010 0.239 341 2HD LYS 41 2HD LYS 41 8.116 -14.920 0.252 342 1HE LYS 41 1HE LYS 41 8.370 -14.436 2.686 343 2HE LYS 41 2HE LYS 41 6.845 -13.525 2.662 344 1HZ LYS 41 3HZ LYS 41 5.728 -15.535 2.028 345 2HZ LYS 41 1HZ LYS 41 7.143 -16.382 2.050 346 3HZ LYS 41 2HZ LYS 41 6.540 -15.747 3.446 347 H GLY 42 H GLY 42 7.615 -10.699 -3.299 348 1HA GLY 42 1HA GLY 42 8.844 -11.430 -5.576 349 2HA GLY 42 2HA GLY 42 7.951 -9.908 -5.440 350 H GLY 43 H GLY 43 10.852 -11.193 -6.345 351 1HA GLY 43 1HA GLY 43 12.812 -9.547 -5.201 352 2HA GLY 43 2HA GLY 43 12.977 -10.483 -6.689 353 H SER 44 H SER 44 11.485 -7.386 -5.531 354 HA SER 44 HA SER 44 13.120 -5.836 -7.365 355 1HB SER 44 1HB SER 44 10.072 -6.051 -7.500 356 2HB SER 44 2HB SER 44 10.965 -4.623 -8.029 357 HG SER 44 HG SER 44 11.805 -7.139 -8.965 358 H THR 45 H THR 45 13.381 -3.727 -6.396 359 HA THR 45 HA THR 45 12.725 -3.679 -3.569 360 HB THR 45 HB THR 45 13.827 -1.518 -3.534 361 HG1 THR 45 HG1 THR 45 14.685 -0.801 -5.635 362 1HG2 THR 45 3HG2 THR 45 15.240 -3.572 -3.619 363 2HG2 THR 45 1HG2 THR 45 15.363 -3.403 -5.381 364 3HG2 THR 45 2HG2 THR 45 16.038 -2.154 -4.321 365 H LEU 46 H LEU 46 11.548 -1.881 -2.544 366 HA LEU 46 HA LEU 46 8.914 -1.464 -3.515 367 1HB LEU 46 1HB LEU 46 10.535 0.386 -1.714 368 2HB LEU 46 2HB LEU 46 8.774 0.153 -1.687 369 HG LEU 46 HG LEU 46 11.001 -1.703 -0.783 370 1HD1 LEU 46 3HD1 LEU 46 10.549 0.160 0.722 371 2HD1 LEU 46 1HD1 LEU 46 8.823 -0.253 0.751 372 3HD1 LEU 46 2HD1 LEU 46 10.021 -1.363 1.460 373 1HD2 LEU 46 3HD2 LEU 46 7.971 -2.180 -0.711 374 2HD2 LEU 46 1HD2 LEU 46 9.128 -3.095 -1.703 375 3HD2 LEU 46 2HD2 LEU 46 9.183 -3.224 0.061 376 H ASP 47 H ASP 47 11.880 0.427 -3.572 377 HA ASP 47 HA ASP 47 10.936 2.696 -4.921 378 1HB ASP 47 1HB ASP 47 13.701 1.405 -5.007 379 2HB ASP 47 2HB ASP 47 13.325 3.069 -5.471 380 H GLU 48 H GLU 48 12.374 -0.262 -6.320 381 HA GLU 48 HA GLU 48 12.076 0.550 -9.044 382 1HB GLU 48 1HB GLU 48 12.169 -2.174 -7.719 383 2HB GLU 48 2HB GLU 48 11.979 -1.995 -9.466 384 1HG GLU 48 1HG GLU 48 14.061 -0.813 -9.698 385 2HG GLU 48 2HG GLU 48 14.303 -0.736 -7.953 386 H LEU 49 H LEU 49 9.849 -1.288 -6.941 387 HA LEU 49 HA LEU 49 7.826 -1.602 -8.949 388 1HB LEU 49 1HB LEU 49 7.613 -1.422 -5.915 389 2HB LEU 49 2HB LEU 49 6.268 -1.880 -6.962 390 HG LEU 49 HG LEU 49 8.904 -3.418 -6.885 391 1HD1 LEU 49 3HD1 LEU 49 7.855 -3.460 -4.660 392 2HD1 LEU 49 1HD1 LEU 49 6.313 -3.973 -5.383 393 3HD1 LEU 49 2HD1 LEU 49 7.733 -5.040 -5.448 394 1HD2 LEU 49 3HD2 LEU 49 6.135 -4.118 -7.962 395 2HD2 LEU 49 1HD2 LEU 49 7.595 -3.827 -8.932 396 3HD2 LEU 49 2HD2 LEU 49 7.512 -5.233 -7.868 397 H PHE 50 H PHE 50 8.318 0.911 -6.513 398 HA PHE 50 HA PHE 50 6.053 2.495 -7.086 399 1HB PHE 50 1HB PHE 50 7.571 2.725 -5.109 400 2HB PHE 50 2HB PHE 50 8.849 3.327 -6.151 401 HD1 PHE 50 HD2 PHE 50 5.662 4.107 -4.509 402 HD2 PHE 50 HD1 PHE 50 8.722 5.649 -7.117 403 HE1 PHE 50 HE2 PHE 50 5.095 6.376 -3.797 404 HE2 PHE 50 HE1 PHE 50 8.067 7.962 -6.481 405 HZ PHE 50 HZ PHE 50 6.346 8.335 -4.755 406 H GLU 51 H GLU 51 9.398 2.737 -8.399 407 HA GLU 51 HA GLU 51 8.851 4.872 -10.166 408 1HB GLU 51 1HB GLU 51 11.118 4.029 -9.473 409 2HB GLU 51 2HB GLU 51 10.862 2.590 -10.477 410 1HG GLU 51 1HG GLU 51 10.725 4.032 -12.499 411 2HG GLU 51 2HG GLU 51 10.917 5.473 -11.485 412 H GLU 52 H GLU 52 8.659 1.364 -10.644 413 HA GLU 52 HA GLU 52 8.005 1.387 -13.381 414 1HB GLU 52 1HB GLU 52 8.643 -0.596 -11.972 415 2HB GLU 52 2HB GLU 52 7.003 -0.628 -11.321 416 1HG GLU 52 1HG GLU 52 7.725 -0.866 -14.286 417 2HG GLU 52 2HG GLU 52 7.473 -2.241 -13.206 418 H LEU 53 H LEU 53 5.878 1.602 -10.527 419 HA LEU 53 HA LEU 53 3.455 1.670 -12.137 420 1HB LEU 53 1HB LEU 53 4.032 2.271 -9.219 421 2HB LEU 53 2HB LEU 53 2.433 2.194 -9.959 422 HG LEU 53 HG LEU 53 4.377 -0.158 -9.927 423 1HD1 LEU 53 3HD1 LEU 53 3.711 0.534 -7.639 424 2HD1 LEU 53 1HD1 LEU 53 2.000 0.422 -8.114 425 3HD1 LEU 53 2HD1 LEU 53 3.022 -1.032 -8.085 426 1HD2 LEU 53 3HD2 LEU 53 1.397 -0.053 -10.539 427 2HD2 LEU 53 1HD2 LEU 53 2.697 -0.308 -11.724 428 3HD2 LEU 53 2HD2 LEU 53 2.426 -1.508 -10.476 429 H ASP 54 H ASP 54 5.417 4.081 -10.523 430 HA ASP 54 HA ASP 54 3.752 6.398 -10.893 431 1HB ASP 54 1HB ASP 54 5.476 6.230 -9.204 432 2HB ASP 54 2HB ASP 54 6.704 5.936 -10.418 433 H LYS 55 H LYS 55 3.170 5.826 -13.185 434 HA LYS 55 HA LYS 55 4.994 5.490 -15.215 435 1HB LYS 55 1HB LYS 55 2.321 6.744 -15.687 436 2HB LYS 55 2HB LYS 55 3.391 5.926 -16.838 437 1HG LYS 55 1HG LYS 55 1.913 4.760 -14.489 438 2HG LYS 55 2HG LYS 55 1.626 4.405 -16.191 439 1HD LYS 55 1HD LYS 55 4.046 3.587 -14.530 440 2HD LYS 55 2HD LYS 55 2.711 2.550 -14.986 441 1HE LYS 55 1HE LYS 55 3.315 2.840 -17.402 442 2HE LYS 55 2HE LYS 55 4.706 3.825 -16.907 443 1HZ LYS 55 3HZ LYS 55 5.431 1.916 -15.587 444 2HZ LYS 55 1HZ LYS 55 4.232 1.009 -16.237 445 3HZ LYS 55 2HZ LYS 55 5.412 1.615 -17.215 446 H ASN 56 H ASN 56 6.618 6.824 -15.161 447 HA ASN 56 HA ASN 56 7.837 8.174 -16.591 448 1HB ASN 56 1HB ASN 56 7.056 9.604 -18.054 449 2HB ASN 56 2HB ASN 56 5.466 9.004 -17.660 450 1HD2 ASN 56 1HD2 ASN 56 4.805 12.071 -15.651 451 2HD2 ASN 56 2HD2 ASN 56 4.618 10.312 -15.551 452 H GLY 57 H GLY 57 6.936 8.376 -13.531 453 1HA GLY 57 1HA GLY 57 8.139 9.311 -11.794 454 2HA GLY 57 2HA GLY 57 9.121 10.207 -12.937 455 H ASP 58 H ASP 58 5.556 10.180 -12.141 456 HA ASP 58 HA ASP 58 5.513 13.115 -12.129 457 1HB ASP 58 1HB ASP 58 3.170 12.812 -11.551 458 2HB ASP 58 2HB ASP 58 3.603 12.021 -13.065 459 H GLY 59 H GLY 59 5.047 10.397 -9.752 460 1HA GLY 59 1HA GLY 59 6.991 11.023 -8.015 461 2HA GLY 59 2HA GLY 59 5.690 12.111 -7.469 462 H GLU 60 H GLU 60 3.590 11.050 -7.083 463 HA GLU 60 HA GLU 60 4.093 8.500 -5.574 464 1HB GLU 60 1HB GLU 60 2.178 10.797 -5.025 465 2HB GLU 60 2HB GLU 60 2.214 9.270 -4.125 466 1HG GLU 60 1HG GLU 60 4.669 9.747 -3.640 467 2HG GLU 60 2HG GLU 60 4.412 11.366 -4.313 468 H VAL 61 H VAL 61 2.400 6.910 -5.527 469 HA VAL 61 HA VAL 61 1.688 6.570 -8.339 470 HB VAL 61 HB VAL 61 1.330 4.511 -6.155 471 1HG1 VAL 61 3HG1 VAL 61 0.391 4.107 -8.473 472 2HG1 VAL 61 1HG1 VAL 61 2.045 4.330 -9.113 473 3HG1 VAL 61 2HG1 VAL 61 1.673 2.980 -8.004 474 1HG2 VAL 61 3HG2 VAL 61 3.861 5.289 -7.680 475 2HG2 VAL 61 1HG2 VAL 61 3.635 5.242 -5.918 476 3HG2 VAL 61 2HG2 VAL 61 3.649 3.740 -6.846 477 H SER 62 H SER 62 -0.186 7.380 -9.034 478 HA SER 62 HA SER 62 -2.483 7.779 -7.353 479 1HB SER 62 1HB SER 62 -2.502 7.985 -10.364 480 2HB SER 62 2HB SER 62 -3.414 8.903 -9.159 481 HG SER 62 HG SER 62 -0.643 9.065 -9.798 482 H PHE 63 H PHE 63 -4.606 6.784 -7.556 483 HA PHE 63 HA PHE 63 -4.522 4.035 -7.637 484 1HB PHE 63 1HB PHE 63 -6.355 5.283 -6.599 485 2HB PHE 63 2HB PHE 63 -6.994 5.703 -8.190 486 HD1 PHE 63 HD1 PHE 63 -6.009 2.741 -6.106 487 HD2 PHE 63 HD2 PHE 63 -8.505 4.162 -9.310 488 HE1 PHE 63 HE1 PHE 63 -7.134 0.545 -6.195 489 HE2 PHE 63 HE2 PHE 63 -9.579 1.933 -9.446 490 HZ PHE 63 HZ PHE 63 -8.891 0.111 -7.875 491 H GLU 64 H GLU 64 -5.290 6.112 -10.415 492 HA GLU 64 HA GLU 64 -6.152 3.992 -12.094 493 1HB GLU 64 1HB GLU 64 -6.542 6.402 -12.578 494 2HB GLU 64 2HB GLU 64 -4.815 6.626 -12.908 495 1HG GLU 64 1HG GLU 64 -6.080 6.393 -14.990 496 2HG GLU 64 2HG GLU 64 -4.982 5.022 -14.810 497 H GLU 65 H GLU 65 -2.903 5.597 -12.018 498 HA GLU 65 HA GLU 65 -1.700 3.681 -13.736 499 1HB GLU 65 1HB GLU 65 0.440 4.525 -12.907 500 2HB GLU 65 2HB GLU 65 -0.659 5.791 -13.476 501 1HG GLU 65 1HG GLU 65 -1.257 6.222 -11.054 502 2HG GLU 65 2HG GLU 65 0.022 5.089 -10.589 503 H PHE 66 H PHE 66 -2.117 3.666 -10.202 504 HA PHE 66 HA PHE 66 -0.618 1.377 -9.525 505 1HB PHE 66 1HB PHE 66 -1.587 2.707 -7.801 506 2HB PHE 66 2HB PHE 66 -3.146 2.617 -8.570 507 HD1 PHE 66 HD1 PHE 66 -0.737 0.508 -6.606 508 HD2 PHE 66 HD2 PHE 66 -4.739 1.080 -8.053 509 HE1 PHE 66 HE1 PHE 66 -1.555 -1.248 -5.055 510 HE2 PHE 66 HE2 PHE 66 -5.508 -0.883 -6.774 511 HZ PHE 66 HZ PHE 66 -3.962 -1.891 -5.051 512 H GLN 67 H GLN 67 -3.666 1.535 -11.400 513 HA GLN 67 HA GLN 67 -4.367 -1.171 -11.151 514 1HB GLN 67 1HB GLN 67 -4.628 0.486 -13.690 515 2HB GLN 67 2HB GLN 67 -5.400 -1.061 -13.360 516 1HG GLN 67 1HG GLN 67 -6.041 1.597 -12.076 517 2HG GLN 67 2HG GLN 67 -7.084 0.516 -12.985 518 1HE2 GLN 67 1HE2 GLN 67 -6.513 0.076 -8.951 519 2HE2 GLN 67 2HE2 GLN 67 -5.791 1.361 -9.905 520 H VAL 68 H VAL 68 -1.594 0.156 -12.833 521 HA VAL 68 HA VAL 68 -0.944 -2.082 -14.461 522 HB VAL 68 HB VAL 68 0.790 -0.019 -13.066 523 1HG1 VAL 68 1HG1 VAL 68 1.587 -1.971 -15.265 524 2HG1 VAL 68 2HG1 VAL 68 2.554 -0.601 -14.691 525 3HG1 VAL 68 3HG1 VAL 68 2.222 -1.950 -13.606 526 1HG2 VAL 68 1HG2 VAL 68 -0.815 0.875 -14.784 527 2HG2 VAL 68 2HG2 VAL 68 0.864 1.019 -15.313 528 3HG2 VAL 68 3HG2 VAL 68 -0.160 -0.275 -15.961 529 H LEU 69 H LEU 69 -0.699 -1.583 -10.960 530 HA LEU 69 HA LEU 69 0.777 -4.088 -10.545 531 1HB LEU 69 1HB LEU 69 0.844 -2.028 -8.965 532 2HB LEU 69 2HB LEU 69 -0.807 -2.439 -8.525 533 HG LEU 69 HG LEU 69 0.067 -4.751 -7.856 534 1HD1 LEU 69 1HD1 LEU 69 2.744 -3.309 -8.050 535 2HD1 LEU 69 2HD1 LEU 69 2.468 -4.874 -7.270 536 3HD1 LEU 69 3HD1 LEU 69 2.255 -4.718 -9.016 537 1HD2 LEU 69 3HD2 LEU 69 1.059 -2.266 -6.394 538 2HD2 LEU 69 1HD2 LEU 69 -0.536 -3.036 -6.229 539 3HD2 LEU 69 2HD2 LEU 69 0.914 -3.886 -5.678 540 H VAL 70 H VAL 70 -2.562 -2.836 -10.087 541 HA VAL 70 HA VAL 70 -3.726 -5.093 -8.986 542 HB VAL 70 HB VAL 70 -4.977 -3.192 -11.013 543 1HG1 VAL 70 1HG1 VAL 70 -6.331 -5.202 -9.208 544 2HG1 VAL 70 2HG1 VAL 70 -7.150 -3.825 -9.973 545 3HG1 VAL 70 3HG1 VAL 70 -6.416 -5.078 -10.970 546 1HG2 VAL 70 3HG2 VAL 70 -4.927 -3.211 -7.953 547 2HG2 VAL 70 1HG2 VAL 70 -4.144 -2.024 -8.999 548 3HG2 VAL 70 2HG2 VAL 70 -5.910 -2.116 -8.934 549 H LYS 71 H LYS 71 -3.237 -4.496 -12.505 550 HA LYS 71 HA LYS 71 -4.562 -6.861 -13.279 551 1HB LYS 71 1HB LYS 71 -3.470 -6.673 -15.413 552 2HB LYS 71 2HB LYS 71 -4.037 -5.092 -14.834 553 1HG LYS 71 1HG LYS 71 -1.685 -4.600 -14.105 554 2HG LYS 71 2HG LYS 71 -1.178 -6.119 -14.872 555 1HD LYS 71 1HD LYS 71 -2.235 -5.234 -17.032 556 2HD LYS 71 2HD LYS 71 -2.409 -3.676 -16.198 557 1HE LYS 71 1HE LYS 71 0.109 -3.776 -15.736 558 2HE LYS 71 2HE LYS 71 0.176 -5.203 -16.780 559 1HZ LYS 71 3HZ LYS 71 -0.676 -3.863 -18.564 560 2HZ LYS 71 1HZ LYS 71 -0.738 -2.533 -17.591 561 3HZ LYS 71 2HZ LYS 71 0.714 -3.216 -17.963 562 H LYS 72 H LYS 72 -1.214 -6.435 -12.263 563 HA LYS 72 HA LYS 72 -0.386 -9.181 -12.782 564 1HB LYS 72 1HB LYS 72 0.749 -6.910 -11.136 565 2HB LYS 72 2HB LYS 72 1.245 -8.560 -10.787 566 1HG LYS 72 1HG LYS 72 2.813 -7.509 -12.272 567 2HG LYS 72 2HG LYS 72 2.042 -8.905 -13.043 568 1HD LYS 72 1HD LYS 72 0.632 -7.459 -14.396 569 2HD LYS 72 2HD LYS 72 1.117 -6.030 -13.461 570 1HE LYS 72 1HE LYS 72 2.279 -6.060 -15.616 571 2HE LYS 72 2HE LYS 72 3.434 -6.238 -14.290 572 1HZ LYS 72 1HZ LYS 72 2.367 -8.432 -15.932 573 2HZ LYS 72 2HZ LYS 72 3.863 -7.758 -16.080 574 3HZ LYS 72 3HZ LYS 72 3.467 -8.588 -14.714 575 H ILE 73 H ILE 73 -1.778 -7.483 -9.993 576 HA ILE 73 HA ILE 73 -1.659 -9.733 -8.238 577 HB ILE 73 HB ILE 73 -3.627 -7.413 -8.135 578 1HG1 ILE 73 1HG1 ILE 73 -0.896 -7.862 -6.845 579 2HG1 ILE 73 2HG1 ILE 73 -1.290 -6.674 -8.094 580 1HG2 ILE 73 3HG2 ILE 73 -4.364 -9.361 -6.760 581 2HG2 ILE 73 1HG2 ILE 73 -2.775 -9.394 -5.973 582 3HG2 ILE 73 2HG2 ILE 73 -3.879 -8.020 -5.754 583 1HD1 ILE 73 3HD1 ILE 73 -2.859 -5.550 -6.527 584 2HD1 ILE 73 1HD1 ILE 73 -2.266 -6.623 -5.227 585 3HD1 ILE 73 2HD1 ILE 73 -1.163 -5.509 -6.016 586 H SER 74 H SER 74 -4.377 -8.581 -10.217 587 HA SER 74 HA SER 74 -5.488 -11.284 -10.503 588 1HB SER 74 1HB SER 74 -6.962 -9.194 -8.850 589 2HB SER 74 2HB SER 74 -7.623 -10.752 -9.362 590 HG SER 74 HG SER 74 -5.341 -11.276 -8.142 591 H GLN 75 H GLN 75 -4.645 -9.766 -12.554 592 HA GLN 75 HA GLN 75 -5.287 -8.713 -14.471 593 1HB GLN 75 1HB GLN 75 -6.687 -10.111 -15.790 594 2HB GLN 75 2HB GLN 75 -5.614 -11.089 -14.803 595 1HG GLN 75 1HG GLN 75 -7.317 -12.154 -13.770 596 2HG GLN 75 2HG GLN 75 -8.199 -10.664 -13.436 597 1HE2 GLN 75 1HE2 GLN 75 -10.021 -10.670 -16.557 598 2HE2 GLN 75 2HE2 GLN 75 -9.101 -9.562 -15.531 No H/Q in entry = 598 Start of MODEL 14 Raw file had 599 H/Q atoms Start of MODEL 14 1 1H LYS 1 1H LYS 1 -9.446 -11.015 -5.751 2 2H LYS 1 2H LYS 1 -8.051 -10.095 -5.937 3 3H LYS 1 3H LYS 1 -8.346 -10.890 -4.485 4 HA LYS 1 HA LYS 1 -10.265 -9.546 -4.089 5 1HB LYS 1 1HB LYS 1 -7.767 -7.948 -4.800 6 2HB LYS 1 2HB LYS 1 -9.037 -7.422 -3.693 7 1HG LYS 1 1HG LYS 1 -7.109 -9.754 -3.288 8 2HG LYS 1 2HG LYS 1 -7.082 -8.180 -2.472 9 1HD LYS 1 1HD LYS 1 -9.410 -8.723 -1.568 10 2HD LYS 1 2HD LYS 1 -9.178 -10.373 -2.186 11 1HE LYS 1 1HE LYS 1 -7.122 -10.595 -0.801 12 2HE LYS 1 2HE LYS 1 -7.354 -8.944 -0.190 13 1HZ LYS 1 1HZ LYS 1 -9.218 -11.178 0.193 14 2HZ LYS 1 2HZ LYS 1 -8.186 -10.566 1.324 15 3HZ LYS 1 3HZ LYS 1 -9.425 -9.641 0.755 16 H SER 2 H SER 2 -11.654 -7.782 -4.822 17 HA SER 2 HA SER 2 -11.813 -7.555 -7.735 18 1HB SER 2 1HB SER 2 -13.867 -6.305 -7.252 19 2HB SER 2 2HB SER 2 -13.842 -7.843 -6.383 20 HG SER 2 HG SER 2 -14.457 -6.201 -4.967 21 HA PRO 3 HA PRO 3 -9.616 -3.609 -7.985 22 1HB PRO 3 1HB PRO 3 -12.125 -2.738 -9.459 23 2HB PRO 3 2HB PRO 3 -10.419 -2.375 -9.861 24 1HG PRO 3 1HG PRO 3 -11.704 -4.360 -11.181 25 2HG PRO 3 2HG PRO 3 -10.046 -4.642 -10.570 26 1HD PRO 3 1HD PRO 3 -12.661 -5.536 -9.343 27 2HD PRO 3 2HD PRO 3 -11.127 -6.433 -9.541 28 H GLU 4 H GLU 4 -13.119 -3.614 -7.177 29 HA GLU 4 HA GLU 4 -13.231 -1.177 -5.752 30 1HB GLU 4 1HB GLU 4 -14.890 -3.672 -5.356 31 2HB GLU 4 2HB GLU 4 -15.233 -2.039 -4.767 32 1HG GLU 4 1HG GLU 4 -16.302 -1.711 -6.694 33 2HG GLU 4 2HG GLU 4 -14.739 -1.505 -7.443 34 H GLU 5 H GLU 5 -12.541 -4.492 -4.617 35 HA GLU 5 HA GLU 5 -12.316 -3.775 -1.833 36 1HB GLU 5 1HB GLU 5 -12.669 -6.088 -2.832 37 2HB GLU 5 2HB GLU 5 -10.946 -6.118 -3.218 38 1HG GLU 5 1HG GLU 5 -12.185 -5.759 -0.436 39 2HG GLU 5 2HG GLU 5 -11.612 -7.295 -1.091 40 H LEU 6 H LEU 6 -10.026 -4.095 -4.513 41 HA LEU 6 HA LEU 6 -7.670 -3.298 -3.103 42 1HB LEU 6 1HB LEU 6 -8.449 -3.172 -6.033 43 2HB LEU 6 2HB LEU 6 -6.878 -2.739 -5.399 44 HG LEU 6 HG LEU 6 -8.221 -5.483 -5.401 45 1HD1 LEU 6 3HD1 LEU 6 -6.810 -4.651 -7.359 46 2HD1 LEU 6 1HD1 LEU 6 -5.424 -4.689 -6.217 47 3HD1 LEU 6 2HD1 LEU 6 -6.283 -6.186 -6.623 48 1HD2 LEU 6 3HD2 LEU 6 -5.756 -4.634 -3.833 49 2HD2 LEU 6 1HD2 LEU 6 -7.232 -5.419 -3.191 50 3HD2 LEU 6 2HD2 LEU 6 -6.149 -6.313 -4.253 51 H LYS 7 H LYS 7 -10.104 -1.308 -4.789 52 HA LYS 7 HA LYS 7 -8.808 1.154 -4.248 53 1HB LYS 7 1HB LYS 7 -10.874 0.886 -5.652 54 2HB LYS 7 2HB LYS 7 -11.820 0.626 -4.207 55 1HG LYS 7 1HG LYS 7 -12.065 2.909 -5.014 56 2HG LYS 7 2HG LYS 7 -11.421 2.848 -3.373 57 1HD LYS 7 1HD LYS 7 -9.156 3.361 -4.192 58 2HD LYS 7 2HD LYS 7 -9.724 3.244 -5.869 59 1HE LYS 7 1HE LYS 7 -11.189 5.194 -5.535 60 2HE LYS 7 2HE LYS 7 -10.699 5.296 -3.834 61 1HZ LYS 7 1HZ LYS 7 -8.905 5.588 -6.132 62 2HZ LYS 7 2HZ LYS 7 -9.495 6.826 -5.215 63 3HZ LYS 7 3HZ LYS 7 -8.476 5.714 -4.546 64 H GLY 8 H GLY 8 -11.047 -0.754 -2.298 65 1HA GLY 8 1HA GLY 8 -11.261 0.869 0.011 66 2HA GLY 8 2HA GLY 8 -11.301 -0.905 0.020 67 H ILE 9 H ILE 9 -8.917 -1.737 -0.629 68 HA ILE 9 HA ILE 9 -7.149 -1.437 1.566 69 HB ILE 9 HB ILE 9 -6.740 -2.358 -1.273 70 1HG1 ILE 9 1HG1 ILE 9 -8.356 -3.464 0.434 71 2HG1 ILE 9 2HG1 ILE 9 -7.263 -4.465 -0.534 72 1HG2 ILE 9 1HG2 ILE 9 -4.801 -2.528 1.040 73 2HG2 ILE 9 2HG2 ILE 9 -4.704 -3.533 -0.428 74 3HG2 ILE 9 3HG2 ILE 9 -4.548 -1.778 -0.543 75 1HD1 ILE 9 1HD1 ILE 9 -6.708 -3.610 2.345 76 2HD1 ILE 9 2HD1 ILE 9 -7.440 -5.151 1.862 77 3HD1 ILE 9 3HD1 ILE 9 -5.791 -4.779 1.357 78 H PHE 10 H PHE 10 -6.906 -0.038 -1.735 79 HA PHE 10 HA PHE 10 -4.565 1.418 -1.423 80 1HB PHE 10 1HB PHE 10 -5.844 0.961 -3.544 81 2HB PHE 10 2HB PHE 10 -7.034 2.135 -3.051 82 HD1 PHE 10 HD1 PHE 10 -6.301 4.553 -2.633 83 HD2 PHE 10 HD2 PHE 10 -3.803 1.647 -4.621 84 HE1 PHE 10 HE1 PHE 10 -4.708 6.289 -3.247 85 HE2 PHE 10 HE2 PHE 10 -2.473 3.504 -5.611 86 HZ PHE 10 HZ PHE 10 -2.990 5.835 -5.029 87 H GLU 11 H GLU 11 -7.936 2.409 -0.726 88 HA GLU 11 HA GLU 11 -7.299 5.080 0.124 89 1HB GLU 11 1HB GLU 11 -9.707 3.284 0.598 90 2HB GLU 11 2HB GLU 11 -9.595 4.950 1.188 91 1HG GLU 11 1HG GLU 11 -9.281 5.803 -1.087 92 2HG GLU 11 2HG GLU 11 -9.320 4.168 -1.749 93 H LYS 12 H LYS 12 -7.882 2.028 1.951 94 HA LYS 12 HA LYS 12 -7.604 2.917 4.566 95 1HB LYS 12 1HB LYS 12 -8.152 0.666 4.225 96 2HB LYS 12 2HB LYS 12 -6.772 0.351 3.180 97 1HG LYS 12 1HG LYS 12 -5.199 0.416 4.953 98 2HG LYS 12 2HG LYS 12 -6.459 0.909 6.128 99 1HD LYS 12 1HD LYS 12 -7.669 -1.258 5.594 100 2HD LYS 12 2HD LYS 12 -6.315 -1.698 4.538 101 1HE LYS 12 1HE LYS 12 -4.789 -1.441 6.585 102 2HE LYS 12 2HE LYS 12 -6.253 -1.262 7.560 103 1HZ LYS 12 3HZ LYS 12 -6.940 -3.427 6.800 104 2HZ LYS 12 1HZ LYS 12 -5.572 -3.591 5.894 105 3HZ LYS 12 2HZ LYS 12 -5.468 -3.506 7.535 106 H TYR 13 H TYR 13 -4.927 2.018 2.344 107 HA TYR 13 HA TYR 13 -2.956 2.878 4.346 108 1HB TYR 13 1HB TYR 13 -2.674 1.787 1.562 109 2HB TYR 13 2HB TYR 13 -1.317 2.254 2.590 110 HD1 TYR 13 HD1 TYR 13 -1.085 1.203 4.884 111 HD2 TYR 13 HD2 TYR 13 -3.988 -0.242 2.114 112 HE1 TYR 13 HE1 TYR 13 -1.235 -0.957 6.141 113 HE2 TYR 13 HE2 TYR 13 -4.146 -2.369 3.272 114 HH TYR 13 HH TYR 13 -3.473 -3.567 5.171 115 H ALA 14 H ALA 14 -4.239 4.259 1.335 116 HA ALA 14 HA ALA 14 -2.302 6.386 1.180 117 1HB ALA 14 3HB ALA 14 -3.616 5.582 -0.772 118 2HB ALA 14 1HB ALA 14 -5.087 6.236 -0.035 119 3HB ALA 14 2HB ALA 14 -3.766 7.322 -0.517 120 H ALA 15 H ALA 15 -5.650 6.341 2.337 121 HA ALA 15 HA ALA 15 -5.902 9.073 2.976 122 1HB ALA 15 3HB ALA 15 -7.785 7.429 2.894 123 2HB ALA 15 1HB ALA 15 -7.173 6.704 4.406 124 3HB ALA 15 2HB ALA 15 -7.766 8.373 4.400 125 H LYS 16 H LYS 16 -4.039 6.600 4.579 126 HA LYS 16 HA LYS 16 -4.111 7.466 7.231 127 1HB LYS 16 1HB LYS 16 -3.183 5.345 6.217 128 2HB LYS 16 2HB LYS 16 -1.735 6.262 5.753 129 1HG LYS 16 1HG LYS 16 -1.334 6.800 8.149 130 2HG LYS 16 2HG LYS 16 -2.767 5.866 8.602 131 1HD LYS 16 1HD LYS 16 -0.304 4.756 7.164 132 2HD LYS 16 2HD LYS 16 -0.628 4.616 8.900 133 1HE LYS 16 1HE LYS 16 -2.746 3.360 8.372 134 2HE LYS 16 2HE LYS 16 -2.306 3.391 6.655 135 1HZ LYS 16 1HZ LYS 16 -0.718 2.159 8.779 136 2HZ LYS 16 2HZ LYS 16 -1.657 1.371 7.677 137 3HZ LYS 16 3HZ LYS 16 -0.327 2.205 7.177 138 H GLU 17 H GLU 17 -2.429 8.809 4.411 139 HA GLU 17 HA GLU 17 -1.789 11.187 5.947 140 1HB GLU 17 1HB GLU 17 0.174 9.625 6.416 141 2HB GLU 17 2HB GLU 17 0.538 9.667 4.687 142 1HG GLU 17 1HG GLU 17 1.974 11.231 5.811 143 2HG GLU 17 2HG GLU 17 0.818 12.171 4.863 144 H GLY 18 H GLY 18 -1.414 9.413 2.903 145 1HA GLY 18 1HA GLY 18 -1.028 11.819 1.276 146 2HA GLY 18 2HA GLY 18 -1.253 10.150 0.720 147 H ASP 19 H ASP 19 -2.563 11.892 -0.746 148 HA ASP 19 HA ASP 19 -5.278 12.421 0.106 149 1HB ASP 19 1HB ASP 19 -4.251 13.584 -1.827 150 2HB ASP 19 2HB ASP 19 -4.078 12.043 -2.683 151 HA PRO 20 HA PRO 20 -6.594 8.164 0.181 152 1HB PRO 20 1HB PRO 20 -9.175 8.381 -0.963 153 2HB PRO 20 2HB PRO 20 -8.733 8.552 0.761 154 1HG PRO 20 1HG PRO 20 -9.086 10.704 -1.327 155 2HG PRO 20 2HG PRO 20 -9.641 10.718 0.374 156 1HD PRO 20 1HD PRO 20 -7.444 12.055 -0.327 157 2HD PRO 20 2HD PRO 20 -7.397 11.079 1.163 158 H ASN 21 H ASN 21 -6.660 9.924 -2.897 159 HA ASN 21 HA ASN 21 -6.936 7.471 -4.501 160 1HB ASN 21 1HB ASN 21 -6.646 10.390 -5.261 161 2HB ASN 21 2HB ASN 21 -7.071 9.061 -6.337 162 1HD2 ASN 21 1HD2 ASN 21 -9.929 10.812 -4.034 163 2HD2 ASN 21 2HD2 ASN 21 -8.238 11.294 -3.928 164 H GLN 22 H GLN 22 -4.316 8.983 -2.992 165 HA GLN 22 HA GLN 22 -2.434 7.952 -5.024 166 1HB GLN 22 1HB GLN 22 -2.876 10.296 -5.544 167 2HB GLN 22 2HB GLN 22 -2.347 10.765 -3.917 168 1HG GLN 22 1HG GLN 22 -0.115 10.036 -4.352 169 2HG GLN 22 2HG GLN 22 -0.570 9.203 -5.852 170 1HE2 GLN 22 1HE2 GLN 22 -0.602 12.184 -7.830 171 2HE2 GLN 22 2HE2 GLN 22 -1.173 10.527 -7.779 172 H LEU 23 H LEU 23 -1.027 6.579 -4.118 173 HA LEU 23 HA LEU 23 -0.616 6.583 -1.196 174 1HB LEU 23 1HB LEU 23 0.166 4.702 -3.445 175 2HB LEU 23 2HB LEU 23 0.712 4.542 -1.787 176 HG LEU 23 HG LEU 23 -2.238 4.568 -2.379 177 1HD1 LEU 23 3HD1 LEU 23 -1.094 2.773 -3.739 178 2HD1 LEU 23 1HD1 LEU 23 -0.390 2.153 -2.238 179 3HD1 LEU 23 2HD1 LEU 23 -2.150 2.123 -2.463 180 1HD2 LEU 23 1HD2 LEU 23 -1.373 4.809 -0.005 181 2HD2 LEU 23 2HD2 LEU 23 -2.358 3.358 -0.268 182 3HD2 LEU 23 3HD2 LEU 23 -0.591 3.233 -0.174 183 H SER 24 H SER 24 1.284 7.223 -0.286 184 HA SER 24 HA SER 24 3.577 8.079 -1.914 185 1HB SER 24 1HB SER 24 4.634 8.502 0.256 186 2HB SER 24 2HB SER 24 3.002 9.188 0.252 187 HG SER 24 HG SER 24 2.295 7.496 1.464 188 H LYS 25 H LYS 25 5.761 7.056 -1.397 189 HA LYS 25 HA LYS 25 5.764 4.309 -2.008 190 1HB LYS 25 1HB LYS 25 7.594 6.176 -2.225 191 2HB LYS 25 2HB LYS 25 8.076 5.661 -0.604 192 1HG LYS 25 1HG LYS 25 8.139 3.275 -1.555 193 2HG LYS 25 2HG LYS 25 7.967 3.957 -3.147 194 1HD LYS 25 1HD LYS 25 10.219 4.911 -1.344 195 2HD LYS 25 2HD LYS 25 10.347 3.406 -2.249 196 1HE LYS 25 1HE LYS 25 11.406 5.170 -3.507 197 2HE LYS 25 2HE LYS 25 9.992 4.580 -4.392 198 1HZ LYS 25 1HZ LYS 25 10.016 7.001 -2.738 199 2HZ LYS 25 2HZ LYS 25 10.223 6.968 -4.374 200 3HZ LYS 25 3HZ LYS 25 8.801 6.471 -3.727 201 H GLU 26 H GLU 26 5.900 5.991 1.121 202 HA GLU 26 HA GLU 26 6.533 3.638 2.660 203 1HB GLU 26 1HB GLU 26 5.144 6.218 3.591 204 2HB GLU 26 2HB GLU 26 5.986 5.024 4.594 205 1HG GLU 26 1HG GLU 26 8.068 5.522 3.216 206 2HG GLU 26 2HG GLU 26 7.215 6.909 2.527 207 H GLU 27 H GLU 27 3.535 5.362 1.939 208 HA GLU 27 HA GLU 27 1.808 3.569 3.373 209 1HB GLU 27 1HB GLU 27 1.285 5.295 0.946 210 2HB GLU 27 2HB GLU 27 0.025 4.419 1.839 211 1HG GLU 27 1HG GLU 27 0.347 5.603 3.851 212 2HG GLU 27 2HG GLU 27 1.887 6.296 3.340 213 H LEU 28 H LEU 28 2.948 3.480 -0.082 214 HA LEU 28 HA LEU 28 1.835 0.940 -0.679 215 1HB LEU 28 1HB LEU 28 4.358 2.352 -1.591 216 2HB LEU 28 2HB LEU 28 4.010 0.710 -2.144 217 HG LEU 28 HG LEU 28 1.910 2.821 -2.275 218 1HD1 LEU 28 1HD1 LEU 28 4.093 2.365 -4.332 219 2HD1 LEU 28 2HD1 LEU 28 2.628 3.354 -4.552 220 3HD1 LEU 28 3HD1 LEU 28 3.828 3.837 -3.349 221 1HD2 LEU 28 1HD2 LEU 28 1.282 0.425 -2.798 222 2HD2 LEU 28 2HD2 LEU 28 1.124 1.458 -4.228 223 3HD2 LEU 28 3HD2 LEU 28 2.533 0.396 -4.054 224 H LYS 29 H LYS 29 4.931 1.643 0.969 225 HA LYS 29 HA LYS 29 5.682 -1.100 0.991 226 1HB LYS 29 1HB LYS 29 7.069 0.964 1.606 227 2HB LYS 29 2HB LYS 29 6.227 1.031 3.125 228 1HG LYS 29 1HG LYS 29 7.079 -1.261 3.707 229 2HG LYS 29 2HG LYS 29 7.915 -1.318 2.142 230 1HD LYS 29 1HD LYS 29 9.294 0.647 2.812 231 2HD LYS 29 2HD LYS 29 8.399 0.758 4.335 232 1HE LYS 29 1HE LYS 29 10.545 -0.345 4.714 233 2HE LYS 29 2HE LYS 29 9.220 -1.481 5.012 234 1HZ LYS 29 1HZ LYS 29 10.820 -1.330 2.550 235 2HZ LYS 29 2HZ LYS 29 10.996 -2.451 3.744 236 3HZ LYS 29 3HZ LYS 29 9.614 -2.413 2.852 237 H LEU 30 H LEU 30 3.931 0.811 3.387 238 HA LEU 30 HA LEU 30 3.406 -1.376 5.157 239 1HB LEU 30 1HB LEU 30 1.762 1.141 4.650 240 2HB LEU 30 2HB LEU 30 1.491 0.045 6.010 241 HG LEU 30 HG LEU 30 4.106 1.553 5.529 242 1HD1 LEU 30 3HD1 LEU 30 2.219 3.090 5.985 243 2HD1 LEU 30 1HD1 LEU 30 1.836 2.172 7.459 244 3HD1 LEU 30 2HD1 LEU 30 3.377 3.044 7.324 245 1HD2 LEU 30 3HD2 LEU 30 3.076 -0.044 7.916 246 2HD2 LEU 30 1HD2 LEU 30 4.466 -0.459 6.887 247 3HD2 LEU 30 2HD2 LEU 30 4.532 0.971 7.917 248 H LEU 31 H LEU 31 1.408 -0.146 2.512 249 HA LEU 31 HA LEU 31 -0.732 -1.960 2.658 250 1HB LEU 31 1HB LEU 31 -0.554 0.015 1.177 251 2HB LEU 31 2HB LEU 31 0.608 -0.825 0.160 252 HG LEU 31 HG LEU 31 -2.220 -1.825 0.629 253 1HD1 LEU 31 1HD1 LEU 31 -1.100 -0.074 -1.603 254 2HD1 LEU 31 2HD1 LEU 31 -2.734 -0.758 -1.580 255 3HD1 LEU 31 3HD1 LEU 31 -2.267 0.443 -0.367 256 1HD2 LEU 31 3HD2 LEU 31 -0.112 -2.486 -1.479 257 2HD2 LEU 31 1HD2 LEU 31 -0.873 -3.606 -0.326 258 3HD2 LEU 31 2HD2 LEU 31 -1.825 -2.921 -1.630 259 H LEU 32 H LEU 32 2.285 -2.246 0.828 260 HA LEU 32 HA LEU 32 1.786 -4.843 -0.239 261 1HB LEU 32 1HB LEU 32 4.375 -3.334 0.353 262 2HB LEU 32 2HB LEU 32 4.332 -4.859 -0.531 263 HG LEU 32 HG LEU 32 2.718 -2.468 -1.498 264 1HD1 LEU 32 1HD1 LEU 32 5.606 -3.172 -2.197 265 2HD1 LEU 32 2HD1 LEU 32 4.615 -1.926 -2.985 266 3HD1 LEU 32 3HD1 LEU 32 5.085 -1.740 -1.289 267 1HD2 LEU 32 1HD2 LEU 32 2.217 -4.701 -2.478 268 2HD2 LEU 32 2HD2 LEU 32 2.948 -3.598 -3.658 269 3HD2 LEU 32 3HD2 LEU 32 3.940 -4.859 -2.900 270 H GLN 33 H GLN 33 3.711 -3.815 2.635 271 HA GLN 33 HA GLN 33 4.543 -6.357 3.453 272 1HB GLN 33 1HB GLN 33 5.404 -4.200 4.335 273 2HB GLN 33 2HB GLN 33 3.848 -3.899 5.122 274 1HG GLN 33 1HG GLN 33 4.222 -5.927 6.557 275 2HG GLN 33 2HG GLN 33 5.780 -6.173 5.751 276 1HE2 GLN 33 1HE2 GLN 33 5.304 -2.987 8.355 277 2HE2 GLN 33 2HE2 GLN 33 3.894 -3.672 7.564 278 H THR 34 H THR 34 1.632 -4.569 4.401 279 HA THR 34 HA THR 34 0.826 -6.640 6.243 280 HB THR 34 HB THR 34 -0.856 -4.365 5.156 281 HG1 THR 34 HG1 THR 34 0.960 -3.436 5.902 282 1HG2 THR 34 1HG2 THR 34 -0.864 -5.888 7.810 283 2HG2 THR 34 2HG2 THR 34 -1.870 -4.478 7.442 284 3HG2 THR 34 3HG2 THR 34 -2.111 -5.990 6.547 285 H GLU 35 H GLU 35 -0.281 -5.692 2.936 286 HA GLU 35 HA GLU 35 -2.383 -7.732 3.022 287 1HB GLU 35 1HB GLU 35 -1.702 -5.556 0.997 288 2HB GLU 35 2HB GLU 35 -3.135 -6.563 0.992 289 1HG GLU 35 1HG GLU 35 -2.306 -4.521 3.120 290 2HG GLU 35 2HG GLU 35 -3.526 -4.298 1.878 291 H PHE 36 H PHE 36 0.700 -7.147 1.392 292 HA PHE 36 HA PHE 36 0.439 -9.714 -0.099 293 1HB PHE 36 1HB PHE 36 1.073 -7.037 -1.373 294 2HB PHE 36 2HB PHE 36 1.037 -8.609 -2.165 295 HD1 PHE 36 HD1 PHE 36 -1.257 -9.924 -2.058 296 HD2 PHE 36 HD2 PHE 36 -0.811 -5.659 -1.601 297 HE1 PHE 36 HE1 PHE 36 -3.520 -9.587 -3.008 298 HE2 PHE 36 HE2 PHE 36 -3.043 -5.331 -2.721 299 HZ PHE 36 HZ PHE 36 -4.401 -7.302 -3.335 300 HA PRO 37 HA PRO 37 4.762 -9.032 1.745 301 1HB PRO 37 1HB PRO 37 4.161 -12.003 1.885 302 2HB PRO 37 2HB PRO 37 5.210 -11.030 2.960 303 1HG PRO 37 1HG PRO 37 2.688 -11.633 3.744 304 2HG PRO 37 2HG PRO 37 3.298 -9.966 3.950 305 1HD PRO 37 1HD PRO 37 1.464 -11.024 1.794 306 2HD PRO 37 2HD PRO 37 1.393 -9.489 2.711 307 H SER 38 H SER 38 3.242 -11.260 -0.620 308 HA SER 38 HA SER 38 5.461 -12.312 -1.934 309 1HB SER 38 1HB SER 38 2.930 -11.597 -3.401 310 2HB SER 38 2HB SER 38 3.845 -13.114 -3.379 311 HG SER 38 HG SER 38 1.907 -13.315 -2.181 312 H LEU 39 H LEU 39 3.669 -9.288 -2.256 313 HA LEU 39 HA LEU 39 5.096 -8.428 -4.675 314 1HB LEU 39 1HB LEU 39 2.887 -7.281 -2.983 315 2HB LEU 39 2HB LEU 39 3.514 -6.488 -4.456 316 HG LEU 39 HG LEU 39 2.176 -9.213 -4.317 317 1HD1 LEU 39 3HD1 LEU 39 0.745 -7.073 -3.964 318 2HD1 LEU 39 1HD1 LEU 39 1.118 -6.689 -5.648 319 3HD1 LEU 39 2HD1 LEU 39 0.246 -8.184 -5.244 320 1HD2 LEU 39 3HD2 LEU 39 3.189 -7.621 -6.711 321 2HD2 LEU 39 1HD2 LEU 39 3.712 -9.243 -6.200 322 3HD2 LEU 39 2HD2 LEU 39 2.080 -9.003 -6.825 323 H LEU 40 H LEU 40 4.940 -7.778 -1.194 324 HA LEU 40 HA LEU 40 6.617 -5.482 -1.141 325 1HB LEU 40 1HB LEU 40 5.486 -6.457 0.910 326 2HB LEU 40 2HB LEU 40 6.654 -7.778 0.851 327 HG LEU 40 HG LEU 40 8.503 -5.952 0.974 328 1HD1 LEU 40 1HD1 LEU 40 6.121 -4.325 1.956 329 2HD1 LEU 40 2HD1 LEU 40 7.827 -3.871 2.108 330 3HD1 LEU 40 3HD1 LEU 40 7.086 -3.979 0.507 331 1HD2 LEU 40 1HD2 LEU 40 8.002 -7.499 2.797 332 2HD2 LEU 40 2HD2 LEU 40 8.417 -5.883 3.393 333 3HD2 LEU 40 3HD2 LEU 40 6.729 -6.414 3.383 334 H LYS 41 H LYS 41 7.455 -8.944 -1.097 335 HA LYS 41 HA LYS 41 10.293 -8.516 -1.462 336 1HB LYS 41 1HB LYS 41 8.454 -10.900 -1.902 337 2HB LYS 41 2HB LYS 41 10.198 -10.934 -2.181 338 1HG LYS 41 1HG LYS 41 10.627 -10.196 0.127 339 2HG LYS 41 2HG LYS 41 8.901 -10.192 0.491 340 1HD LYS 41 1HD LYS 41 10.139 -12.740 -0.585 341 2HD LYS 41 2HD LYS 41 10.543 -12.251 1.061 342 1HE LYS 41 1HE LYS 41 8.641 -13.795 1.057 343 2HE LYS 41 2HE LYS 41 8.201 -12.218 1.733 344 1HZ LYS 41 1HZ LYS 41 7.650 -13.072 -1.021 345 2HZ LYS 41 2HZ LYS 41 6.562 -13.095 0.218 346 3HZ LYS 41 3HZ LYS 41 7.168 -11.658 -0.312 347 H GLY 42 H GLY 42 7.794 -9.643 -3.728 348 1HA GLY 42 1HA GLY 42 7.309 -9.086 -5.871 349 2HA GLY 42 2HA GLY 42 8.306 -7.644 -5.662 350 H GLY 43 H GLY 43 10.764 -8.212 -5.663 351 1HA GLY 43 1HA GLY 43 12.365 -9.818 -6.920 352 2HA GLY 43 2HA GLY 43 11.305 -9.487 -8.314 353 H SER 44 H SER 44 10.729 -7.059 -8.562 354 HA SER 44 HA SER 44 12.999 -5.350 -8.768 355 1HB SER 44 1HB SER 44 10.044 -4.629 -8.409 356 2HB SER 44 2HB SER 44 11.299 -3.617 -9.127 357 HG SER 44 HG SER 44 10.237 -4.558 -10.794 358 H THR 45 H THR 45 13.742 -3.710 -7.275 359 HA THR 45 HA THR 45 13.166 -4.012 -4.465 360 HB THR 45 HB THR 45 14.225 -1.762 -4.253 361 HG1 THR 45 HG1 THR 45 14.542 -1.847 -7.053 362 1HG2 THR 45 1HG2 THR 45 15.745 -3.652 -6.111 363 2HG2 THR 45 2HG2 THR 45 16.445 -2.346 -5.135 364 3HG2 THR 45 3HG2 THR 45 15.679 -3.736 -4.343 365 H LEU 46 H LEU 46 11.983 -2.416 -3.115 366 HA LEU 46 HA LEU 46 9.406 -1.746 -3.945 367 1HB LEU 46 1HB LEU 46 10.110 -1.752 -1.583 368 2HB LEU 46 2HB LEU 46 11.263 -0.447 -1.901 369 HG LEU 46 HG LEU 46 9.385 1.108 -2.392 370 1HD1 LEU 46 1HD1 LEU 46 7.637 -1.228 -1.480 371 2HD1 LEU 46 2HD1 LEU 46 7.081 0.444 -1.699 372 3HD1 LEU 46 3HD1 LEU 46 7.632 -0.488 -3.097 373 1HD2 LEU 46 1HD2 LEU 46 10.399 0.974 -0.154 374 2HD2 LEU 46 2HD2 LEU 46 8.674 1.361 -0.062 375 3HD2 LEU 46 3HD2 LEU 46 9.233 -0.286 0.306 376 H ASP 47 H ASP 47 12.351 0.230 -4.070 377 HA ASP 47 HA ASP 47 11.212 2.576 -5.100 378 1HB ASP 47 1HB ASP 47 14.000 1.405 -5.549 379 2HB ASP 47 2HB ASP 47 13.529 3.087 -5.817 380 H GLU 48 H GLU 48 12.761 -0.102 -6.872 381 HA GLU 48 HA GLU 48 12.179 0.878 -9.487 382 1HB GLU 48 1HB GLU 48 12.536 -1.908 -8.384 383 2HB GLU 48 2HB GLU 48 12.258 -1.609 -10.113 384 1HG GLU 48 1HG GLU 48 14.265 -0.330 -10.346 385 2HG GLU 48 2HG GLU 48 14.539 -0.270 -8.603 386 H LEU 49 H LEU 49 10.260 -1.231 -7.347 387 HA LEU 49 HA LEU 49 8.136 -1.679 -9.143 388 1HB LEU 49 1HB LEU 49 8.483 -2.965 -7.072 389 2HB LEU 49 2HB LEU 49 8.092 -1.541 -6.104 390 HG LEU 49 HG LEU 49 5.779 -1.544 -6.986 391 1HD1 LEU 49 1HD1 LEU 49 6.690 -4.044 -8.486 392 2HD1 LEU 49 2HD1 LEU 49 4.995 -3.579 -8.249 393 3HD1 LEU 49 3HD1 LEU 49 6.057 -2.541 -9.199 394 1HD2 LEU 49 1HD2 LEU 49 6.350 -2.779 -4.922 395 2HD2 LEU 49 2HD2 LEU 49 5.032 -3.568 -5.807 396 3HD2 LEU 49 3HD2 LEU 49 6.675 -4.239 -5.879 397 H PHE 50 H PHE 50 8.572 0.823 -6.670 398 HA PHE 50 HA PHE 50 6.172 2.263 -6.990 399 1HB PHE 50 1HB PHE 50 7.774 2.593 -5.178 400 2HB PHE 50 2HB PHE 50 8.975 3.212 -6.292 401 HD1 PHE 50 HD2 PHE 50 5.900 3.993 -4.456 402 HD2 PHE 50 HD1 PHE 50 8.889 5.467 -7.180 403 HE1 PHE 50 HE2 PHE 50 5.222 6.315 -3.939 404 HE2 PHE 50 HE1 PHE 50 8.282 7.792 -6.583 405 HZ PHE 50 HZ PHE 50 6.576 8.197 -4.817 406 H GLU 51 H GLU 51 9.315 2.725 -8.727 407 HA GLU 51 HA GLU 51 8.313 4.740 -10.496 408 1HB GLU 51 1HB GLU 51 10.531 2.694 -10.905 409 2HB GLU 51 2HB GLU 51 10.226 4.078 -11.960 410 1HG GLU 51 1HG GLU 51 10.952 4.286 -8.998 411 2HG GLU 51 2HG GLU 51 12.059 4.514 -10.351 412 H GLU 52 H GLU 52 8.453 1.214 -10.862 413 HA GLU 52 HA GLU 52 7.384 1.047 -13.474 414 1HB GLU 52 1HB GLU 52 7.165 -0.907 -11.157 415 2HB GLU 52 2HB GLU 52 6.581 -1.252 -12.780 416 1HG GLU 52 1HG GLU 52 8.789 -1.075 -13.731 417 2HG GLU 52 2HG GLU 52 9.483 -0.524 -12.207 418 H LEU 53 H LEU 53 5.670 1.392 -10.366 419 HA LEU 53 HA LEU 53 3.057 1.277 -11.664 420 1HB LEU 53 1HB LEU 53 3.861 2.284 -8.911 421 2HB LEU 53 2HB LEU 53 2.231 1.980 -9.521 422 HG LEU 53 HG LEU 53 4.369 -0.110 -9.000 423 1HD1 LEU 53 3HD1 LEU 53 3.215 0.810 -7.010 424 2HD1 LEU 53 1HD1 LEU 53 1.653 0.345 -7.719 425 3HD1 LEU 53 2HD1 LEU 53 2.843 -0.899 -7.285 426 1HD2 LEU 53 3HD2 LEU 53 1.591 -0.503 -10.152 427 2HD2 LEU 53 1HD2 LEU 53 3.136 -0.816 -10.985 428 3HD2 LEU 53 2HD2 LEU 53 2.692 -1.791 -9.597 429 H ASP 54 H ASP 54 4.975 3.924 -10.257 430 HA ASP 54 HA ASP 54 3.179 5.972 -11.325 431 1HB ASP 54 1HB ASP 54 4.291 6.268 -9.165 432 2HB ASP 54 2HB ASP 54 5.876 6.152 -9.931 433 H LYS 55 H LYS 55 3.673 4.700 -13.533 434 HA LYS 55 HA LYS 55 6.009 5.235 -15.035 435 1HB LYS 55 1HB LYS 55 3.126 4.955 -15.946 436 2HB LYS 55 2HB LYS 55 4.517 4.950 -17.028 437 1HG LYS 55 1HG LYS 55 3.912 2.932 -14.824 438 2HG LYS 55 2HG LYS 55 3.778 2.688 -16.554 439 1HD LYS 55 1HD LYS 55 6.334 3.036 -14.943 440 2HD LYS 55 2HD LYS 55 5.772 1.596 -15.772 441 1HE LYS 55 1HE LYS 55 6.708 4.174 -17.118 442 2HE LYS 55 2HE LYS 55 7.565 2.633 -17.050 443 1HZ LYS 55 3HZ LYS 55 5.783 1.645 -18.300 444 2HZ LYS 55 1HZ LYS 55 4.990 3.089 -18.380 445 3HZ LYS 55 2HZ LYS 55 6.450 2.909 -19.122 446 H ASN 56 H ASN 56 3.180 7.213 -14.429 447 HA ASN 56 HA ASN 56 3.758 9.366 -16.267 448 1HB ASN 56 1HB ASN 56 2.066 10.575 -14.921 449 2HB ASN 56 2HB ASN 56 1.464 9.025 -15.479 450 1HD2 ASN 56 1HD2 ASN 56 1.088 9.761 -11.652 451 2HD2 ASN 56 2HD2 ASN 56 1.027 10.859 -13.038 452 H GLY 57 H GLY 57 5.181 8.424 -13.224 453 1HA GLY 57 1HA GLY 57 6.833 9.369 -12.011 454 2HA GLY 57 2HA GLY 57 7.134 10.406 -13.407 455 H ASP 58 H ASP 58 4.170 10.342 -11.288 456 HA ASP 58 HA ASP 58 4.428 13.216 -10.925 457 1HB ASP 58 1HB ASP 58 2.354 13.139 -9.909 458 2HB ASP 58 2HB ASP 58 2.261 12.093 -11.312 459 H GLY 59 H GLY 59 5.630 10.446 -9.233 460 1HA GLY 59 1HA GLY 59 7.274 10.672 -7.579 461 2HA GLY 59 2HA GLY 59 6.613 12.220 -7.052 462 H GLU 60 H GLU 60 4.105 9.968 -7.560 463 HA GLU 60 HA GLU 60 4.223 8.354 -5.152 464 1HB GLU 60 1HB GLU 60 2.096 10.514 -5.578 465 2HB GLU 60 2HB GLU 60 1.961 9.157 -4.451 466 1HG GLU 60 1HG GLU 60 4.095 10.050 -3.333 467 2HG GLU 60 2HG GLU 60 3.847 11.522 -4.290 468 H VAL 61 H VAL 61 2.064 7.016 -5.256 469 HA VAL 61 HA VAL 61 1.620 6.366 -8.168 470 HB VAL 61 HB VAL 61 1.291 4.538 -5.795 471 1HG1 VAL 61 3HG1 VAL 61 -0.072 4.019 -7.836 472 2HG1 VAL 61 1HG1 VAL 61 1.417 4.015 -8.796 473 3HG1 VAL 61 2HG1 VAL 61 1.166 2.797 -7.522 474 1HG2 VAL 61 3HG2 VAL 61 3.573 4.730 -7.834 475 2HG2 VAL 61 1HG2 VAL 61 3.713 5.069 -6.098 476 3HG2 VAL 61 2HG2 VAL 61 3.382 3.426 -6.673 477 H SER 62 H SER 62 -0.257 7.178 -8.855 478 HA SER 62 HA SER 62 -2.508 7.664 -7.089 479 1HB SER 62 1HB SER 62 -2.587 7.817 -10.097 480 2HB SER 62 2HB SER 62 -3.545 8.688 -8.900 481 HG SER 62 HG SER 62 -0.784 9.016 -9.522 482 H PHE 63 H PHE 63 -4.666 6.675 -7.358 483 HA PHE 63 HA PHE 63 -4.558 3.895 -7.366 484 1HB PHE 63 1HB PHE 63 -6.367 5.159 -6.318 485 2HB PHE 63 2HB PHE 63 -6.974 5.661 -7.901 486 HD1 PHE 63 HD1 PHE 63 -6.171 2.568 -5.918 487 HD2 PHE 63 HD2 PHE 63 -8.618 4.297 -9.012 488 HE1 PHE 63 HE1 PHE 63 -7.481 0.477 -6.040 489 HE2 PHE 63 HE2 PHE 63 -9.924 2.193 -9.139 490 HZ PHE 63 HZ PHE 63 -9.385 0.291 -7.610 491 H GLU 64 H GLU 64 -5.056 5.947 -10.169 492 HA GLU 64 HA GLU 64 -6.118 3.870 -11.845 493 1HB GLU 64 1HB GLU 64 -4.677 6.478 -12.597 494 2HB GLU 64 2HB GLU 64 -5.574 5.429 -13.694 495 1HG GLU 64 1HG GLU 64 -6.993 7.278 -13.104 496 2HG GLU 64 2HG GLU 64 -7.652 5.810 -12.374 497 H GLU 65 H GLU 65 -2.842 5.408 -11.889 498 HA GLU 65 HA GLU 65 -1.679 3.370 -13.481 499 1HB GLU 65 1HB GLU 65 0.464 4.342 -12.807 500 2HB GLU 65 2HB GLU 65 -0.706 5.519 -13.365 501 1HG GLU 65 1HG GLU 65 -1.151 5.397 -10.581 502 2HG GLU 65 2HG GLU 65 0.570 5.203 -10.696 503 H PHE 66 H PHE 66 -2.069 3.546 -9.904 504 HA PHE 66 HA PHE 66 -0.621 1.292 -9.126 505 1HB PHE 66 1HB PHE 66 -1.727 2.540 -7.470 506 2HB PHE 66 2HB PHE 66 -3.241 2.457 -8.339 507 HD1 PHE 66 HD1 PHE 66 -0.947 0.347 -6.250 508 HD2 PHE 66 HD2 PHE 66 -4.882 0.933 -7.872 509 HE1 PHE 66 HE1 PHE 66 -1.837 -1.455 -4.784 510 HE2 PHE 66 HE2 PHE 66 -5.720 -1.031 -6.628 511 HZ PHE 66 HZ PHE 66 -4.206 -2.179 -4.988 512 H GLN 67 H GLN 67 -3.603 1.297 -11.144 513 HA GLN 67 HA GLN 67 -4.204 -1.451 -10.830 514 1HB GLN 67 1HB GLN 67 -4.506 0.174 -13.385 515 2HB GLN 67 2HB GLN 67 -5.241 -1.387 -13.028 516 1HG GLN 67 1HG GLN 67 -5.948 1.283 -11.808 517 2HG GLN 67 2HG GLN 67 -6.959 0.163 -12.707 518 1HE2 GLN 67 1HE2 GLN 67 -6.818 -0.012 -8.696 519 2HE2 GLN 67 2HE2 GLN 67 -6.178 1.309 -9.651 520 H VAL 68 H VAL 68 -1.391 -0.053 -12.409 521 HA VAL 68 HA VAL 68 -0.665 -2.273 -14.047 522 HB VAL 68 HB VAL 68 1.026 -0.268 -12.511 523 1HG1 VAL 68 1HG1 VAL 68 1.876 -2.287 -14.632 524 2HG1 VAL 68 2HG1 VAL 68 2.866 -0.928 -14.057 525 3HG1 VAL 68 3HG1 VAL 68 2.435 -2.228 -12.945 526 1HG2 VAL 68 1HG2 VAL 68 -0.441 0.657 -14.347 527 2HG2 VAL 68 2HG2 VAL 68 1.285 0.797 -14.704 528 3HG2 VAL 68 3HG2 VAL 68 0.318 -0.477 -15.475 529 H LEU 69 H LEU 69 -0.518 -1.794 -10.504 530 HA LEU 69 HA LEU 69 1.133 -4.133 -10.042 531 1HB LEU 69 1HB LEU 69 0.813 -2.178 -8.402 532 2HB LEU 69 2HB LEU 69 -0.830 -2.749 -8.156 533 HG LEU 69 HG LEU 69 0.148 -4.986 -7.400 534 1HD1 LEU 69 1HD1 LEU 69 2.724 -3.348 -7.388 535 2HD1 LEU 69 2HD1 LEU 69 2.512 -4.914 -6.590 536 3HD1 LEU 69 3HD1 LEU 69 2.422 -4.812 -8.350 537 1HD2 LEU 69 3HD2 LEU 69 0.838 -2.473 -5.828 538 2HD2 LEU 69 1HD2 LEU 69 -0.716 -3.340 -5.827 539 3HD2 LEU 69 2HD2 LEU 69 0.726 -4.116 -5.158 540 H VAL 70 H VAL 70 -2.339 -3.314 -9.977 541 HA VAL 70 HA VAL 70 -3.322 -5.841 -9.170 542 HB VAL 70 HB VAL 70 -4.711 -3.800 -10.974 543 1HG1 VAL 70 1HG1 VAL 70 -5.781 -5.959 -9.113 544 2HG1 VAL 70 2HG1 VAL 70 -6.766 -4.714 -9.917 545 3HG1 VAL 70 3HG1 VAL 70 -5.911 -5.922 -10.878 546 1HG2 VAL 70 3HG2 VAL 70 -4.383 -3.959 -7.956 547 2HG2 VAL 70 1HG2 VAL 70 -3.925 -2.613 -8.979 548 3HG2 VAL 70 2HG2 VAL 70 -5.635 -2.969 -8.743 549 H LYS 71 H LYS 71 -2.554 -4.566 -12.407 550 HA LYS 71 HA LYS 71 -3.236 -6.852 -13.958 551 1HB LYS 71 1HB LYS 71 -2.809 -4.781 -15.009 552 2HB LYS 71 2HB LYS 71 -1.191 -4.648 -14.319 553 1HG LYS 71 1HG LYS 71 -0.410 -6.579 -15.573 554 2HG LYS 71 2HG LYS 71 -2.014 -6.813 -16.292 555 1HD LYS 71 1HD LYS 71 -0.217 -4.355 -16.632 556 2HD LYS 71 2HD LYS 71 -0.391 -5.676 -17.799 557 1HE LYS 71 1HE LYS 71 -2.852 -5.136 -17.977 558 2HE LYS 71 2HE LYS 71 -2.572 -3.712 -16.950 559 1HZ LYS 71 3HZ LYS 71 -1.038 -2.907 -18.576 560 2HZ LYS 71 1HZ LYS 71 -1.299 -4.220 -19.538 561 3HZ LYS 71 2HZ LYS 71 -2.523 -3.156 -19.245 562 H LYS 72 H LYS 72 -0.077 -5.958 -12.579 563 HA LYS 72 HA LYS 72 1.230 -8.389 -13.093 564 1HB LYS 72 1HB LYS 72 1.636 -6.225 -11.055 565 2HB LYS 72 2HB LYS 72 2.366 -7.791 -10.715 566 1HG LYS 72 1HG LYS 72 4.003 -6.500 -11.827 567 2HG LYS 72 2HG LYS 72 3.482 -7.792 -12.915 568 1HD LYS 72 1HD LYS 72 2.001 -6.105 -14.103 569 2HD LYS 72 2HD LYS 72 2.591 -4.870 -12.981 570 1HE LYS 72 1HE LYS 72 3.795 -4.682 -15.076 571 2HE LYS 72 2HE LYS 72 4.909 -5.194 -13.797 572 1HZ LYS 72 1HZ LYS 72 3.645 -6.964 -15.778 573 2HZ LYS 72 2HZ LYS 72 5.202 -6.428 -15.821 574 3HZ LYS 72 3HZ LYS 72 4.713 -7.431 -14.612 575 H ILE 73 H ILE 73 -0.958 -7.715 -10.377 576 HA ILE 73 HA ILE 73 -0.662 -10.329 -9.193 577 HB ILE 73 HB ILE 73 -3.077 -8.481 -9.059 578 1HG1 ILE 73 1HG1 ILE 73 -0.759 -8.921 -7.133 579 2HG1 ILE 73 2HG1 ILE 73 -0.997 -7.490 -8.134 580 1HG2 ILE 73 3HG2 ILE 73 -3.641 -10.863 -8.519 581 2HG2 ILE 73 1HG2 ILE 73 -2.338 -10.870 -7.313 582 3HG2 ILE 73 2HG2 ILE 73 -3.756 -9.819 -7.116 583 1HD1 ILE 73 3HD1 ILE 73 -3.209 -7.099 -6.975 584 2HD1 ILE 73 1HD1 ILE 73 -2.722 -8.348 -5.800 585 3HD1 ILE 73 2HD1 ILE 73 -1.756 -6.881 -5.985 586 H SER 74 H SER 74 -3.197 -9.079 -11.337 587 HA SER 74 HA SER 74 -3.377 -11.327 -13.058 588 1HB SER 74 1HB SER 74 -5.262 -11.299 -10.680 589 2HB SER 74 2HB SER 74 -5.777 -11.997 -12.226 590 HG SER 74 HG SER 74 -3.376 -12.816 -11.004 591 H GLN 75 H GLN 75 -5.235 -8.749 -11.480 592 HA GLN 75 HA GLN 75 -7.127 -7.623 -12.125 593 1HB GLN 75 1HB GLN 75 -5.263 -6.334 -13.114 594 2HB GLN 75 2HB GLN 75 -5.463 -7.214 -14.644 595 1HG GLN 75 1HG GLN 75 -7.726 -6.237 -14.886 596 2HG GLN 75 2HG GLN 75 -7.596 -5.506 -13.278 597 1HE2 GLN 75 1HE2 GLN 75 -5.247 -3.910 -16.288 598 2HE2 GLN 75 2HE2 GLN 75 -5.565 -5.639 -16.294 No H/Q in entry = 598 Start of MODEL 15 Raw file had 599 H/Q atoms Start of MODEL 15 1 1H LYS 1 1H LYS 1 -8.554 -11.062 -4.345 2 2H LYS 1 2H LYS 1 -7.260 -10.072 -4.763 3 3H LYS 1 3H LYS 1 -7.404 -10.648 -3.190 4 HA LYS 1 HA LYS 1 -9.403 -9.421 -2.868 5 1HB LYS 1 1HB LYS 1 -7.122 -7.768 -3.999 6 2HB LYS 1 2HB LYS 1 -8.382 -7.166 -2.911 7 1HG LYS 1 1HG LYS 1 -6.338 -9.334 -2.197 8 2HG LYS 1 2HG LYS 1 -6.144 -7.614 -1.851 9 1HD LYS 1 1HD LYS 1 -8.249 -7.656 -0.494 10 2HD LYS 1 2HD LYS 1 -8.343 -9.414 -0.743 11 1HE LYS 1 1HE LYS 1 -6.153 -9.711 0.358 12 2HE LYS 1 2HE LYS 1 -5.972 -7.957 0.526 13 1HZ LYS 1 3HZ LYS 1 -7.892 -7.938 1.928 14 2HZ LYS 1 1HZ LYS 1 -8.063 -9.574 1.795 15 3HZ LYS 1 2HZ LYS 1 -6.732 -8.935 2.532 16 H SER 2 H SER 2 -11.140 -8.276 -3.779 17 HA SER 2 HA SER 2 -11.424 -8.330 -6.674 18 1HB SER 2 1HB SER 2 -13.607 -7.267 -6.201 19 2HB SER 2 2HB SER 2 -13.343 -8.668 -5.152 20 HG SER 2 HG SER 2 -14.055 -6.929 -3.910 21 HA PRO 3 HA PRO 3 -9.842 -4.181 -7.540 22 1HB PRO 3 1HB PRO 3 -12.580 -3.708 -8.759 23 2HB PRO 3 2HB PRO 3 -10.983 -3.228 -9.400 24 1HG PRO 3 1HG PRO 3 -12.197 -5.439 -10.384 25 2HG PRO 3 2HG PRO 3 -10.461 -5.511 -9.961 26 1HD PRO 3 1HD PRO 3 -12.814 -6.497 -8.338 27 2HD PRO 3 2HD PRO 3 -11.246 -7.295 -8.666 28 H GLU 4 H GLU 4 -13.173 -4.541 -6.282 29 HA GLU 4 HA GLU 4 -13.433 -1.973 -5.095 30 1HB GLU 4 1HB GLU 4 -14.675 -4.639 -4.290 31 2HB GLU 4 2HB GLU 4 -15.220 -3.046 -3.757 32 1HG GLU 4 1HG GLU 4 -15.816 -2.416 -6.045 33 2HG GLU 4 2HG GLU 4 -15.188 -3.942 -6.683 34 H GLU 5 H GLU 5 -12.233 -5.069 -3.803 35 HA GLU 5 HA GLU 5 -11.743 -4.057 -1.130 36 1HB GLU 5 1HB GLU 5 -10.649 -6.418 -2.698 37 2HB GLU 5 2HB GLU 5 -10.089 -6.036 -1.068 38 1HG GLU 5 1HG GLU 5 -13.030 -6.491 -1.724 39 2HG GLU 5 2HG GLU 5 -11.933 -7.772 -1.189 40 H LEU 6 H LEU 6 -9.769 -4.398 -4.053 41 HA LEU 6 HA LEU 6 -7.365 -3.334 -2.976 42 1HB LEU 6 1HB LEU 6 -8.486 -3.417 -5.799 43 2HB LEU 6 2HB LEU 6 -6.887 -2.847 -5.407 44 HG LEU 6 HG LEU 6 -7.953 -5.660 -4.859 45 1HD1 LEU 6 3HD1 LEU 6 -7.353 -5.157 -7.242 46 2HD1 LEU 6 1HD1 LEU 6 -5.711 -4.757 -6.664 47 3HD1 LEU 6 2HD1 LEU 6 -6.332 -6.404 -6.487 48 1HD2 LEU 6 3HD2 LEU 6 -5.303 -4.356 -4.134 49 2HD2 LEU 6 1HD2 LEU 6 -6.403 -5.284 -3.083 50 3HD2 LEU 6 2HD2 LEU 6 -5.481 -6.100 -4.338 51 H LYS 7 H LYS 7 -10.113 -1.650 -4.522 52 HA LYS 7 HA LYS 7 -8.972 0.939 -4.260 53 1HB LYS 7 1HB LYS 7 -11.038 0.370 -5.555 54 2HB LYS 7 2HB LYS 7 -11.915 0.127 -4.060 55 1HG LYS 7 1HG LYS 7 -12.412 2.295 -5.051 56 2HG LYS 7 2HG LYS 7 -11.729 2.454 -3.432 57 1HD LYS 7 1HD LYS 7 -9.546 3.100 -4.342 58 2HD LYS 7 2HD LYS 7 -10.099 2.788 -5.994 59 1HE LYS 7 1HE LYS 7 -11.277 4.904 -4.136 60 2HE LYS 7 2HE LYS 7 -10.039 5.203 -5.365 61 1HZ LYS 7 3HZ LYS 7 -11.578 4.438 -7.022 62 2HZ LYS 7 1HZ LYS 7 -12.747 4.203 -5.883 63 3HZ LYS 7 2HZ LYS 7 -12.187 5.722 -6.186 64 H GLY 8 H GLY 8 -11.002 -0.937 -2.053 65 1HA GLY 8 1HA GLY 8 -11.317 0.951 0.037 66 2HA GLY 8 2HA GLY 8 -11.286 -0.810 0.259 67 H ILE 9 H ILE 9 -8.867 -1.573 -0.351 68 HA ILE 9 HA ILE 9 -7.023 -0.965 1.727 69 HB ILE 9 HB ILE 9 -6.808 -2.229 -1.020 70 1HG1 ILE 9 1HG1 ILE 9 -6.831 -3.375 1.813 71 2HG1 ILE 9 2HG1 ILE 9 -8.239 -3.306 0.746 72 1HG2 ILE 9 3HG2 ILE 9 -4.582 -1.330 -0.375 73 2HG2 ILE 9 1HG2 ILE 9 -4.683 -2.258 1.135 74 3HG2 ILE 9 2HG2 ILE 9 -4.613 -3.079 -0.438 75 1HD1 ILE 9 3HD1 ILE 9 -7.078 -4.729 -0.902 76 2HD1 ILE 9 1HD1 ILE 9 -5.692 -4.867 0.205 77 3HD1 ILE 9 2HD1 ILE 9 -7.269 -5.519 0.678 78 H PHE 10 H PHE 10 -7.004 0.106 -1.732 79 HA PHE 10 HA PHE 10 -4.712 1.662 -1.604 80 1HB PHE 10 1HB PHE 10 -5.969 1.078 -3.680 81 2HB PHE 10 2HB PHE 10 -7.246 2.163 -3.212 82 HD1 PHE 10 HD1 PHE 10 -6.884 4.630 -3.069 83 HD2 PHE 10 HD2 PHE 10 -3.868 1.946 -4.608 84 HE1 PHE 10 HE1 PHE 10 -5.599 6.528 -3.868 85 HE2 PHE 10 HE2 PHE 10 -2.603 3.909 -5.489 86 HZ PHE 10 HZ PHE 10 -3.407 6.192 -5.018 87 H GLU 11 H GLU 11 -8.088 2.610 -0.868 88 HA GLU 11 HA GLU 11 -7.486 5.341 -0.208 89 1HB GLU 11 1HB GLU 11 -9.824 3.530 0.518 90 2HB GLU 11 2HB GLU 11 -9.746 5.258 0.905 91 1HG GLU 11 1HG GLU 11 -9.574 5.854 -1.455 92 2HG GLU 11 2HG GLU 11 -9.515 4.156 -1.934 93 H LYS 12 H LYS 12 -8.022 2.434 1.835 94 HA LYS 12 HA LYS 12 -7.677 3.442 4.395 95 1HB LYS 12 1HB LYS 12 -8.274 1.176 4.147 96 2HB LYS 12 2HB LYS 12 -6.902 0.811 3.095 97 1HG LYS 12 1HG LYS 12 -5.321 0.841 4.812 98 2HG LYS 12 2HG LYS 12 -6.485 1.538 5.983 99 1HD LYS 12 1HD LYS 12 -7.848 -0.557 5.808 100 2HD LYS 12 2HD LYS 12 -6.699 -1.196 4.623 101 1HE LYS 12 1HE LYS 12 -6.233 -2.177 6.799 102 2HE LYS 12 2HE LYS 12 -4.889 -1.127 6.336 103 1HZ LYS 12 1HZ LYS 12 -7.066 -0.402 8.171 104 2HZ LYS 12 2HZ LYS 12 -5.537 -0.828 8.610 105 3HZ LYS 12 3HZ LYS 12 -5.792 0.560 7.763 106 H TYR 13 H TYR 13 -5.102 2.354 2.159 107 HA TYR 13 HA TYR 13 -3.022 3.142 4.059 108 1HB TYR 13 1HB TYR 13 -3.009 1.948 1.293 109 2HB TYR 13 2HB TYR 13 -1.536 2.445 2.131 110 HD1 TYR 13 HD1 TYR 13 -1.046 1.557 4.419 111 HD2 TYR 13 HD2 TYR 13 -4.209 -0.167 2.068 112 HE1 TYR 13 HE1 TYR 13 -1.068 -0.482 5.872 113 HE2 TYR 13 HE2 TYR 13 -4.119 -2.208 3.369 114 HH TYR 13 HH TYR 13 -1.857 -2.723 6.046 115 H ALA 14 H ALA 14 -4.183 4.437 0.947 116 HA ALA 14 HA ALA 14 -2.371 6.596 0.707 117 1HB ALA 14 1HB ALA 14 -5.271 6.391 -0.166 118 2HB ALA 14 2HB ALA 14 -4.108 7.591 -0.755 119 3HB ALA 14 3HB ALA 14 -3.855 5.880 -1.115 120 H ALA 15 H ALA 15 -5.395 6.413 2.536 121 HA ALA 15 HA ALA 15 -5.685 9.057 3.350 122 1HB ALA 15 3HB ALA 15 -7.259 7.249 3.955 123 2HB ALA 15 1HB ALA 15 -6.038 6.551 5.051 124 3HB ALA 15 2HB ALA 15 -6.730 8.146 5.395 125 H LYS 16 H LYS 16 -3.215 6.687 4.400 126 HA LYS 16 HA LYS 16 -2.397 8.217 6.711 127 1HB LYS 16 1HB LYS 16 -0.900 6.038 5.235 128 2HB LYS 16 2HB LYS 16 -0.581 6.622 6.868 129 1HG LYS 16 1HG LYS 16 -2.808 5.807 7.604 130 2HG LYS 16 2HG LYS 16 -3.155 5.227 5.965 131 1HD LYS 16 1HD LYS 16 -1.161 3.741 6.067 132 2HD LYS 16 2HD LYS 16 -0.897 4.241 7.751 133 1HE LYS 16 1HE LYS 16 -3.172 3.390 8.342 134 2HE LYS 16 2HE LYS 16 -3.420 2.891 6.658 135 1HZ LYS 16 3HZ LYS 16 -1.557 1.415 6.892 136 2HZ LYS 16 1HZ LYS 16 -1.341 1.868 8.462 137 3HZ LYS 16 2HZ LYS 16 -2.715 1.076 8.013 138 H GLU 17 H GLU 17 -1.626 8.240 3.260 139 HA GLU 17 HA GLU 17 0.778 9.904 3.487 140 1HB GLU 17 1HB GLU 17 0.228 8.585 1.391 141 2HB GLU 17 2HB GLU 17 -1.194 9.607 1.163 142 1HG GLU 17 1HG GLU 17 0.400 11.622 1.159 143 2HG GLU 17 2HG GLU 17 1.712 10.448 1.034 144 H GLY 18 H GLY 18 -2.686 10.248 2.924 145 1HA GLY 18 1HA GLY 18 -3.674 12.111 4.420 146 2HA GLY 18 2HA GLY 18 -2.622 13.197 3.490 147 H ASP 19 H ASP 19 -2.703 12.364 0.974 148 HA ASP 19 HA ASP 19 -5.368 13.071 0.091 149 1HB ASP 19 1HB ASP 19 -3.482 13.896 -1.153 150 2HB ASP 19 2HB ASP 19 -2.864 12.255 -1.404 151 HA PRO 20 HA PRO 20 -6.417 8.610 0.443 152 1HB PRO 20 1HB PRO 20 -8.949 8.753 -0.683 153 2HB PRO 20 2HB PRO 20 -8.577 9.084 1.043 154 1HG PRO 20 1HG PRO 20 -8.909 11.031 -1.250 155 2HG PRO 20 2HG PRO 20 -9.582 11.160 0.402 156 1HD PRO 20 1HD PRO 20 -7.380 12.502 -0.314 157 2HD PRO 20 2HD PRO 20 -7.462 11.738 1.301 158 H ASN 21 H ASN 21 -6.457 10.625 -2.433 159 HA ASN 21 HA ASN 21 -6.943 8.492 -4.331 160 1HB ASN 21 1HB ASN 21 -5.932 11.322 -4.748 161 2HB ASN 21 2HB ASN 21 -6.573 10.234 -5.972 162 1HD2 ASN 21 1HD2 ASN 21 -9.111 12.421 -3.674 163 2HD2 ASN 21 2HD2 ASN 21 -7.370 12.468 -3.406 164 H GLN 22 H GLN 22 -4.112 9.270 -2.524 165 HA GLN 22 HA GLN 22 -2.352 8.215 -4.690 166 1HB GLN 22 1HB GLN 22 -2.615 10.647 -4.844 167 2HB GLN 22 2HB GLN 22 -1.995 10.829 -3.203 168 1HG GLN 22 1HG GLN 22 0.193 10.081 -3.895 169 2HG GLN 22 2HG GLN 22 -0.431 9.447 -5.432 170 1HE2 GLN 22 1HE2 GLN 22 0.654 13.343 -5.264 171 2HE2 GLN 22 2HE2 GLN 22 0.939 12.260 -3.910 172 H LEU 23 H LEU 23 -0.790 6.830 -4.028 173 HA LEU 23 HA LEU 23 -0.269 6.451 -1.136 174 1HB LEU 23 1HB LEU 23 0.303 4.766 -3.588 175 2HB LEU 23 2HB LEU 23 0.787 4.391 -1.953 176 HG LEU 23 HG LEU 23 -2.131 4.711 -2.728 177 1HD1 LEU 23 3HD1 LEU 23 -1.037 2.897 -4.063 178 2HD1 LEU 23 1HD1 LEU 23 -0.405 2.205 -2.559 179 3HD1 LEU 23 2HD1 LEU 23 -2.152 2.224 -2.849 180 1HD2 LEU 23 1HD2 LEU 23 -1.527 4.794 -0.273 181 2HD2 LEU 23 2HD2 LEU 23 -2.562 3.425 -0.711 182 3HD2 LEU 23 3HD2 LEU 23 -0.829 3.172 -0.435 183 H SER 24 H SER 24 1.722 7.004 -0.340 184 HA SER 24 HA SER 24 3.934 7.859 -2.047 185 1HB SER 24 1HB SER 24 5.049 8.252 0.076 186 2HB SER 24 2HB SER 24 3.383 8.819 0.232 187 HG SER 24 HG SER 24 3.389 7.515 1.912 188 H LYS 25 H LYS 25 6.161 6.741 -1.446 189 HA LYS 25 HA LYS 25 6.143 3.979 -2.068 190 1HB LYS 25 1HB LYS 25 8.183 5.699 -0.538 191 2HB LYS 25 2HB LYS 25 8.470 4.016 -0.994 192 1HG LYS 25 1HG LYS 25 8.197 4.583 -3.369 193 2HG LYS 25 2HG LYS 25 7.986 6.295 -2.937 194 1HD LYS 25 1HD LYS 25 10.250 6.305 -1.914 195 2HD LYS 25 2HD LYS 25 10.450 4.591 -2.336 196 1HE LYS 25 1HE LYS 25 10.210 5.146 -4.744 197 2HE LYS 25 2HE LYS 25 9.994 6.857 -4.334 198 1HZ LYS 25 3HZ LYS 25 12.196 6.832 -3.393 199 2HZ LYS 25 1HZ LYS 25 12.399 5.248 -3.806 200 3HZ LYS 25 2HZ LYS 25 12.223 6.390 -4.979 201 H GLU 26 H GLU 26 6.181 5.701 1.064 202 HA GLU 26 HA GLU 26 6.522 3.325 2.620 203 1HB GLU 26 1HB GLU 26 7.026 5.730 3.336 204 2HB GLU 26 2HB GLU 26 5.278 5.978 3.489 205 1HG GLU 26 1HG GLU 26 6.244 5.468 5.634 206 2HG GLU 26 2HG GLU 26 5.184 4.140 5.178 207 H GLU 27 H GLU 27 3.656 5.219 1.742 208 HA GLU 27 HA GLU 27 1.810 3.477 3.084 209 1HB GLU 27 1HB GLU 27 1.532 5.458 0.837 210 2HB GLU 27 2HB GLU 27 0.210 4.352 1.226 211 1HG GLU 27 1HG GLU 27 -0.104 6.437 2.443 212 2HG GLU 27 2HG GLU 27 0.115 5.046 3.506 213 H LEU 28 H LEU 28 3.108 3.291 -0.344 214 HA LEU 28 HA LEU 28 1.812 0.808 -0.868 215 1HB LEU 28 1HB LEU 28 4.394 2.072 -1.840 216 2HB LEU 28 2HB LEU 28 3.974 0.423 -2.331 217 HG LEU 28 HG LEU 28 1.984 2.636 -2.514 218 1HD1 LEU 28 1HD1 LEU 28 4.150 1.964 -4.527 219 2HD1 LEU 28 2HD1 LEU 28 2.689 2.897 -4.922 220 3HD1 LEU 28 3HD1 LEU 28 3.824 3.525 -3.711 221 1HD2 LEU 28 1HD2 LEU 28 1.181 0.260 -2.910 222 2HD2 LEU 28 2HD2 LEU 28 1.067 1.221 -4.390 223 3HD2 LEU 28 3HD2 LEU 28 2.407 0.083 -4.175 224 H LYS 29 H LYS 29 4.872 1.403 0.856 225 HA LYS 29 HA LYS 29 5.508 -1.382 0.934 226 1HB LYS 29 1HB LYS 29 6.998 0.611 1.570 227 2HB LYS 29 2HB LYS 29 6.087 0.773 3.043 228 1HG LYS 29 1HG LYS 29 6.726 -1.590 3.677 229 2HG LYS 29 2HG LYS 29 7.732 -1.671 2.218 230 1HD LYS 29 1HD LYS 29 9.077 0.251 3.054 231 2HD LYS 29 2HD LYS 29 8.064 0.342 4.502 232 1HE LYS 29 1HE LYS 29 9.773 -2.065 3.697 233 2HE LYS 29 2HE LYS 29 10.208 -0.851 4.909 234 1HZ LYS 29 3HZ LYS 29 8.269 -1.496 6.160 235 2HZ LYS 29 1HZ LYS 29 7.904 -2.669 5.064 236 3HZ LYS 29 2HZ LYS 29 9.290 -2.767 5.937 237 H LEU 30 H LEU 30 3.827 0.673 3.281 238 HA LEU 30 HA LEU 30 3.126 -1.430 5.076 239 1HB LEU 30 1HB LEU 30 2.028 1.328 4.525 240 2HB LEU 30 2HB LEU 30 1.047 0.214 5.474 241 HG LEU 30 HG LEU 30 2.788 -0.111 7.118 242 1HD1 LEU 30 1HD1 LEU 30 4.396 1.916 5.517 243 2HD1 LEU 30 2HD1 LEU 30 4.813 1.325 7.135 244 3HD1 LEU 30 3HD1 LEU 30 4.829 0.211 5.763 245 1HD2 LEU 30 1HD2 LEU 30 1.146 1.718 7.389 246 2HD2 LEU 30 2HD2 LEU 30 2.708 2.148 8.105 247 3HD2 LEU 30 3HD2 LEU 30 2.235 2.832 6.536 248 H LEU 31 H LEU 31 1.260 -0.169 2.345 249 HA LEU 31 HA LEU 31 -0.967 -1.874 2.473 250 1HB LEU 31 1HB LEU 31 -0.659 0.054 0.972 251 2HB LEU 31 2HB LEU 31 0.484 -0.851 -0.006 252 HG LEU 31 HG LEU 31 -2.383 -1.726 0.425 253 1HD1 LEU 31 1HD1 LEU 31 -1.188 -0.007 -1.795 254 2HD1 LEU 31 2HD1 LEU 31 -2.842 -0.641 -1.795 255 3HD1 LEU 31 3HD1 LEU 31 -2.353 0.537 -0.568 256 1HD2 LEU 31 3HD2 LEU 31 -0.300 -2.460 -1.685 257 2HD2 LEU 31 1HD2 LEU 31 -1.086 -3.560 -0.529 258 3HD2 LEU 31 2HD2 LEU 31 -2.025 -2.843 -1.829 259 H LEU 32 H LEU 32 2.075 -2.365 0.734 260 HA LEU 32 HA LEU 32 1.455 -4.978 -0.263 261 1HB LEU 32 1HB LEU 32 4.100 -3.562 0.324 262 2HB LEU 32 2HB LEU 32 4.013 -5.121 -0.494 263 HG LEU 32 HG LEU 32 2.501 -2.737 -1.609 264 1HD1 LEU 32 3HD1 LEU 32 4.916 -2.094 -1.350 265 2HD1 LEU 32 1HD1 LEU 32 5.372 -3.544 -2.266 266 3HD1 LEU 32 2HD1 LEU 32 4.415 -2.257 -3.038 267 1HD2 LEU 32 3HD2 LEU 32 3.670 -5.279 -2.811 268 2HD2 LEU 32 1HD2 LEU 32 1.944 -4.972 -2.497 269 3HD2 LEU 32 2HD2 LEU 32 2.815 -4.009 -3.705 270 H GLN 33 H GLN 33 3.309 -3.918 2.618 271 HA GLN 33 HA GLN 33 4.104 -6.443 3.523 272 1HB GLN 33 1HB GLN 33 4.956 -4.213 4.290 273 2HB GLN 33 2HB GLN 33 3.455 -3.975 5.197 274 1HG GLN 33 1HG GLN 33 4.024 -5.964 6.591 275 2HG GLN 33 2HG GLN 33 5.472 -6.229 5.604 276 1HE2 GLN 33 1HE2 GLN 33 5.399 -3.120 8.319 277 2HE2 GLN 33 2HE2 GLN 33 3.895 -3.867 7.814 278 H THR 34 H THR 34 1.154 -4.605 4.256 279 HA THR 34 HA THR 34 0.230 -6.629 6.141 280 HB THR 34 HB THR 34 -1.587 -4.614 4.837 281 HG1 THR 34 HG1 THR 34 0.308 -3.498 5.560 282 1HG2 THR 34 3HG2 THR 34 -2.537 -6.304 6.417 283 2HG2 THR 34 1HG2 THR 34 -1.412 -5.741 7.669 284 3HG2 THR 34 2HG2 THR 34 -2.677 -4.662 7.058 285 H GLU 35 H GLU 35 -0.747 -5.680 2.780 286 HA GLU 35 HA GLU 35 -2.807 -7.755 2.789 287 1HB GLU 35 1HB GLU 35 -2.096 -5.502 0.850 288 2HB GLU 35 2HB GLU 35 -3.487 -6.577 0.718 289 1HG GLU 35 1HG GLU 35 -2.844 -4.560 2.931 290 2HG GLU 35 2HG GLU 35 -4.093 -4.417 1.715 291 H PHE 36 H PHE 36 0.384 -7.301 1.396 292 HA PHE 36 HA PHE 36 0.137 -9.872 -0.046 293 1HB PHE 36 1HB PHE 36 0.944 -7.218 -1.317 294 2HB PHE 36 2HB PHE 36 1.059 -8.794 -2.070 295 HD1 PHE 36 HD1 PHE 36 -1.130 -10.233 -2.212 296 HD2 PHE 36 HD2 PHE 36 -1.021 -5.944 -1.779 297 HE1 PHE 36 HE1 PHE 36 -3.271 -10.063 -3.453 298 HE2 PHE 36 HE2 PHE 36 -3.139 -5.782 -3.149 299 HZ PHE 36 HZ PHE 36 -4.238 -7.863 -3.956 300 HA PRO 37 HA PRO 37 4.223 -8.861 2.082 301 1HB PRO 37 1HB PRO 37 4.389 -11.115 3.680 302 2HB PRO 37 2HB PRO 37 3.605 -9.588 4.162 303 1HG PRO 37 1HG PRO 37 2.285 -12.073 3.061 304 2HG PRO 37 2HG PRO 37 1.775 -11.080 4.458 305 1HD PRO 37 1HD PRO 37 0.635 -10.809 2.007 306 2HD PRO 37 2HD PRO 37 0.910 -9.379 3.027 307 H SER 38 H SER 38 2.826 -11.818 0.652 308 HA SER 38 HA SER 38 5.174 -13.275 0.153 309 1HB SER 38 1HB SER 38 2.716 -13.232 -1.639 310 2HB SER 38 2HB SER 38 3.736 -14.610 -1.189 311 HG SER 38 HG SER 38 2.907 -14.373 0.956 312 H LEU 39 H LEU 39 3.538 -10.654 -1.571 313 HA LEU 39 HA LEU 39 5.283 -10.811 -3.930 314 1HB LEU 39 1HB LEU 39 3.033 -9.019 -3.018 315 2HB LEU 39 2HB LEU 39 3.922 -8.728 -4.527 316 HG LEU 39 HG LEU 39 2.297 -11.232 -3.874 317 1HD1 LEU 39 1HD1 LEU 39 1.779 -8.902 -5.768 318 2HD1 LEU 39 2HD1 LEU 39 0.765 -10.358 -5.631 319 3HD1 LEU 39 3HD1 LEU 39 0.885 -9.233 -4.274 320 1HD2 LEU 39 3HD2 LEU 39 3.801 -10.409 -6.400 321 2HD2 LEU 39 1HD2 LEU 39 4.084 -11.863 -5.415 322 3HD2 LEU 39 2HD2 LEU 39 2.593 -11.708 -6.338 323 H LEU 40 H LEU 40 4.821 -8.792 -1.041 324 HA LEU 40 HA LEU 40 6.723 -6.818 -1.678 325 1HB LEU 40 1HB LEU 40 5.264 -6.747 0.350 326 2HB LEU 40 2HB LEU 40 6.218 -8.044 1.063 327 HG LEU 40 HG LEU 40 8.216 -6.643 1.143 328 1HD1 LEU 40 1HD1 LEU 40 6.469 -4.483 -0.124 329 2HD1 LEU 40 2HD1 LEU 40 8.037 -4.185 0.652 330 3HD1 LEU 40 3HD1 LEU 40 7.960 -5.178 -0.802 331 1HD2 LEU 40 1HD2 LEU 40 6.570 -6.585 3.009 332 2HD2 LEU 40 2HD2 LEU 40 7.465 -5.063 2.845 333 3HD2 LEU 40 3HD2 LEU 40 5.800 -5.173 2.244 334 H LYS 41 H LYS 41 7.181 -10.019 -0.216 335 HA LYS 41 HA LYS 41 10.082 -9.911 -0.213 336 1HB LYS 41 1HB LYS 41 8.065 -12.190 -0.053 337 2HB LYS 41 2HB LYS 41 9.815 -12.380 0.121 338 1HG LYS 41 1HG LYS 41 9.824 -10.880 2.064 339 2HG LYS 41 2HG LYS 41 8.083 -10.592 1.888 340 1HD LYS 41 1HD LYS 41 7.653 -13.032 2.190 341 2HD LYS 41 2HD LYS 41 9.381 -13.294 2.479 342 1HE LYS 41 1HE LYS 41 7.524 -11.522 4.148 343 2HE LYS 41 2HE LYS 41 8.075 -13.146 4.589 344 1HZ LYS 41 3HZ LYS 41 10.320 -12.319 4.595 345 2HZ LYS 41 1HZ LYS 41 9.800 -10.800 4.220 346 3HZ LYS 41 2HZ LYS 41 9.376 -11.484 5.656 347 H GLY 42 H GLY 42 7.823 -11.846 -2.171 348 1HA GLY 42 1HA GLY 42 9.869 -12.464 -4.162 349 2HA GLY 42 2HA GLY 42 8.182 -12.998 -4.127 350 H GLY 43 H GLY 43 10.039 -9.905 -4.506 351 1HA GLY 43 1HA GLY 43 8.906 -9.442 -7.138 352 2HA GLY 43 2HA GLY 43 8.177 -8.409 -5.885 353 H SER 44 H SER 44 9.475 -7.098 -7.858 354 HA SER 44 HA SER 44 12.174 -6.518 -7.566 355 1HB SER 44 1HB SER 44 10.042 -4.439 -8.152 356 2HB SER 44 2HB SER 44 11.629 -4.660 -8.923 357 HG SER 44 HG SER 44 9.881 -5.423 -10.241 358 H THR 45 H THR 45 13.122 -4.439 -6.603 359 HA THR 45 HA THR 45 12.422 -4.181 -3.836 360 HB THR 45 HB THR 45 13.881 -2.208 -3.823 361 HG1 THR 45 HG1 THR 45 14.098 -2.584 -6.613 362 1HG2 THR 45 3HG2 THR 45 14.939 -4.441 -3.751 363 2HG2 THR 45 1HG2 THR 45 15.074 -4.455 -5.518 364 3HG2 THR 45 2HG2 THR 45 15.963 -3.248 -4.571 365 H LEU 46 H LEU 46 11.457 -2.367 -2.753 366 HA LEU 46 HA LEU 46 9.011 -1.522 -3.705 367 1HB LEU 46 1HB LEU 46 9.714 -1.392 -1.341 368 2HB LEU 46 2HB LEU 46 10.948 -0.192 -1.752 369 HG LEU 46 HG LEU 46 9.174 1.439 -2.362 370 1HD1 LEU 46 1HD1 LEU 46 7.276 -0.716 -1.301 371 2HD1 LEU 46 2HD1 LEU 46 6.830 0.965 -1.656 372 3HD1 LEU 46 3HD1 LEU 46 7.331 -0.104 -2.970 373 1HD2 LEU 46 3HD2 LEU 46 9.016 0.203 0.415 374 2HD2 LEU 46 1HD2 LEU 46 10.162 1.442 -0.134 375 3HD2 LEU 46 2HD2 LEU 46 8.439 1.828 -0.013 376 H ASP 47 H ASP 47 12.089 0.234 -3.926 377 HA ASP 47 HA ASP 47 11.142 2.534 -5.221 378 1HB ASP 47 1HB ASP 47 13.844 1.130 -5.470 379 2HB ASP 47 2HB ASP 47 13.493 2.788 -5.963 380 H GLU 48 H GLU 48 12.499 -0.419 -6.690 381 HA GLU 48 HA GLU 48 12.077 0.344 -9.399 382 1HB GLU 48 1HB GLU 48 12.060 -2.383 -8.057 383 2HB GLU 48 2HB GLU 48 11.953 -2.177 -9.810 384 1HG GLU 48 1HG GLU 48 14.118 -1.163 -9.955 385 2HG GLU 48 2HG GLU 48 14.282 -1.055 -8.202 386 H LEU 49 H LEU 49 9.917 -1.361 -7.137 387 HA LEU 49 HA LEU 49 7.846 -1.770 -9.047 388 1HB LEU 49 1HB LEU 49 8.013 -2.990 -6.905 389 2HB LEU 49 2HB LEU 49 7.669 -1.499 -6.021 390 HG LEU 49 HG LEU 49 5.411 -1.394 -7.013 391 1HD1 LEU 49 1HD1 LEU 49 6.247 -3.962 -8.440 392 2HD1 LEU 49 2HD1 LEU 49 4.568 -3.425 -8.271 393 3HD1 LEU 49 3HD1 LEU 49 5.704 -2.444 -9.192 394 1HD2 LEU 49 1HD2 LEU 49 5.830 -2.648 -4.910 395 2HD2 LEU 49 2HD2 LEU 49 4.475 -3.325 -5.834 396 3HD2 LEU 49 3HD2 LEU 49 6.054 -4.137 -5.849 397 H PHE 50 H PHE 50 8.433 0.825 -6.694 398 HA PHE 50 HA PHE 50 6.128 2.379 -7.161 399 1HB PHE 50 1HB PHE 50 7.814 2.650 -5.331 400 2HB PHE 50 2HB PHE 50 8.958 3.294 -6.493 401 HD1 PHE 50 HD1 PHE 50 5.724 3.822 -4.804 402 HD2 PHE 50 HD2 PHE 50 8.732 5.652 -7.272 403 HE1 PHE 50 HE1 PHE 50 5.019 6.041 -3.988 404 HE2 PHE 50 HE2 PHE 50 8.033 7.894 -6.445 405 HZ PHE 50 HZ PHE 50 6.327 8.066 -4.655 406 H GLU 51 H GLU 51 9.356 2.496 -8.754 407 HA GLU 51 HA GLU 51 8.684 4.558 -10.606 408 1HB GLU 51 1HB GLU 51 10.689 2.263 -10.723 409 2HB GLU 51 2HB GLU 51 10.660 3.594 -11.889 410 1HG GLU 51 1HG GLU 51 11.260 5.218 -10.259 411 2HG GLU 51 2HG GLU 51 10.906 4.149 -8.902 412 H GLU 52 H GLU 52 8.450 1.028 -10.819 413 HA GLU 52 HA GLU 52 7.573 0.801 -13.473 414 1HB GLU 52 1HB GLU 52 8.147 -1.100 -11.897 415 2HB GLU 52 2HB GLU 52 6.546 -0.889 -11.165 416 1HG GLU 52 1HG GLU 52 5.502 -1.308 -13.407 417 2HG GLU 52 2HG GLU 52 7.118 -1.657 -14.044 418 H LEU 53 H LEU 53 5.684 1.537 -10.544 419 HA LEU 53 HA LEU 53 3.171 1.738 -11.991 420 1HB LEU 53 1HB LEU 53 3.944 2.657 -9.205 421 2HB LEU 53 2HB LEU 53 2.310 2.518 -9.858 422 HG LEU 53 HG LEU 53 4.254 0.215 -9.408 423 1HD1 LEU 53 3HD1 LEU 53 3.297 1.226 -7.342 424 2HD1 LEU 53 1HD1 LEU 53 1.672 0.840 -7.964 425 3HD1 LEU 53 2HD1 LEU 53 2.832 -0.460 -7.614 426 1HD2 LEU 53 3HD2 LEU 53 1.394 0.098 -10.380 427 2HD2 LEU 53 1HD2 LEU 53 2.852 -0.325 -11.321 428 3HD2 LEU 53 2HD2 LEU 53 2.424 -1.283 -9.916 429 H ASP 54 H ASP 54 5.167 4.214 -10.374 430 HA ASP 54 HA ASP 54 3.979 6.313 -12.157 431 1HB ASP 54 1HB ASP 54 3.396 6.601 -9.804 432 2HB ASP 54 2HB ASP 54 5.097 6.505 -9.333 433 H LYS 55 H LYS 55 5.472 6.152 -13.824 434 HA LYS 55 HA LYS 55 8.217 5.727 -13.428 435 1HB LYS 55 1HB LYS 55 6.738 6.986 -15.781 436 2HB LYS 55 2HB LYS 55 8.467 6.637 -15.772 437 1HG LYS 55 1HG LYS 55 7.418 4.864 -16.899 438 2HG LYS 55 2HG LYS 55 7.996 4.230 -15.352 439 1HD LYS 55 1HD LYS 55 5.779 4.100 -14.458 440 2HD LYS 55 2HD LYS 55 5.115 5.154 -15.732 441 1HE LYS 55 1HE LYS 55 4.468 2.848 -16.139 442 2HE LYS 55 2HE LYS 55 5.553 3.404 -17.427 443 1HZ LYS 55 3HZ LYS 55 7.343 2.276 -16.221 444 2HZ LYS 55 1HZ LYS 55 6.234 1.730 -15.119 445 3HZ LYS 55 2HZ LYS 55 6.146 1.238 -16.689 446 H ASN 56 H ASN 56 6.655 8.713 -14.394 447 HA ASN 56 HA ASN 56 8.100 10.299 -12.415 448 1HB ASN 56 1HB ASN 56 9.023 11.873 -14.005 449 2HB ASN 56 2HB ASN 56 9.675 10.274 -14.374 450 1HD2 ASN 56 1HD2 ASN 56 8.571 12.023 -17.547 451 2HD2 ASN 56 2HD2 ASN 56 9.618 12.499 -16.220 452 H GLY 57 H GLY 57 5.405 9.369 -12.840 453 1HA GLY 57 1HA GLY 57 3.878 11.179 -14.458 454 2HA GLY 57 2HA GLY 57 3.221 10.059 -13.259 455 H ASP 58 H ASP 58 3.454 10.749 -10.920 456 HA ASP 58 HA ASP 58 3.536 13.697 -10.537 457 1HB ASP 58 1HB ASP 58 1.750 13.445 -9.039 458 2HB ASP 58 2HB ASP 58 1.245 12.777 -10.592 459 H GLY 59 H GLY 59 5.192 10.857 -9.793 460 1HA GLY 59 1HA GLY 59 7.010 10.706 -8.398 461 2HA GLY 59 2HA GLY 59 6.549 12.191 -7.562 462 H GLU 60 H GLU 60 3.808 10.225 -7.724 463 HA GLU 60 HA GLU 60 4.316 8.348 -5.562 464 1HB GLU 60 1HB GLU 60 2.294 10.608 -5.344 465 2HB GLU 60 2HB GLU 60 2.347 9.182 -4.295 466 1HG GLU 60 1HG GLU 60 4.738 9.866 -3.691 467 2HG GLU 60 2HG GLU 60 4.398 11.413 -4.486 468 H VAL 61 H VAL 61 2.086 7.158 -5.285 469 HA VAL 61 HA VAL 61 1.385 6.413 -8.106 470 HB VAL 61 HB VAL 61 1.644 4.827 -5.557 471 1HG1 VAL 61 3HG1 VAL 61 -0.222 3.932 -6.936 472 2HG1 VAL 61 1HG1 VAL 61 0.867 3.837 -8.337 473 3HG1 VAL 61 2HG1 VAL 61 1.161 2.841 -6.898 474 1HG2 VAL 61 3HG2 VAL 61 3.183 4.834 -8.202 475 2HG2 VAL 61 1HG2 VAL 61 3.792 5.444 -6.654 476 3HG2 VAL 61 2HG2 VAL 61 3.484 3.717 -6.870 477 H SER 62 H SER 62 -0.505 7.344 -8.645 478 HA SER 62 HA SER 62 -2.752 7.460 -6.772 479 1HB SER 62 1HB SER 62 -3.928 8.520 -8.686 480 2HB SER 62 2HB SER 62 -2.454 9.353 -8.179 481 HG SER 62 HG SER 62 -1.373 8.533 -9.946 482 H PHE 63 H PHE 63 -4.876 6.510 -7.322 483 HA PHE 63 HA PHE 63 -4.766 3.789 -7.431 484 1HB PHE 63 1HB PHE 63 -6.693 5.085 -6.668 485 2HB PHE 63 2HB PHE 63 -7.140 5.421 -8.339 486 HD1 PHE 63 HD1 PHE 63 -6.325 2.500 -6.080 487 HD2 PHE 63 HD2 PHE 63 -8.747 3.952 -9.337 488 HE1 PHE 63 HE1 PHE 63 -7.629 0.410 -6.037 489 HE2 PHE 63 HE2 PHE 63 -10.043 1.847 -9.296 490 HZ PHE 63 HZ PHE 63 -9.502 0.072 -7.625 491 H GLU 64 H GLU 64 -5.543 5.891 -10.183 492 HA GLU 64 HA GLU 64 -6.033 4.007 -12.145 493 1HB GLU 64 1HB GLU 64 -5.513 5.818 -13.746 494 2HB GLU 64 2HB GLU 64 -6.525 6.366 -12.405 495 1HG GLU 64 1HG GLU 64 -4.460 7.331 -11.295 496 2HG GLU 64 2HG GLU 64 -3.519 6.846 -12.710 497 H GLU 65 H GLU 65 -2.873 4.866 -10.865 498 HA GLU 65 HA GLU 65 -1.533 3.332 -13.062 499 1HB GLU 65 1HB GLU 65 0.568 4.324 -12.194 500 2HB GLU 65 2HB GLU 65 -0.568 5.444 -12.957 501 1HG GLU 65 1HG GLU 65 -1.379 6.157 -10.734 502 2HG GLU 65 2HG GLU 65 -0.191 5.097 -9.957 503 H PHE 66 H PHE 66 -2.199 3.390 -9.573 504 HA PHE 66 HA PHE 66 -0.671 1.133 -8.755 505 1HB PHE 66 1HB PHE 66 -1.745 2.340 -7.097 506 2HB PHE 66 2HB PHE 66 -3.229 2.450 -7.966 507 HD1 PHE 66 HD1 PHE 66 -1.227 0.090 -5.920 508 HD2 PHE 66 HD2 PHE 66 -4.946 0.874 -7.916 509 HE1 PHE 66 HE1 PHE 66 -2.314 -1.737 -4.616 510 HE2 PHE 66 HE2 PHE 66 -5.989 -1.080 -6.804 511 HZ PHE 66 HZ PHE 66 -4.691 -2.289 -4.999 512 H GLN 67 H GLN 67 -3.709 1.386 -10.629 513 HA GLN 67 HA GLN 67 -4.377 -1.295 -10.917 514 1HB GLN 67 1HB GLN 67 -4.550 1.112 -12.670 515 2HB GLN 67 2HB GLN 67 -4.692 -0.441 -13.485 516 1HG GLN 67 1HG GLN 67 -6.859 0.407 -12.905 517 2HG GLN 67 2HG GLN 67 -6.538 -1.118 -12.064 518 1HE2 GLN 67 1HE2 GLN 67 -6.784 0.334 -8.807 519 2HE2 GLN 67 2HE2 GLN 67 -6.159 -1.031 -9.714 520 H VAL 68 H VAL 68 -1.476 0.192 -12.310 521 HA VAL 68 HA VAL 68 -0.826 -1.975 -14.081 522 HB VAL 68 HB VAL 68 0.969 0.055 -12.718 523 1HG1 VAL 68 1HG1 VAL 68 1.523 -1.811 -15.055 524 2HG1 VAL 68 2HG1 VAL 68 2.552 -0.444 -14.577 525 3HG1 VAL 68 3HG1 VAL 68 2.342 -1.806 -13.476 526 1HG2 VAL 68 1HG2 VAL 68 -0.757 1.089 -14.201 527 2HG2 VAL 68 2HG2 VAL 68 0.864 1.235 -14.887 528 3HG2 VAL 68 3HG2 VAL 68 -0.256 0.008 -15.515 529 H LEU 69 H LEU 69 -0.520 -1.503 -10.604 530 HA LEU 69 HA LEU 69 1.361 -3.651 -10.121 531 1HB LEU 69 1HB LEU 69 0.548 -1.572 -8.627 532 2HB LEU 69 2HB LEU 69 -0.703 -2.686 -8.104 533 HG LEU 69 HG LEU 69 2.303 -2.998 -7.807 534 1HD1 LEU 69 3HD1 LEU 69 1.107 -1.404 -6.276 535 2HD1 LEU 69 1HD1 LEU 69 0.063 -2.738 -5.750 536 3HD1 LEU 69 2HD1 LEU 69 1.808 -2.787 -5.423 537 1HD2 LEU 69 3HD2 LEU 69 0.076 -4.941 -7.070 538 2HD2 LEU 69 1HD2 LEU 69 1.451 -5.248 -8.160 539 3HD2 LEU 69 2HD2 LEU 69 1.729 -5.034 -6.430 540 H VAL 70 H VAL 70 -2.179 -3.169 -9.855 541 HA VAL 70 HA VAL 70 -2.903 -5.806 -9.148 542 HB VAL 70 HB VAL 70 -4.554 -3.911 -10.883 543 1HG1 VAL 70 1HG1 VAL 70 -5.322 -6.124 -8.932 544 2HG1 VAL 70 2HG1 VAL 70 -6.457 -5.037 -9.762 545 3HG1 VAL 70 3HG1 VAL 70 -5.487 -6.179 -10.699 546 1HG2 VAL 70 3HG2 VAL 70 -4.061 -3.948 -7.885 547 2HG2 VAL 70 1HG2 VAL 70 -3.888 -2.582 -8.989 548 3HG2 VAL 70 2HG2 VAL 70 -5.499 -3.189 -8.612 549 H LYS 71 H LYS 71 -2.486 -4.329 -12.370 550 HA LYS 71 HA LYS 71 -3.007 -6.579 -13.984 551 1HB LYS 71 1HB LYS 71 -2.765 -4.427 -14.952 552 2HB LYS 71 2HB LYS 71 -1.127 -4.230 -14.324 553 1HG LYS 71 1HG LYS 71 -0.302 -6.059 -15.723 554 2HG LYS 71 2HG LYS 71 -1.916 -6.293 -16.412 555 1HD LYS 71 1HD LYS 71 -0.117 -3.820 -16.617 556 2HD LYS 71 2HD LYS 71 -0.449 -4.980 -17.906 557 1HE LYS 71 1HE LYS 71 -2.421 -3.002 -16.668 558 2HE LYS 71 2HE LYS 71 -1.739 -2.968 -18.294 559 1HZ LYS 71 3HZ LYS 71 -2.867 -5.027 -18.756 560 2HZ LYS 71 1HZ LYS 71 -3.525 -5.045 -17.244 561 3HZ LYS 71 2HZ LYS 71 -3.933 -3.853 -18.305 562 H LYS 72 H LYS 72 0.167 -5.505 -12.739 563 HA LYS 72 HA LYS 72 1.609 -7.791 -13.468 564 1HB LYS 72 1HB LYS 72 2.017 -5.681 -11.384 565 2HB LYS 72 2HB LYS 72 2.861 -7.206 -11.126 566 1HG LYS 72 1HG LYS 72 4.355 -5.836 -12.326 567 2HG LYS 72 2HG LYS 72 3.798 -7.091 -13.436 568 1HD LYS 72 1HD LYS 72 2.094 -5.363 -14.317 569 2HD LYS 72 2HD LYS 72 2.925 -4.177 -13.291 570 1HE LYS 72 1HE LYS 72 5.076 -4.739 -14.505 571 2HE LYS 72 2HE LYS 72 4.144 -5.793 -15.581 572 1HZ LYS 72 3HZ LYS 72 2.868 -3.879 -16.236 573 2HZ LYS 72 1HZ LYS 72 3.739 -2.904 -15.232 574 3HZ LYS 72 2HZ LYS 72 4.474 -3.631 -16.515 575 H ILE 73 H ILE 73 -0.361 -7.445 -10.529 576 HA ILE 73 HA ILE 73 0.319 -10.018 -9.472 577 HB ILE 73 HB ILE 73 -2.298 -8.509 -9.102 578 1HG1 ILE 73 1HG1 ILE 73 0.283 -8.609 -7.479 579 2HG1 ILE 73 2HG1 ILE 73 -0.364 -7.213 -8.329 580 1HG2 ILE 73 3HG2 ILE 73 -2.481 -10.949 -8.528 581 2HG2 ILE 73 1HG2 ILE 73 -1.093 -10.769 -7.444 582 3HG2 ILE 73 2HG2 ILE 73 -2.622 -9.923 -7.122 583 1HD1 ILE 73 3HD1 ILE 73 -2.374 -7.259 -6.820 584 2HD1 ILE 73 1HD1 ILE 73 -1.534 -8.493 -5.843 585 3HD1 ILE 73 2HD1 ILE 73 -0.833 -6.889 -6.023 586 H SER 74 H SER 74 -1.833 -9.138 -12.115 587 HA SER 74 HA SER 74 -3.277 -10.335 -13.420 588 1HB SER 74 1HB SER 74 -0.782 -11.988 -13.089 589 2HB SER 74 2HB SER 74 -2.051 -12.473 -14.241 590 HG SER 74 HG SER 74 -0.925 -9.874 -14.208 591 H GLN 75 H GLN 75 -4.384 -10.449 -11.040 592 HA GLN 75 HA GLN 75 -4.802 -12.976 -9.834 593 1HB GLN 75 1HB GLN 75 -6.744 -10.641 -10.130 594 2HB GLN 75 2HB GLN 75 -6.928 -12.002 -9.012 595 1HG GLN 75 1HG GLN 75 -4.749 -11.389 -7.944 596 2HG GLN 75 2HG GLN 75 -4.683 -9.932 -8.959 597 1HE2 GLN 75 1HE2 GLN 75 -7.680 -8.562 -7.271 598 2HE2 GLN 75 2HE2 GLN 75 -7.074 -8.761 -8.915 No H/Q in entry = 598 Start of MODEL 16 Raw file had 599 H/Q atoms Start of MODEL 16 1 1H LYS 1 1H LYS 1 -9.724 -11.003 -5.133 2 2H LYS 1 2H LYS 1 -8.349 -10.038 -5.224 3 3H LYS 1 3H LYS 1 -8.705 -10.862 -3.802 4 HA LYS 1 HA LYS 1 -10.685 -9.586 -3.506 5 1HB LYS 1 1HB LYS 1 -8.140 -7.995 -4.020 6 2HB LYS 1 2HB LYS 1 -9.514 -7.371 -3.102 7 1HG LYS 1 1HG LYS 1 -7.890 -9.838 -2.323 8 2HG LYS 1 2HG LYS 1 -7.604 -8.202 -1.713 9 1HD LYS 1 1HD LYS 1 -9.945 -8.144 -0.810 10 2HD LYS 1 2HD LYS 1 -10.154 -9.834 -1.313 11 1HE LYS 1 1HE LYS 1 -8.250 -10.503 0.133 12 2HE LYS 1 2HE LYS 1 -8.041 -8.816 0.642 13 1HZ LYS 1 3HZ LYS 1 -10.248 -8.882 1.550 14 2HZ LYS 1 1HZ LYS 1 -10.440 -10.450 1.083 15 3HZ LYS 1 2HZ LYS 1 -9.309 -10.061 2.216 16 H SER 2 H SER 2 -12.195 -8.131 -4.352 17 HA SER 2 HA SER 2 -12.268 -7.827 -7.214 18 1HB SER 2 1HB SER 2 -14.312 -6.505 -6.760 19 2HB SER 2 2HB SER 2 -14.317 -8.030 -5.869 20 HG SER 2 HG SER 2 -13.828 -6.958 -4.015 21 HA PRO 3 HA PRO 3 -10.165 -3.866 -7.763 22 1HB PRO 3 1HB PRO 3 -12.773 -3.090 -9.117 23 2HB PRO 3 2HB PRO 3 -11.101 -2.713 -9.632 24 1HG PRO 3 1HG PRO 3 -12.418 -4.774 -10.796 25 2HG PRO 3 2HG PRO 3 -10.724 -5.006 -10.268 26 1HD PRO 3 1HD PRO 3 -13.253 -5.884 -8.864 27 2HD PRO 3 2HD PRO 3 -11.715 -6.767 -9.104 28 H GLU 4 H GLU 4 -13.624 -3.838 -6.781 29 HA GLU 4 HA GLU 4 -13.711 -1.358 -5.459 30 1HB GLU 4 1HB GLU 4 -15.254 -3.885 -4.842 31 2HB GLU 4 2HB GLU 4 -15.614 -2.241 -4.289 32 1HG GLU 4 1HG GLU 4 -16.826 -2.031 -6.147 33 2HG GLU 4 2HG GLU 4 -15.326 -1.788 -7.006 34 H GLU 5 H GLU 5 -12.849 -4.578 -4.202 35 HA GLU 5 HA GLU 5 -12.422 -3.703 -1.460 36 1HB GLU 5 1HB GLU 5 -11.481 -6.107 -3.050 37 2HB GLU 5 2HB GLU 5 -10.987 -5.835 -1.374 38 1HG GLU 5 1HG GLU 5 -13.211 -5.994 -0.543 39 2HG GLU 5 2HG GLU 5 -13.923 -5.884 -2.156 40 H LEU 6 H LEU 6 -10.353 -4.142 -4.307 41 HA LEU 6 HA LEU 6 -7.924 -3.348 -3.044 42 1HB LEU 6 1HB LEU 6 -8.837 -3.324 -5.940 43 2HB LEU 6 2HB LEU 6 -7.226 -2.900 -5.413 44 HG LEU 6 HG LEU 6 -8.605 -5.618 -5.209 45 1HD1 LEU 6 3HD1 LEU 6 -7.400 -4.984 -7.322 46 2HD1 LEU 6 1HD1 LEU 6 -5.913 -4.818 -6.348 47 3HD1 LEU 6 2HD1 LEU 6 -6.704 -6.396 -6.496 48 1HD2 LEU 6 3HD2 LEU 6 -6.104 -4.683 -3.768 49 2HD2 LEU 6 1HD2 LEU 6 -7.527 -5.513 -3.086 50 3HD2 LEU 6 2HD2 LEU 6 -6.414 -6.392 -4.135 51 H LYS 7 H LYS 7 -10.395 -1.400 -4.681 52 HA LYS 7 HA LYS 7 -9.055 1.086 -4.346 53 1HB LYS 7 1HB LYS 7 -11.127 0.760 -5.696 54 2HB LYS 7 2HB LYS 7 -12.057 0.511 -4.235 55 1HG LYS 7 1HG LYS 7 -12.370 2.763 -5.104 56 2HG LYS 7 2HG LYS 7 -11.696 2.780 -3.474 57 1HD LYS 7 1HD LYS 7 -9.451 3.285 -4.366 58 2HD LYS 7 2HD LYS 7 -10.059 3.118 -6.026 59 1HE LYS 7 1HE LYS 7 -11.541 5.054 -5.703 60 2HE LYS 7 2HE LYS 7 -11.029 5.195 -4.011 61 1HZ LYS 7 1HZ LYS 7 -9.284 5.479 -6.351 62 2HZ LYS 7 2HZ LYS 7 -9.864 6.712 -5.420 63 3HZ LYS 7 3HZ LYS 7 -8.812 5.618 -4.778 64 H GLY 8 H GLY 8 -11.317 -0.637 -2.244 65 1HA GLY 8 1HA GLY 8 -11.417 1.112 -0.028 66 2HA GLY 8 2HA GLY 8 -11.509 -0.657 0.088 67 H ILE 9 H ILE 9 -9.138 -1.544 -0.631 68 HA ILE 9 HA ILE 9 -7.340 -1.226 1.526 69 HB ILE 9 HB ILE 9 -7.062 -2.306 -1.271 70 1HG1 ILE 9 1HG1 ILE 9 -8.643 -3.264 0.591 71 2HG1 ILE 9 2HG1 ILE 9 -7.682 -4.345 -0.423 72 1HG2 ILE 9 1HG2 ILE 9 -5.030 -2.429 0.955 73 2HG2 ILE 9 2HG2 ILE 9 -5.036 -3.520 -0.455 74 3HG2 ILE 9 3HG2 ILE 9 -4.822 -1.783 -0.679 75 1HD1 ILE 9 1HD1 ILE 9 -6.861 -3.427 2.371 76 2HD1 ILE 9 2HD1 ILE 9 -7.718 -4.937 2.007 77 3HD1 ILE 9 3HD1 ILE 9 -6.095 -4.682 1.359 78 H PHE 10 H PHE 10 -7.096 -0.001 -1.849 79 HA PHE 10 HA PHE 10 -4.749 1.459 -1.677 80 1HB PHE 10 1HB PHE 10 -6.052 1.078 -3.761 81 2HB PHE 10 2HB PHE 10 -7.308 2.132 -3.179 82 HD1 PHE 10 HD1 PHE 10 -7.051 4.559 -2.995 83 HD2 PHE 10 HD2 PHE 10 -3.916 2.048 -4.574 84 HE1 PHE 10 HE1 PHE 10 -5.886 6.541 -3.823 85 HE2 PHE 10 HE2 PHE 10 -2.736 4.082 -5.414 86 HZ PHE 10 HZ PHE 10 -3.687 6.314 -4.981 87 H GLU 11 H GLU 11 -8.071 2.559 -0.881 88 HA GLU 11 HA GLU 11 -7.314 5.208 -0.077 89 1HB GLU 11 1HB GLU 11 -9.753 3.500 0.549 90 2HB GLU 11 2HB GLU 11 -9.578 5.193 1.036 91 1HG GLU 11 1HG GLU 11 -9.362 5.917 -1.282 92 2HG GLU 11 2HG GLU 11 -9.401 4.250 -1.862 93 H LYS 12 H LYS 12 -7.995 2.235 1.825 94 HA LYS 12 HA LYS 12 -7.619 3.117 4.420 95 1HB LYS 12 1HB LYS 12 -8.292 0.902 4.089 96 2HB LYS 12 2HB LYS 12 -6.931 0.503 3.039 97 1HG LYS 12 1HG LYS 12 -5.346 0.505 4.781 98 2HG LYS 12 2HG LYS 12 -6.520 1.097 5.973 99 1HD LYS 12 1HD LYS 12 -6.575 -1.575 4.472 100 2HD LYS 12 2HD LYS 12 -6.049 -1.346 6.141 101 1HE LYS 12 1HE LYS 12 -8.885 -1.018 5.053 102 2HE LYS 12 2HE LYS 12 -8.280 -2.274 6.131 103 1HZ LYS 12 3HZ LYS 12 -7.865 -0.587 7.777 104 2HZ LYS 12 1HZ LYS 12 -8.462 0.582 6.777 105 3HZ LYS 12 2HZ LYS 12 -9.452 -0.611 7.334 106 H TYR 13 H TYR 13 -5.033 1.997 2.189 107 HA TYR 13 HA TYR 13 -2.992 2.724 4.167 108 1HB TYR 13 1HB TYR 13 -2.846 1.654 1.361 109 2HB TYR 13 2HB TYR 13 -1.421 2.072 2.320 110 HD1 TYR 13 HD1 TYR 13 -1.098 1.042 4.581 111 HD2 TYR 13 HD2 TYR 13 -4.198 -0.329 1.990 112 HE1 TYR 13 HE1 TYR 13 -1.429 -0.981 6.018 113 HE2 TYR 13 HE2 TYR 13 -4.466 -2.366 3.276 114 HH TYR 13 HH TYR 13 -3.863 -3.478 5.265 115 H ALA 14 H ALA 14 -4.036 4.070 1.038 116 HA ALA 14 HA ALA 14 -2.121 6.138 0.849 117 1HB ALA 14 3HB ALA 14 -3.652 5.474 -0.984 118 2HB ALA 14 1HB ALA 14 -5.014 6.169 -0.081 119 3HB ALA 14 2HB ALA 14 -3.701 7.206 -0.681 120 H ALA 15 H ALA 15 -5.212 6.150 2.575 121 HA ALA 15 HA ALA 15 -5.093 8.892 3.401 122 1HB ALA 15 3HB ALA 15 -7.165 7.469 3.424 123 2HB ALA 15 1HB ALA 15 -6.450 6.517 4.750 124 3HB ALA 15 2HB ALA 15 -6.843 8.228 5.000 125 H LYS 16 H LYS 16 -3.191 6.192 4.494 126 HA LYS 16 HA LYS 16 -2.992 7.027 7.244 127 1HB LYS 16 1HB LYS 16 -2.614 4.708 6.350 128 2HB LYS 16 2HB LYS 16 -1.090 5.271 5.643 129 1HG LYS 16 1HG LYS 16 -0.400 6.007 7.987 130 2HG LYS 16 2HG LYS 16 -1.822 5.146 8.594 131 1HD LYS 16 1HD LYS 16 0.573 4.027 7.060 132 2HD LYS 16 2HD LYS 16 0.160 3.714 8.748 133 1HE LYS 16 1HE LYS 16 -1.366 2.763 6.275 134 2HE LYS 16 2HE LYS 16 -0.411 1.773 7.382 135 1HZ LYS 16 3HZ LYS 16 -1.966 2.317 9.118 136 2HZ LYS 16 1HZ LYS 16 -2.867 3.220 8.072 137 3HZ LYS 16 2HZ LYS 16 -2.726 1.595 7.844 138 H GLU 17 H GLU 17 -2.638 9.286 6.829 139 HA GLU 17 HA GLU 17 -1.374 11.127 7.052 140 1HB GLU 17 1HB GLU 17 1.115 9.443 6.602 141 2HB GLU 17 2HB GLU 17 1.051 11.132 7.114 142 1HG GLU 17 1HG GLU 17 -0.176 10.484 9.171 143 2HG GLU 17 2HG GLU 17 -0.120 8.782 8.683 144 H GLY 18 H GLY 18 -0.654 9.028 4.299 145 1HA GLY 18 1HA GLY 18 -0.038 11.172 2.445 146 2HA GLY 18 2HA GLY 18 -0.535 9.518 2.049 147 H ASP 19 H ASP 19 -1.617 11.248 0.424 148 HA ASP 19 HA ASP 19 -4.197 12.264 1.401 149 1HB ASP 19 1HB ASP 19 -2.904 13.511 -0.310 150 2HB ASP 19 2HB ASP 19 -3.031 12.132 -1.415 151 HA PRO 20 HA PRO 20 -6.076 8.225 0.802 152 1HB PRO 20 1HB PRO 20 -8.652 8.975 -0.007 153 2HB PRO 20 2HB PRO 20 -8.068 8.846 1.677 154 1HG PRO 20 1HG PRO 20 -8.230 11.305 -0.071 155 2HG PRO 20 2HG PRO 20 -8.712 11.141 1.644 156 1HD PRO 20 1HD PRO 20 -6.377 12.256 1.007 157 2HD PRO 20 2HD PRO 20 -6.413 11.080 2.348 158 H ASN 21 H ASN 21 -6.113 10.602 -1.833 159 HA ASN 21 HA ASN 21 -6.955 8.672 -3.850 160 1HB ASN 21 1HB ASN 21 -5.864 11.500 -4.063 161 2HB ASN 21 2HB ASN 21 -6.569 10.551 -5.365 162 1HD2 ASN 21 1HD2 ASN 21 -8.985 12.481 -2.724 163 2HD2 ASN 21 2HD2 ASN 21 -7.238 12.455 -2.501 164 H GLN 22 H GLN 22 -3.923 9.175 -2.268 165 HA GLN 22 HA GLN 22 -2.434 8.130 -4.607 166 1HB GLN 22 1HB GLN 22 -2.675 10.563 -4.850 167 2HB GLN 22 2HB GLN 22 -1.858 10.811 -3.299 168 1HG GLN 22 1HG GLN 22 0.198 10.052 -4.146 169 2HG GLN 22 2HG GLN 22 -0.548 9.175 -5.496 170 1HE2 GLN 22 1HE2 GLN 22 0.503 13.010 -6.117 171 2HE2 GLN 22 2HE2 GLN 22 0.813 12.256 -4.547 172 H LEU 23 H LEU 23 -1.104 6.531 -3.960 173 HA LEU 23 HA LEU 23 -0.316 6.259 -1.157 174 1HB LEU 23 1HB LEU 23 0.299 4.634 -3.632 175 2HB LEU 23 2HB LEU 23 0.813 4.268 -2.008 176 HG LEU 23 HG LEU 23 -2.137 4.513 -2.665 177 1HD1 LEU 23 3HD1 LEU 23 -1.104 2.842 -4.200 178 2HD1 LEU 23 1HD1 LEU 23 -0.363 2.044 -2.798 179 3HD1 LEU 23 2HD1 LEU 23 -2.126 2.053 -2.975 180 1HD2 LEU 23 1HD2 LEU 23 -1.397 4.441 -0.264 181 2HD2 LEU 23 2HD2 LEU 23 -2.393 3.051 -0.720 182 3HD2 LEU 23 3HD2 LEU 23 -0.631 2.875 -0.561 183 H SER 24 H SER 24 1.657 6.902 -0.372 184 HA SER 24 HA SER 24 3.833 7.838 -2.107 185 1HB SER 24 1HB SER 24 4.932 8.280 0.029 186 2HB SER 24 2HB SER 24 3.264 8.851 0.135 187 HG SER 24 HG SER 24 3.293 7.616 1.869 188 H LYS 25 H LYS 25 6.096 6.743 -1.435 189 HA LYS 25 HA LYS 25 6.053 3.958 -2.054 190 1HB LYS 25 1HB LYS 25 8.160 5.669 -0.626 191 2HB LYS 25 2HB LYS 25 8.393 3.977 -1.084 192 1HG LYS 25 1HG LYS 25 8.004 4.549 -3.450 193 2HG LYS 25 2HG LYS 25 7.862 6.267 -3.008 194 1HD LYS 25 1HD LYS 25 10.204 6.171 -2.095 195 2HD LYS 25 2HD LYS 25 10.293 4.465 -2.555 196 1HE LYS 25 1HE LYS 25 11.412 5.743 -4.264 197 2HE LYS 25 2HE LYS 25 9.906 5.121 -4.959 198 1HZ LYS 25 1HZ LYS 25 10.320 7.837 -3.914 199 2HZ LYS 25 2HZ LYS 25 10.272 7.405 -5.505 200 3HZ LYS 25 3HZ LYS 25 8.923 7.260 -4.574 201 H GLU 26 H GLU 26 6.091 5.772 0.992 202 HA GLU 26 HA GLU 26 6.471 3.532 2.707 203 1HB GLU 26 1HB GLU 26 4.924 6.064 3.476 204 2HB GLU 26 2HB GLU 26 5.866 4.989 4.503 205 1HG GLU 26 1HG GLU 26 7.255 6.762 4.298 206 2HG GLU 26 2HG GLU 26 7.905 5.764 2.993 207 H GLU 27 H GLU 27 3.534 5.285 1.799 208 HA GLU 27 HA GLU 27 1.772 3.475 3.158 209 1HB GLU 27 1HB GLU 27 1.295 5.380 0.864 210 2HB GLU 27 2HB GLU 27 0.051 4.273 1.465 211 1HG GLU 27 1HG GLU 27 -0.235 6.416 2.564 212 2HG GLU 27 2HG GLU 27 0.194 5.149 3.715 213 H LEU 28 H LEU 28 3.066 3.310 -0.272 214 HA LEU 28 HA LEU 28 1.883 0.788 -0.795 215 1HB LEU 28 1HB LEU 28 4.436 2.127 -1.731 216 2HB LEU 28 2HB LEU 28 4.096 0.457 -2.203 217 HG LEU 28 HG LEU 28 2.006 2.552 -2.438 218 1HD1 LEU 28 1HD1 LEU 28 4.184 2.011 -4.485 219 2HD1 LEU 28 2HD1 LEU 28 2.703 2.947 -4.792 220 3HD1 LEU 28 3HD1 LEU 28 3.872 3.534 -3.598 221 1HD2 LEU 28 1HD2 LEU 28 1.345 0.151 -2.856 222 2HD2 LEU 28 2HD2 LEU 28 1.232 1.088 -4.355 223 3HD2 LEU 28 3HD2 LEU 28 2.624 0.029 -4.076 224 H LYS 29 H LYS 29 4.874 1.482 1.013 225 HA LYS 29 HA LYS 29 5.627 -1.274 1.113 226 1HB LYS 29 1HB LYS 29 6.982 0.819 1.683 227 2HB LYS 29 2HB LYS 29 6.125 0.907 3.197 228 1HG LYS 29 1HG LYS 29 7.008 -1.333 3.839 229 2HG LYS 29 2HG LYS 29 7.844 -1.456 2.288 230 1HD LYS 29 1HD LYS 29 9.278 0.450 2.868 231 2HD LYS 29 2HD LYS 29 8.315 0.781 4.316 232 1HE LYS 29 1HE LYS 29 10.396 -0.359 4.929 233 2HE LYS 29 2HE LYS 29 8.994 -1.368 5.320 234 1HZ LYS 29 1HZ LYS 29 10.690 -1.653 2.938 235 2HZ LYS 29 2HZ LYS 29 10.744 -2.607 4.282 236 3HZ LYS 29 3HZ LYS 29 9.403 -2.608 3.327 237 H LEU 30 H LEU 30 3.772 0.719 3.348 238 HA LEU 30 HA LEU 30 3.123 -1.426 5.165 239 1HB LEU 30 1HB LEU 30 1.868 1.268 4.574 240 2HB LEU 30 2HB LEU 30 0.987 0.113 5.567 241 HG LEU 30 HG LEU 30 2.228 1.747 6.893 242 1HD1 LEU 30 3HD1 LEU 30 1.648 -0.500 7.792 243 2HD1 LEU 30 1HD1 LEU 30 3.268 -1.080 7.350 244 3HD1 LEU 30 2HD1 LEU 30 3.085 0.214 8.541 245 1HD2 LEU 30 1HD2 LEU 30 4.227 2.063 5.511 246 2HD2 LEU 30 2HD2 LEU 30 4.653 1.613 7.166 247 3HD2 LEU 30 3HD2 LEU 30 4.769 0.407 5.874 248 H LEU 31 H LEU 31 1.276 -0.205 2.404 249 HA LEU 31 HA LEU 31 -0.865 -2.016 2.494 250 1HB LEU 31 1HB LEU 31 -0.605 -0.046 0.999 251 2HB LEU 31 2HB LEU 31 0.536 -0.938 0.001 252 HG LEU 31 HG LEU 31 -2.292 -1.911 0.518 253 1HD1 LEU 31 1HD1 LEU 31 -1.270 -0.101 -1.722 254 2HD1 LEU 31 2HD1 LEU 31 -2.887 -0.825 -1.669 255 3HD1 LEU 31 3HD1 LEU 31 -2.417 0.365 -0.451 256 1HD2 LEU 31 3HD2 LEU 31 -0.283 -2.491 -1.710 257 2HD2 LEU 31 1HD2 LEU 31 -0.915 -3.652 -0.523 258 3HD2 LEU 31 2HD2 LEU 31 -1.988 -2.978 -1.738 259 H LEU 32 H LEU 32 2.226 -2.344 0.814 260 HA LEU 32 HA LEU 32 1.821 -4.915 -0.275 261 1HB LEU 32 1HB LEU 32 4.350 -3.422 0.507 262 2HB LEU 32 2HB LEU 32 4.402 -5.008 -0.260 263 HG LEU 32 HG LEU 32 2.908 -2.698 -1.561 264 1HD1 LEU 32 3HD1 LEU 32 5.277 -2.009 -1.200 265 2HD1 LEU 32 1HD1 LEU 32 5.815 -3.519 -1.970 266 3HD1 LEU 32 2HD1 LEU 32 4.931 -2.300 -2.912 267 1HD2 LEU 32 3HD2 LEU 32 4.148 -5.262 -2.647 268 2HD2 LEU 32 1HD2 LEU 32 2.415 -4.952 -2.427 269 3HD2 LEU 32 2HD2 LEU 32 3.333 -4.010 -3.607 270 H GLN 33 H GLN 33 3.566 -4.009 2.782 271 HA GLN 33 HA GLN 33 4.141 -6.682 3.541 272 1HB GLN 33 1HB GLN 33 3.643 -4.166 5.169 273 2HB GLN 33 2HB GLN 33 4.182 -5.681 5.901 274 1HG GLN 33 1HG GLN 33 6.255 -5.688 4.737 275 2HG GLN 33 2HG GLN 33 5.763 -4.380 3.650 276 1HE2 GLN 33 1HE2 GLN 33 5.974 -1.820 6.233 277 2HE2 GLN 33 2HE2 GLN 33 4.967 -2.361 4.878 278 H THR 34 H THR 34 1.361 -4.653 4.412 279 HA THR 34 HA THR 34 0.326 -6.677 6.161 280 HB THR 34 HB THR 34 -1.247 -4.336 5.045 281 HG1 THR 34 HG1 THR 34 0.632 -3.467 5.771 282 1HG2 THR 34 1HG2 THR 34 -1.262 -5.837 7.713 283 2HG2 THR 34 2HG2 THR 34 -2.235 -4.405 7.352 284 3HG2 THR 34 3HG2 THR 34 -2.526 -5.914 6.465 285 H GLU 35 H GLU 35 -0.601 -5.659 2.822 286 HA GLU 35 HA GLU 35 -2.763 -7.649 2.804 287 1HB GLU 35 1HB GLU 35 -2.028 -5.424 0.849 288 2HB GLU 35 2HB GLU 35 -3.484 -6.403 0.845 289 1HG GLU 35 1HG GLU 35 -2.586 -4.407 2.986 290 2HG GLU 35 2HG GLU 35 -3.861 -4.174 1.802 291 H PHE 36 H PHE 36 0.313 -6.983 1.160 292 HA PHE 36 HA PHE 36 -0.147 -9.397 -0.558 293 1HB PHE 36 1HB PHE 36 1.156 -6.799 -1.399 294 2HB PHE 36 2HB PHE 36 0.886 -8.195 -2.420 295 HD1 PHE 36 HD1 PHE 36 -2.130 -8.655 -1.580 296 HD2 PHE 36 HD2 PHE 36 0.118 -5.159 -2.759 297 HE1 PHE 36 HE1 PHE 36 -4.114 -7.760 -2.760 298 HE2 PHE 36 HE2 PHE 36 -1.875 -4.300 -3.960 299 HZ PHE 36 HZ PHE 36 -3.973 -5.607 -3.977 300 HA PRO 37 HA PRO 37 3.933 -9.207 1.771 301 1HB PRO 37 1HB PRO 37 3.815 -11.641 3.057 302 2HB PRO 37 2HB PRO 37 3.133 -10.127 3.713 303 1HG PRO 37 1HG PRO 37 1.665 -12.304 2.210 304 2HG PRO 37 2HG PRO 37 1.185 -11.503 3.734 305 1HD PRO 37 1HD PRO 37 0.167 -10.731 1.339 306 2HD PRO 37 2HD PRO 37 0.553 -9.512 2.580 307 H SER 38 H SER 38 2.297 -11.564 -0.256 308 HA SER 38 HA SER 38 4.460 -13.315 -0.823 309 1HB SER 38 1HB SER 38 2.006 -13.694 -1.341 310 2HB SER 38 2HB SER 38 2.183 -12.568 -2.707 311 HG SER 38 HG SER 38 2.500 -14.700 -3.389 312 H LEU 39 H LEU 39 3.504 -10.141 -2.163 313 HA LEU 39 HA LEU 39 5.273 -10.183 -4.415 314 1HB LEU 39 1HB LEU 39 3.911 -8.055 -2.758 315 2HB LEU 39 2HB LEU 39 5.093 -7.584 -3.994 316 HG LEU 39 HG LEU 39 2.539 -9.177 -4.496 317 1HD1 LEU 39 3HD1 LEU 39 2.142 -6.820 -3.858 318 2HD1 LEU 39 1HD1 LEU 39 3.307 -6.283 -5.087 319 3HD1 LEU 39 2HD1 LEU 39 1.789 -7.060 -5.570 320 1HD2 LEU 39 3HD2 LEU 39 4.636 -8.051 -6.418 321 2HD2 LEU 39 1HD2 LEU 39 4.173 -9.760 -6.236 322 3HD2 LEU 39 2HD2 LEU 39 3.027 -8.608 -6.912 323 H LEU 40 H LEU 40 5.881 -9.674 -0.976 324 HA LEU 40 HA LEU 40 8.441 -8.356 -1.442 325 1HB LEU 40 1HB LEU 40 7.369 -9.653 1.080 326 2HB LEU 40 2HB LEU 40 8.754 -8.568 0.952 327 HG LEU 40 HG LEU 40 5.845 -7.821 0.371 328 1HD1 LEU 40 1HD1 LEU 40 7.739 -7.043 2.627 329 2HD1 LEU 40 2HD1 LEU 40 6.101 -6.414 2.362 330 3HD1 LEU 40 3HD1 LEU 40 6.335 -8.128 2.758 331 1HD2 LEU 40 3HD2 LEU 40 8.404 -6.161 0.246 332 2HD2 LEU 40 1HD2 LEU 40 7.265 -6.472 -1.086 333 3HD2 LEU 40 2HD2 LEU 40 6.770 -5.472 0.281 334 H LYS 41 H LYS 41 7.492 -11.601 -1.948 335 HA LYS 41 HA LYS 41 9.879 -12.962 -1.193 336 1HB LYS 41 1HB LYS 41 7.925 -13.290 -3.504 337 2HB LYS 41 2HB LYS 41 9.256 -14.394 -3.198 338 1HG LYS 41 1HG LYS 41 8.386 -15.064 -1.058 339 2HG LYS 41 2HG LYS 41 7.192 -13.754 -1.055 340 1HD LYS 41 1HD LYS 41 6.040 -14.738 -2.988 341 2HD LYS 41 2HD LYS 41 7.215 -16.065 -3.053 342 1HE LYS 41 1HE LYS 41 6.476 -16.927 -0.915 343 2HE LYS 41 2HE LYS 41 5.531 -15.465 -0.577 344 1HZ LYS 41 1HZ LYS 41 4.955 -17.354 -2.740 345 2HZ LYS 41 2HZ LYS 41 4.146 -17.246 -1.306 346 3HZ LYS 41 3HZ LYS 41 4.103 -15.986 -2.373 347 H GLY 42 H GLY 42 9.019 -10.955 -3.976 348 1HA GLY 42 1HA GLY 42 11.441 -9.737 -4.337 349 2HA GLY 42 2HA GLY 42 11.660 -11.236 -5.254 350 H GLY 43 H GLY 43 8.773 -9.074 -4.910 351 1HA GLY 43 1HA GLY 43 8.332 -8.965 -7.795 352 2HA GLY 43 2HA GLY 43 7.472 -8.086 -6.519 353 H SER 44 H SER 44 10.796 -8.267 -7.818 354 HA SER 44 HA SER 44 12.431 -6.762 -8.150 355 1HB SER 44 1HB SER 44 10.751 -5.856 -9.805 356 2HB SER 44 2HB SER 44 10.250 -4.689 -8.569 357 HG SER 44 HG SER 44 11.875 -3.907 -10.022 358 H THR 45 H THR 45 12.586 -4.007 -7.434 359 HA THR 45 HA THR 45 12.593 -4.177 -4.446 360 HB THR 45 HB THR 45 13.954 -2.247 -4.412 361 HG1 THR 45 HG1 THR 45 14.549 -1.259 -6.467 362 1HG2 THR 45 3HG2 THR 45 15.098 -4.387 -5.041 363 2HG2 THR 45 1HG2 THR 45 14.975 -3.921 -6.751 364 3HG2 THR 45 2HG2 THR 45 15.936 -2.940 -5.631 365 H LEU 46 H LEU 46 11.609 -2.266 -3.270 366 HA LEU 46 HA LEU 46 8.942 -1.787 -4.176 367 1HB LEU 46 1HB LEU 46 10.583 -0.088 -2.247 368 2HB LEU 46 2HB LEU 46 8.816 -0.291 -2.242 369 HG LEU 46 HG LEU 46 11.013 -2.222 -1.465 370 1HD1 LEU 46 3HD1 LEU 46 10.526 -0.484 0.188 371 2HD1 LEU 46 1HD1 LEU 46 8.799 -0.900 0.154 372 3HD1 LEU 46 2HD1 LEU 46 9.986 -2.063 0.789 373 1HD2 LEU 46 3HD2 LEU 46 7.986 -2.701 -1.478 374 2HD2 LEU 46 1HD2 LEU 46 9.164 -3.548 -2.504 375 3HD2 LEU 46 2HD2 LEU 46 9.177 -3.799 -0.753 376 H ASP 47 H ASP 47 11.894 0.121 -4.087 377 HA ASP 47 HA ASP 47 10.883 2.482 -5.233 378 1HB ASP 47 1HB ASP 47 13.689 1.285 -5.397 379 2HB ASP 47 2HB ASP 47 13.265 2.963 -5.749 380 H GLU 48 H GLU 48 12.400 -0.315 -6.852 381 HA GLU 48 HA GLU 48 12.122 0.849 -9.462 382 1HB GLU 48 1HB GLU 48 13.711 -0.974 -8.781 383 2HB GLU 48 2HB GLU 48 12.351 -2.096 -8.812 384 1HG GLU 48 1HG GLU 48 13.400 -0.381 -11.137 385 2HG GLU 48 2HG GLU 48 13.814 -2.076 -10.873 386 H LEU 49 H LEU 49 10.051 -1.346 -7.540 387 HA LEU 49 HA LEU 49 8.081 -1.738 -9.542 388 1HB LEU 49 1HB LEU 49 8.168 -3.077 -7.500 389 2HB LEU 49 2HB LEU 49 7.819 -1.653 -6.514 390 HG LEU 49 HG LEU 49 5.567 -1.474 -7.515 391 1HD1 LEU 49 1HD1 LEU 49 6.359 -3.999 -9.040 392 2HD1 LEU 49 2HD1 LEU 49 4.701 -3.379 -8.896 393 3HD1 LEU 49 3HD1 LEU 49 5.918 -2.428 -9.749 394 1HD2 LEU 49 1HD2 LEU 49 5.933 -2.809 -5.471 395 2HD2 LEU 49 2HD2 LEU 49 4.625 -3.487 -6.456 396 3HD2 LEU 49 3HD2 LEU 49 6.226 -4.255 -6.460 397 H PHE 50 H PHE 50 8.379 0.740 -7.019 398 HA PHE 50 HA PHE 50 6.082 2.279 -7.561 399 1HB PHE 50 1HB PHE 50 7.610 2.513 -5.617 400 2HB PHE 50 2HB PHE 50 8.835 3.201 -6.661 401 HD1 PHE 50 HD1 PHE 50 8.485 5.513 -7.677 402 HD2 PHE 50 HD2 PHE 50 5.718 3.774 -4.875 403 HE1 PHE 50 HE1 PHE 50 7.725 7.785 -6.994 404 HE2 PHE 50 HE2 PHE 50 5.110 6.018 -4.062 405 HZ PHE 50 HZ PHE 50 6.274 8.025 -4.996 406 H GLU 51 H GLU 51 9.397 2.456 -8.983 407 HA GLU 51 HA GLU 51 8.831 4.526 -10.809 408 1HB GLU 51 1HB GLU 51 11.113 3.484 -10.231 409 2HB GLU 51 2HB GLU 51 10.705 2.207 -11.395 410 1HG GLU 51 1HG GLU 51 10.353 4.013 -13.133 411 2HG GLU 51 2HG GLU 51 10.960 5.190 -11.959 412 H GLU 52 H GLU 52 8.483 1.001 -11.253 413 HA GLU 52 HA GLU 52 7.541 1.047 -13.929 414 1HB GLU 52 1HB GLU 52 6.663 -0.874 -11.737 415 2HB GLU 52 2HB GLU 52 6.336 -1.045 -13.460 416 1HG GLU 52 1HG GLU 52 8.785 -1.103 -13.926 417 2HG GLU 52 2HG GLU 52 9.092 -1.020 -12.189 418 H LEU 53 H LEU 53 5.663 1.387 -10.926 419 HA LEU 53 HA LEU 53 3.117 1.678 -12.226 420 1HB LEU 53 1HB LEU 53 4.052 2.698 -9.519 421 2HB LEU 53 2HB LEU 53 2.385 2.512 -10.060 422 HG LEU 53 HG LEU 53 4.380 0.251 -9.620 423 1HD1 LEU 53 3HD1 LEU 53 3.567 1.346 -7.554 424 2HD1 LEU 53 1HD1 LEU 53 1.896 0.997 -8.065 425 3HD1 LEU 53 2HD1 LEU 53 3.028 -0.330 -7.716 426 1HD2 LEU 53 3HD2 LEU 53 1.464 0.095 -10.393 427 2HD2 LEU 53 1HD2 LEU 53 2.856 -0.380 -11.409 428 3HD2 LEU 53 2HD2 LEU 53 2.516 -1.266 -9.928 429 H ASP 54 H ASP 54 5.346 4.055 -10.856 430 HA ASP 54 HA ASP 54 3.958 6.317 -12.233 431 1HB ASP 54 1HB ASP 54 3.608 6.335 -9.866 432 2HB ASP 54 2HB ASP 54 5.304 5.997 -9.523 433 H LYS 55 H LYS 55 5.434 5.572 -14.049 434 HA LYS 55 HA LYS 55 8.226 5.883 -13.890 435 1HB LYS 55 1HB LYS 55 6.226 6.124 -16.158 436 2HB LYS 55 2HB LYS 55 7.934 6.457 -16.455 437 1HG LYS 55 1HG LYS 55 7.079 3.876 -15.114 438 2HG LYS 55 2HG LYS 55 7.050 4.060 -16.868 439 1HD LYS 55 1HD LYS 55 9.392 4.452 -17.032 440 2HD LYS 55 2HD LYS 55 9.566 4.753 -15.304 441 1HE LYS 55 1HE LYS 55 10.464 2.545 -15.955 442 2HE LYS 55 2HE LYS 55 9.171 2.435 -14.757 443 1HZ LYS 55 1HZ LYS 55 8.847 1.999 -17.645 444 2HZ LYS 55 2HZ LYS 55 8.925 0.820 -16.495 445 3HZ LYS 55 3HZ LYS 55 7.658 1.872 -16.510 446 H ASN 56 H ASN 56 5.883 8.196 -15.117 447 HA ASN 56 HA ASN 56 7.263 10.447 -13.817 448 1HB ASN 56 1HB ASN 56 7.391 11.768 -15.829 449 2HB ASN 56 2HB ASN 56 8.296 10.275 -16.103 450 1HD2 ASN 56 1HD2 ASN 56 6.032 11.089 -19.055 451 2HD2 ASN 56 2HD2 ASN 56 7.197 12.052 -18.161 452 H GLY 57 H GLY 57 4.855 8.937 -13.339 453 1HA GLY 57 1HA GLY 57 2.554 10.099 -14.596 454 2HA GLY 57 2HA GLY 57 2.564 9.167 -13.089 455 H ASP 58 H ASP 58 3.356 10.343 -11.135 456 HA ASP 58 HA ASP 58 3.051 13.296 -11.171 457 1HB ASP 58 1HB ASP 58 0.992 13.056 -10.441 458 2HB ASP 58 2HB ASP 58 1.100 11.326 -10.312 459 H GLY 59 H GLY 59 4.660 10.474 -9.863 460 1HA GLY 59 1HA GLY 59 6.740 10.755 -8.706 461 2HA GLY 59 2HA GLY 59 6.139 12.210 -7.914 462 H GLU 60 H GLU 60 3.531 10.202 -7.851 463 HA GLU 60 HA GLU 60 4.226 8.283 -5.753 464 1HB GLU 60 1HB GLU 60 2.110 10.435 -5.513 465 2HB GLU 60 2HB GLU 60 2.259 9.038 -4.439 466 1HG GLU 60 1HG GLU 60 4.540 9.881 -3.776 467 2HG GLU 60 2HG GLU 60 4.195 11.362 -4.690 468 H VAL 61 H VAL 61 2.018 7.067 -5.368 469 HA VAL 61 HA VAL 61 1.225 6.270 -8.140 470 HB VAL 61 HB VAL 61 1.466 4.738 -5.557 471 1HG1 VAL 61 3HG1 VAL 61 -0.351 3.857 -7.103 472 2HG1 VAL 61 1HG1 VAL 61 0.909 3.607 -8.330 473 3HG1 VAL 61 2HG1 VAL 61 0.977 2.738 -6.787 474 1HG2 VAL 61 3HG2 VAL 61 3.096 4.755 -8.148 475 2HG2 VAL 61 1HG2 VAL 61 3.649 5.328 -6.567 476 3HG2 VAL 61 2HG2 VAL 61 3.344 3.610 -6.830 477 H SER 62 H SER 62 -0.642 7.375 -8.595 478 HA SER 62 HA SER 62 -2.845 7.531 -6.687 479 1HB SER 62 1HB SER 62 -4.052 8.607 -8.483 480 2HB SER 62 2HB SER 62 -2.449 9.327 -8.296 481 HG SER 62 HG SER 62 -1.765 8.259 -10.126 482 H PHE 63 H PHE 63 -5.078 6.703 -7.465 483 HA PHE 63 HA PHE 63 -4.949 3.941 -7.312 484 1HB PHE 63 1HB PHE 63 -6.878 5.233 -6.589 485 2HB PHE 63 2HB PHE 63 -7.309 5.576 -8.269 486 HD1 PHE 63 HD1 PHE 63 -6.507 2.631 -6.044 487 HD2 PHE 63 HD2 PHE 63 -8.904 4.114 -9.306 488 HE1 PHE 63 HE1 PHE 63 -7.723 0.488 -6.118 489 HE2 PHE 63 HE2 PHE 63 -10.149 1.972 -9.346 490 HZ PHE 63 HZ PHE 63 -9.596 0.173 -7.704 491 H GLU 64 H GLU 64 -5.442 5.885 -10.295 492 HA GLU 64 HA GLU 64 -6.001 3.671 -11.943 493 1HB GLU 64 1HB GLU 64 -5.498 5.145 -13.829 494 2HB GLU 64 2HB GLU 64 -6.569 5.824 -12.604 495 1HG GLU 64 1HG GLU 64 -5.280 7.631 -13.171 496 2HG GLU 64 2HG GLU 64 -4.541 7.093 -11.667 497 H GLU 65 H GLU 65 -2.808 5.315 -11.521 498 HA GLU 65 HA GLU 65 -1.407 3.316 -12.969 499 1HB GLU 65 1HB GLU 65 0.641 4.272 -11.977 500 2HB GLU 65 2HB GLU 65 -0.423 5.425 -12.772 501 1HG GLU 65 1HG GLU 65 -1.354 5.943 -10.401 502 2HG GLU 65 2HG GLU 65 0.048 5.063 -9.802 503 H PHE 66 H PHE 66 -2.229 3.464 -9.473 504 HA PHE 66 HA PHE 66 -0.848 1.191 -8.576 505 1HB PHE 66 1HB PHE 66 -2.043 2.423 -7.005 506 2HB PHE 66 2HB PHE 66 -3.498 2.410 -7.953 507 HD1 PHE 66 HD1 PHE 66 -1.429 0.288 -5.710 508 HD2 PHE 66 HD2 PHE 66 -5.124 0.698 -7.881 509 HE1 PHE 66 HE1 PHE 66 -2.432 -1.542 -4.358 510 HE2 PHE 66 HE2 PHE 66 -6.088 -1.207 -6.632 511 HZ PHE 66 HZ PHE 66 -4.761 -2.283 -4.793 512 H GLN 67 H GLN 67 -3.727 1.257 -10.772 513 HA GLN 67 HA GLN 67 -4.208 -1.559 -10.512 514 1HB GLN 67 1HB GLN 67 -4.831 0.289 -12.835 515 2HB GLN 67 2HB GLN 67 -5.355 -1.385 -12.714 516 1HG GLN 67 1HG GLN 67 -6.050 0.769 -10.670 517 2HG GLN 67 2HG GLN 67 -7.106 0.215 -11.971 518 1HE2 GLN 67 1HE2 GLN 67 -7.454 -1.755 -8.596 519 2HE2 GLN 67 2HE2 GLN 67 -6.956 -0.077 -8.744 520 H VAL 68 H VAL 68 -1.583 0.101 -12.145 521 HA VAL 68 HA VAL 68 -0.833 -2.107 -13.844 522 HB VAL 68 HB VAL 68 0.872 0.080 -12.621 523 1HG1 VAL 68 1HG1 VAL 68 1.438 -1.791 -14.955 524 2HG1 VAL 68 2HG1 VAL 68 2.432 -0.399 -14.481 525 3HG1 VAL 68 3HG1 VAL 68 2.284 -1.780 -13.393 526 1HG2 VAL 68 3HG2 VAL 68 -0.464 -0.116 -15.359 527 2HG2 VAL 68 1HG2 VAL 68 -0.939 0.998 -14.062 528 3HG2 VAL 68 2HG2 VAL 68 0.640 1.172 -14.832 529 H LEU 69 H LEU 69 -0.545 -1.409 -10.397 530 HA LEU 69 HA LEU 69 1.454 -3.425 -9.807 531 1HB LEU 69 1HB LEU 69 0.604 -1.314 -8.436 532 2HB LEU 69 2HB LEU 69 -0.621 -2.424 -7.831 533 HG LEU 69 HG LEU 69 2.398 -2.702 -7.567 534 1HD1 LEU 69 3HD1 LEU 69 1.290 -0.965 -6.146 535 2HD1 LEU 69 1HD1 LEU 69 0.209 -2.213 -5.497 536 3HD1 LEU 69 2HD1 LEU 69 1.956 -2.299 -5.187 537 1HD2 LEU 69 3HD2 LEU 69 0.163 -4.553 -6.632 538 2HD2 LEU 69 1HD2 LEU 69 1.555 -4.960 -7.673 539 3HD2 LEU 69 2HD2 LEU 69 1.810 -4.572 -5.972 540 H VAL 70 H VAL 70 -2.121 -3.128 -9.654 541 HA VAL 70 HA VAL 70 -2.647 -5.797 -8.826 542 HB VAL 70 HB VAL 70 -4.401 -4.012 -10.584 543 1HG1 VAL 70 1HG1 VAL 70 -5.097 -6.337 -8.742 544 2HG1 VAL 70 2HG1 VAL 70 -6.261 -5.289 -9.581 545 3HG1 VAL 70 3HG1 VAL 70 -5.197 -6.342 -10.515 546 1HG2 VAL 70 3HG2 VAL 70 -4.103 -4.206 -7.556 547 2HG2 VAL 70 1HG2 VAL 70 -3.804 -2.776 -8.547 548 3HG2 VAL 70 2HG2 VAL 70 -5.450 -3.381 -8.377 549 H LYS 71 H LYS 71 -2.166 -4.432 -12.110 550 HA LYS 71 HA LYS 71 -2.506 -6.853 -13.547 551 1HB LYS 71 1HB LYS 71 -2.419 -4.846 -14.777 552 2HB LYS 71 2HB LYS 71 -0.856 -4.386 -14.091 553 1HG LYS 71 1HG LYS 71 0.317 -6.099 -15.261 554 2HG LYS 71 2HG LYS 71 -1.192 -6.883 -15.773 555 1HD LYS 71 1HD LYS 71 -0.214 -5.680 -17.641 556 2HD LYS 71 2HD LYS 71 -1.756 -4.934 -17.188 557 1HE LYS 71 1HE LYS 71 -0.574 -3.121 -16.015 558 2HE LYS 71 2HE LYS 71 0.989 -3.914 -16.302 559 1HZ LYS 71 1HZ LYS 71 -0.823 -2.872 -18.365 560 2HZ LYS 71 2HZ LYS 71 0.568 -2.157 -17.845 561 3HZ LYS 71 3HZ LYS 71 0.631 -3.598 -18.641 562 H LYS 72 H LYS 72 0.502 -5.458 -12.238 563 HA LYS 72 HA LYS 72 2.239 -7.602 -12.701 564 1HB LYS 72 1HB LYS 72 2.156 -5.402 -10.710 565 2HB LYS 72 2HB LYS 72 2.996 -6.839 -10.149 566 1HG LYS 72 1HG LYS 72 4.588 -5.379 -11.101 567 2HG LYS 72 2HG LYS 72 4.449 -6.798 -12.149 568 1HD LYS 72 1HD LYS 72 3.139 -5.514 -13.783 569 2HD LYS 72 2HD LYS 72 2.973 -4.172 -12.642 570 1HE LYS 72 1HE LYS 72 4.661 -3.640 -14.340 571 2HE LYS 72 2HE LYS 72 5.353 -3.689 -12.711 572 1HZ LYS 72 3HZ LYS 72 6.153 -5.897 -13.197 573 2HZ LYS 72 1HZ LYS 72 5.548 -5.815 -14.730 574 3HZ LYS 72 2HZ LYS 72 6.752 -4.786 -14.253 575 H ILE 73 H ILE 73 0.069 -7.287 -9.897 576 HA ILE 73 HA ILE 73 0.675 -9.832 -8.735 577 HB ILE 73 HB ILE 73 -1.973 -8.313 -8.662 578 1HG1 ILE 73 1HG1 ILE 73 0.384 -8.435 -6.737 579 2HG1 ILE 73 2HG1 ILE 73 -0.094 -7.046 -7.727 580 1HG2 ILE 73 3HG2 ILE 73 -2.280 -10.727 -8.112 581 2HG2 ILE 73 1HG2 ILE 73 -0.993 -10.595 -6.895 582 3HG2 ILE 73 2HG2 ILE 73 -2.521 -9.705 -6.712 583 1HD1 ILE 73 3HD1 ILE 73 -2.284 -6.971 -6.503 584 2HD1 ILE 73 1HD1 ILE 73 -1.618 -8.175 -5.367 585 3HD1 ILE 73 2HD1 ILE 73 -0.839 -6.601 -5.544 586 H SER 74 H SER 74 -1.838 -8.905 -11.045 587 HA SER 74 HA SER 74 -2.660 -11.659 -11.600 588 1HB SER 74 1HB SER 74 -3.343 -9.143 -13.165 589 2HB SER 74 2HB SER 74 -4.261 -10.653 -13.054 590 HG SER 74 HG SER 74 -3.812 -8.689 -11.037 591 H GLN 75 H GLN 75 0.047 -11.557 -11.990 592 HA GLN 75 HA GLN 75 1.815 -11.257 -13.404 593 1HB GLN 75 1HB GLN 75 1.781 -12.966 -15.247 594 2HB GLN 75 2HB GLN 75 1.550 -13.553 -13.609 595 1HG GLN 75 1HG GLN 75 -0.777 -13.040 -15.523 596 2HG GLN 75 2HG GLN 75 0.085 -14.577 -15.446 597 1HE2 GLN 75 1HE2 GLN 75 -1.104 -15.276 -12.030 598 2HE2 GLN 75 2HE2 GLN 75 0.439 -15.232 -12.865 No H/Q in entry = 598 Start of MODEL 17 Raw file had 599 H/Q atoms Start of MODEL 17 1 1H LYS 1 1H LYS 1 -8.811 -10.479 -4.885 2 2H LYS 1 2H LYS 1 -7.741 -9.212 -4.611 3 3H LYS 1 3H LYS 1 -8.022 -10.351 -3.406 4 HA LYS 1 HA LYS 1 -10.267 -9.651 -3.178 5 1HB LYS 1 1HB LYS 1 -8.530 -7.191 -3.093 6 2HB LYS 1 2HB LYS 1 -9.938 -7.632 -2.131 7 1HG LYS 1 1HG LYS 1 -8.232 -7.891 -0.644 8 2HG LYS 1 2HG LYS 1 -8.603 -9.549 -1.143 9 1HD LYS 1 1HD LYS 1 -6.630 -9.630 -2.538 10 2HD LYS 1 2HD LYS 1 -6.385 -7.878 -2.412 11 1HE LYS 1 1HE LYS 1 -5.898 -8.118 0.016 12 2HE LYS 1 2HE LYS 1 -6.129 -9.874 -0.117 13 1HZ LYS 1 1HZ LYS 1 -4.113 -8.297 -1.561 14 2HZ LYS 1 2HZ LYS 1 -3.814 -9.241 -0.251 15 3HZ LYS 1 3HZ LYS 1 -4.312 -9.928 -1.662 16 H SER 2 H SER 2 -11.997 -8.228 -3.948 17 HA SER 2 HA SER 2 -12.050 -7.980 -6.792 18 1HB SER 2 1HB SER 2 -14.226 -6.837 -6.406 19 2HB SER 2 2HB SER 2 -14.085 -8.318 -5.453 20 HG SER 2 HG SER 2 -13.683 -7.112 -3.646 21 HA PRO 3 HA PRO 3 -10.312 -3.923 -7.675 22 1HB PRO 3 1HB PRO 3 -13.065 -3.356 -8.817 23 2HB PRO 3 2HB PRO 3 -11.471 -2.877 -9.473 24 1HG PRO 3 1HG PRO 3 -12.700 -5.066 -10.473 25 2HG PRO 3 2HG PRO 3 -10.964 -5.162 -10.050 26 1HD PRO 3 1HD PRO 3 -13.331 -6.155 -8.462 27 2HD PRO 3 2HD PRO 3 -11.752 -6.943 -8.763 28 H GLU 4 H GLU 4 -13.684 -3.940 -6.433 29 HA GLU 4 HA GLU 4 -13.727 -1.416 -5.191 30 1HB GLU 4 1HB GLU 4 -15.168 -3.950 -4.376 31 2HB GLU 4 2HB GLU 4 -15.542 -2.290 -3.886 32 1HG GLU 4 1HG GLU 4 -16.857 -2.190 -5.680 33 2HG GLU 4 2HG GLU 4 -15.418 -1.987 -6.643 34 H GLU 5 H GLU 5 -12.657 -4.571 -3.954 35 HA GLU 5 HA GLU 5 -12.160 -3.630 -1.237 36 1HB GLU 5 1HB GLU 5 -11.332 -6.114 -2.780 37 2HB GLU 5 2HB GLU 5 -10.798 -5.787 -1.121 38 1HG GLU 5 1HG GLU 5 -13.034 -5.812 -0.267 39 2HG GLU 5 2HG GLU 5 -13.742 -5.823 -1.885 40 H LEU 6 H LEU 6 -10.237 -4.105 -4.180 41 HA LEU 6 HA LEU 6 -7.724 -3.311 -3.065 42 1HB LEU 6 1HB LEU 6 -8.794 -3.215 -5.913 43 2HB LEU 6 2HB LEU 6 -7.143 -2.898 -5.443 44 HG LEU 6 HG LEU 6 -8.649 -5.538 -5.099 45 1HD1 LEU 6 3HD1 LEU 6 -7.794 -4.985 -7.408 46 2HD1 LEU 6 1HD1 LEU 6 -6.158 -4.928 -6.697 47 3HD1 LEU 6 2HD1 LEU 6 -7.073 -6.442 -6.685 48 1HD2 LEU 6 3HD2 LEU 6 -5.834 -4.801 -4.211 49 2HD2 LEU 6 1HD2 LEU 6 -7.168 -5.386 -3.192 50 3HD2 LEU 6 2HD2 LEU 6 -6.449 -6.467 -4.375 51 H LYS 7 H LYS 7 -10.288 -1.403 -4.641 52 HA LYS 7 HA LYS 7 -9.011 1.106 -4.350 53 1HB LYS 7 1HB LYS 7 -11.185 0.603 -5.586 54 2HB LYS 7 2HB LYS 7 -11.991 0.546 -4.033 55 1HG LYS 7 1HG LYS 7 -12.409 2.698 -4.923 56 2HG LYS 7 2HG LYS 7 -11.288 2.907 -3.576 57 1HD LYS 7 1HD LYS 7 -9.394 3.129 -5.204 58 2HD LYS 7 2HD LYS 7 -10.525 2.806 -6.528 59 1HE LYS 7 1HE LYS 7 -10.097 5.167 -6.430 60 2HE LYS 7 2HE LYS 7 -11.776 4.884 -5.945 61 1HZ LYS 7 1HZ LYS 7 -9.509 5.334 -4.125 62 2HZ LYS 7 2HZ LYS 7 -10.657 6.446 -4.525 63 3HZ LYS 7 3HZ LYS 7 -11.077 5.105 -3.665 64 H GLY 8 H GLY 8 -11.043 -0.740 -2.117 65 1HA GLY 8 1HA GLY 8 -11.228 1.102 0.031 66 2HA GLY 8 2HA GLY 8 -11.254 -0.666 0.197 67 H ILE 9 H ILE 9 -8.890 -1.523 -0.480 68 HA ILE 9 HA ILE 9 -6.971 -0.994 1.549 69 HB ILE 9 HB ILE 9 -6.830 -2.220 -1.228 70 1HG1 ILE 9 1HG1 ILE 9 -6.920 -3.336 1.612 71 2HG1 ILE 9 2HG1 ILE 9 -8.232 -3.357 0.424 72 1HG2 ILE 9 3HG2 ILE 9 -4.587 -1.367 -0.697 73 2HG2 ILE 9 1HG2 ILE 9 -4.654 -2.207 0.860 74 3HG2 ILE 9 2HG2 ILE 9 -4.629 -3.118 -0.667 75 1HD1 ILE 9 3HD1 ILE 9 -6.785 -4.779 -1.058 76 2HD1 ILE 9 1HD1 ILE 9 -5.605 -4.881 0.267 77 3HD1 ILE 9 2HD1 ILE 9 -7.232 -5.539 0.483 78 H PHE 10 H PHE 10 -7.001 0.152 -1.862 79 HA PHE 10 HA PHE 10 -4.688 1.672 -1.752 80 1HB PHE 10 1HB PHE 10 -6.009 1.154 -3.795 81 2HB PHE 10 2HB PHE 10 -7.260 2.247 -3.268 82 HD1 PHE 10 HD1 PHE 10 -6.889 4.697 -3.095 83 HD2 PHE 10 HD2 PHE 10 -3.929 2.027 -4.768 84 HE1 PHE 10 HE1 PHE 10 -5.771 6.592 -4.130 85 HE2 PHE 10 HE2 PHE 10 -2.786 3.982 -5.811 86 HZ PHE 10 HZ PHE 10 -3.733 6.240 -5.553 87 H GLU 11 H GLU 11 -8.032 2.692 -0.903 88 HA GLU 11 HA GLU 11 -7.312 5.388 -0.198 89 1HB GLU 11 1HB GLU 11 -9.685 3.640 0.588 90 2HB GLU 11 2HB GLU 11 -9.496 5.334 1.069 91 1HG GLU 11 1HG GLU 11 -9.416 6.043 -1.285 92 2HG GLU 11 2HG GLU 11 -9.541 4.360 -1.819 93 H LYS 12 H LYS 12 -7.882 2.464 1.802 94 HA LYS 12 HA LYS 12 -7.440 3.403 4.361 95 1HB LYS 12 1HB LYS 12 -8.103 1.160 4.077 96 2HB LYS 12 2HB LYS 12 -6.741 0.778 3.008 97 1HG LYS 12 1HG LYS 12 -5.174 0.656 4.686 98 2HG LYS 12 2HG LYS 12 -6.187 1.523 5.866 99 1HD LYS 12 1HD LYS 12 -6.013 -0.912 6.317 100 2HD LYS 12 2HD LYS 12 -7.683 -0.365 6.095 101 1HE LYS 12 1HE LYS 12 -7.790 -1.301 3.867 102 2HE LYS 12 2HE LYS 12 -6.046 -1.608 3.846 103 1HZ LYS 12 1HZ LYS 12 -7.984 -2.913 5.616 104 2HZ LYS 12 2HZ LYS 12 -7.290 -3.580 4.279 105 3HZ LYS 12 3HZ LYS 12 -6.361 -3.202 5.584 106 H TYR 13 H TYR 13 -4.913 2.239 2.091 107 HA TYR 13 HA TYR 13 -2.809 3.006 3.981 108 1HB TYR 13 1HB TYR 13 -2.782 1.865 1.199 109 2HB TYR 13 2HB TYR 13 -1.320 2.297 2.088 110 HD1 TYR 13 HD1 TYR 13 -0.924 1.303 4.377 111 HD2 TYR 13 HD2 TYR 13 -4.068 -0.176 1.883 112 HE1 TYR 13 HE1 TYR 13 -1.041 -0.812 5.721 113 HE2 TYR 13 HE2 TYR 13 -4.011 -2.337 3.000 114 HH TYR 13 HH TYR 13 -3.259 -3.485 4.877 115 H ALA 14 H ALA 14 -3.971 4.313 0.865 116 HA ALA 14 HA ALA 14 -1.984 6.329 0.632 117 1HB ALA 14 3HB ALA 14 -3.547 5.548 -1.199 118 2HB ALA 14 1HB ALA 14 -4.833 6.500 -0.430 119 3HB ALA 14 2HB ALA 14 -3.371 7.286 -1.070 120 H ALA 15 H ALA 15 -5.070 6.412 2.344 121 HA ALA 15 HA ALA 15 -4.894 9.228 3.010 122 1HB ALA 15 3HB ALA 15 -7.038 7.922 3.035 123 2HB ALA 15 1HB ALA 15 -6.397 6.957 4.392 124 3HB ALA 15 2HB ALA 15 -6.699 8.691 4.606 125 H LYS 16 H LYS 16 -3.291 6.369 4.298 126 HA LYS 16 HA LYS 16 -2.966 7.470 6.973 127 1HB LYS 16 1HB LYS 16 -3.159 5.034 6.492 128 2HB LYS 16 2HB LYS 16 -1.624 5.112 5.613 129 1HG LYS 16 1HG LYS 16 -0.441 5.752 7.681 130 2HG LYS 16 2HG LYS 16 -1.981 5.812 8.557 131 1HD LYS 16 1HD LYS 16 -0.790 3.732 9.034 132 2HD LYS 16 2HD LYS 16 -2.314 3.393 8.195 133 1HE LYS 16 1HE LYS 16 -1.128 3.020 6.083 134 2HE LYS 16 2HE LYS 16 0.405 3.552 6.801 135 1HZ LYS 16 1HZ LYS 16 -1.150 1.187 7.592 136 2HZ LYS 16 2HZ LYS 16 0.230 1.186 6.691 137 3HZ LYS 16 3HZ LYS 16 0.276 1.666 8.267 138 H GLU 17 H GLU 17 -2.247 9.471 5.935 139 HA GLU 17 HA GLU 17 -0.960 11.031 5.274 140 1HB GLU 17 1HB GLU 17 1.312 11.279 5.688 141 2HB GLU 17 2HB GLU 17 0.351 10.954 7.141 142 1HG GLU 17 1HG GLU 17 1.206 8.659 7.276 143 2HG GLU 17 2HG GLU 17 2.100 8.855 5.761 144 H GLY 18 H GLY 18 -0.952 11.488 3.379 145 1HA GLY 18 1HA GLY 18 0.616 11.161 1.182 146 2HA GLY 18 2HA GLY 18 -0.380 9.675 1.198 147 H ASP 19 H ASP 19 -1.559 10.572 -0.733 148 HA ASP 19 HA ASP 19 -3.637 12.566 0.102 149 1HB ASP 19 1HB ASP 19 -2.265 13.274 -1.863 150 2HB ASP 19 2HB ASP 19 -2.746 11.794 -2.701 151 HA PRO 20 HA PRO 20 -6.040 8.784 0.249 152 1HB PRO 20 1HB PRO 20 -8.551 9.733 -0.589 153 2HB PRO 20 2HB PRO 20 -7.907 9.755 1.081 154 1HG PRO 20 1HG PRO 20 -7.879 11.961 -0.983 155 2HG PRO 20 2HG PRO 20 -8.260 12.090 0.759 156 1HD PRO 20 1HD PRO 20 -5.850 12.807 -0.167 157 2HD PRO 20 2HD PRO 20 -5.945 11.867 1.347 158 H ASN 21 H ASN 21 -5.911 10.765 -2.699 159 HA ASN 21 HA ASN 21 -7.023 8.656 -4.418 160 1HB ASN 21 1HB ASN 21 -5.883 11.399 -5.064 161 2HB ASN 21 2HB ASN 21 -6.797 10.343 -6.132 162 1HD2 ASN 21 1HD2 ASN 21 -8.730 12.771 -3.497 163 2HD2 ASN 21 2HD2 ASN 21 -6.974 12.628 -3.482 164 H GLN 22 H GLN 22 -3.952 9.267 -3.032 165 HA GLN 22 HA GLN 22 -2.532 7.995 -5.255 166 1HB GLN 22 1HB GLN 22 -2.870 10.559 -5.608 167 2HB GLN 22 2HB GLN 22 -1.660 10.725 -4.338 168 1HG GLN 22 1HG GLN 22 -0.160 9.227 -5.778 169 2HG GLN 22 2HG GLN 22 -1.463 9.117 -6.926 170 1HE2 GLN 22 1HE2 GLN 22 0.306 12.806 -6.773 171 2HE2 GLN 22 2HE2 GLN 22 0.045 11.964 -5.243 172 H LEU 23 H LEU 23 -1.161 6.518 -4.390 173 HA LEU 23 HA LEU 23 -0.740 6.495 -1.526 174 1HB LEU 23 1HB LEU 23 0.295 4.692 -3.733 175 2HB LEU 23 2HB LEU 23 0.627 4.512 -2.035 176 HG LEU 23 HG LEU 23 -2.253 4.578 -2.855 177 1HD1 LEU 23 3HD1 LEU 23 -1.149 2.928 -4.366 178 2HD1 LEU 23 1HD1 LEU 23 -0.407 2.161 -2.946 179 3HD1 LEU 23 2HD1 LEU 23 -2.163 2.119 -3.144 180 1HD2 LEU 23 1HD2 LEU 23 -1.380 4.517 -0.419 181 2HD2 LEU 23 2HD2 LEU 23 -2.487 3.201 -0.862 182 3HD2 LEU 23 3HD2 LEU 23 -0.738 2.918 -0.762 183 H SER 24 H SER 24 0.997 7.227 -0.428 184 HA SER 24 HA SER 24 3.441 8.189 -1.637 185 1HB SER 24 1HB SER 24 3.793 8.126 1.078 186 2HB SER 24 2HB SER 24 2.873 9.400 0.252 187 HG SER 24 HG SER 24 1.730 8.306 2.050 188 H LYS 25 H LYS 25 5.540 7.243 -1.015 189 HA LYS 25 HA LYS 25 5.672 4.606 -1.861 190 1HB LYS 25 1HB LYS 25 7.454 6.475 -1.875 191 2HB LYS 25 2HB LYS 25 7.872 5.923 -0.246 192 1HG LYS 25 1HG LYS 25 8.046 3.551 -1.355 193 2HG LYS 25 2HG LYS 25 8.035 4.402 -2.880 194 1HD LYS 25 1HD LYS 25 10.051 4.948 -0.663 195 2HD LYS 25 2HD LYS 25 10.335 3.889 -2.054 196 1HE LYS 25 1HE LYS 25 9.955 5.781 -3.614 197 2HE LYS 25 2HE LYS 25 9.693 6.870 -2.239 198 1HZ LYS 25 3HZ LYS 25 11.914 6.409 -1.517 199 2HZ LYS 25 1HZ LYS 25 12.177 5.410 -2.801 200 3HZ LYS 25 2HZ LYS 25 11.906 7.016 -3.048 201 H GLU 26 H GLU 26 5.986 5.817 1.496 202 HA GLU 26 HA GLU 26 6.579 3.257 2.634 203 1HB GLU 26 1HB GLU 26 5.281 5.671 3.966 204 2HB GLU 26 2HB GLU 26 6.065 4.306 4.775 205 1HG GLU 26 1HG GLU 26 7.415 6.314 2.902 206 2HG GLU 26 2HG GLU 26 7.530 6.205 4.652 207 H GLU 27 H GLU 27 3.616 5.093 2.209 208 HA GLU 27 HA GLU 27 1.811 3.229 3.351 209 1HB GLU 27 1HB GLU 27 1.473 5.351 1.215 210 2HB GLU 27 2HB GLU 27 0.133 4.331 1.748 211 1HG GLU 27 1HG GLU 27 0.284 6.504 2.999 212 2HG GLU 27 2HG GLU 27 0.301 5.064 4.014 213 H LEU 28 H LEU 28 2.852 3.428 -0.154 214 HA LEU 28 HA LEU 28 1.819 0.920 -0.902 215 1HB LEU 28 1HB LEU 28 4.305 2.440 -1.725 216 2HB LEU 28 2HB LEU 28 4.019 0.822 -2.370 217 HG LEU 28 HG LEU 28 1.772 2.744 -2.326 218 1HD1 LEU 28 3HD1 LEU 28 3.653 4.065 -3.199 219 2HD1 LEU 28 1HD1 LEU 28 3.924 2.806 -4.446 220 3HD1 LEU 28 2HD1 LEU 28 2.415 3.760 -4.419 221 1HD2 LEU 28 3HD2 LEU 28 2.709 0.622 -4.340 222 2HD2 LEU 28 1HD2 LEU 28 1.396 0.417 -3.167 223 3HD2 LEU 28 2HD2 LEU 28 1.222 1.565 -4.511 224 H LYS 29 H LYS 29 4.901 1.492 0.801 225 HA LYS 29 HA LYS 29 5.694 -1.234 0.658 226 1HB LYS 29 1HB LYS 29 7.037 0.772 1.428 227 2HB LYS 29 2HB LYS 29 6.153 0.752 2.922 228 1HG LYS 29 1HG LYS 29 7.028 -1.580 3.403 229 2HG LYS 29 2HG LYS 29 7.915 -1.486 1.877 230 1HD LYS 29 1HD LYS 29 9.553 -0.883 3.355 231 2HD LYS 29 2HD LYS 29 8.953 0.714 2.876 232 1HE LYS 29 1HE LYS 29 8.074 -0.778 5.408 233 2HE LYS 29 2HE LYS 29 9.430 0.355 5.349 234 1HZ LYS 29 3HZ LYS 29 7.950 2.074 4.672 235 2HZ LYS 29 1HZ LYS 29 6.654 1.048 4.742 236 3HZ LYS 29 2HZ LYS 29 7.485 1.423 6.108 237 H LEU 30 H LEU 30 3.928 0.444 3.215 238 HA LEU 30 HA LEU 30 3.399 -1.900 4.764 239 1HB LEU 30 1HB LEU 30 2.155 0.860 4.595 240 2HB LEU 30 2HB LEU 30 1.271 -0.392 5.454 241 HG LEU 30 HG LEU 30 2.604 1.027 6.938 242 1HD1 LEU 30 3HD1 LEU 30 1.961 -1.302 7.559 243 2HD1 LEU 30 1HD1 LEU 30 3.552 -1.863 7.002 244 3HD1 LEU 30 2HD1 LEU 30 3.437 -0.730 8.354 245 1HD2 LEU 30 1HD2 LEU 30 4.570 1.442 5.541 246 2HD2 LEU 30 2HD2 LEU 30 5.029 0.769 7.111 247 3HD2 LEU 30 3HD2 LEU 30 5.052 -0.267 5.673 248 H LEU 31 H LEU 31 1.446 -0.394 2.237 249 HA LEU 31 HA LEU 31 -0.726 -2.177 2.218 250 1HB LEU 31 1HB LEU 31 -0.518 -0.083 0.920 251 2HB LEU 31 2HB LEU 31 0.634 -0.846 -0.163 252 HG LEU 31 HG LEU 31 -2.202 -1.847 0.215 253 1HD1 LEU 31 1HD1 LEU 31 -1.067 0.079 -1.859 254 2HD1 LEU 31 2HD1 LEU 31 -2.695 -0.619 -1.924 255 3HD1 LEU 31 3HD1 LEU 31 -2.259 0.480 -0.606 256 1HD2 LEU 31 3HD2 LEU 31 -0.094 -2.351 -1.936 257 2HD2 LEU 31 1HD2 LEU 31 -0.862 -3.545 -0.866 258 3HD2 LEU 31 2HD2 LEU 31 -1.809 -2.766 -2.121 259 H LEU 32 H LEU 32 2.298 -2.356 0.372 260 HA LEU 32 HA LEU 32 1.828 -4.856 -0.882 261 1HB LEU 32 1HB LEU 32 4.409 -3.459 -0.047 262 2HB LEU 32 2HB LEU 32 4.411 -4.966 -0.959 263 HG LEU 32 HG LEU 32 2.908 -2.537 -1.996 264 1HD1 LEU 32 1HD1 LEU 32 5.836 -3.251 -2.464 265 2HD1 LEU 32 2HD1 LEU 32 4.918 -1.989 -3.322 266 3HD1 LEU 32 3HD1 LEU 32 5.242 -1.824 -1.594 267 1HD2 LEU 32 3HD2 LEU 32 4.165 -4.964 -3.343 268 2HD2 LEU 32 1HD2 LEU 32 2.428 -4.709 -3.058 269 3HD2 LEU 32 2HD2 LEU 32 3.311 -3.640 -4.160 270 H GLN 33 H GLN 33 3.753 -4.180 2.089 271 HA GLN 33 HA GLN 33 4.348 -6.849 2.715 272 1HB GLN 33 1HB GLN 33 5.536 -5.042 3.705 273 2HB GLN 33 2HB GLN 33 4.083 -4.318 4.360 274 1HG GLN 33 1HG GLN 33 5.100 -7.055 5.263 275 2HG GLN 33 2HG GLN 33 5.669 -5.543 5.987 276 1HE2 GLN 33 1HE2 GLN 33 2.185 -4.724 7.052 277 2HE2 GLN 33 2HE2 GLN 33 3.583 -3.942 6.327 278 H THR 34 H THR 34 1.613 -4.907 3.895 279 HA THR 34 HA THR 34 0.670 -7.060 5.552 280 HB THR 34 HB THR 34 -0.913 -4.632 4.654 281 HG1 THR 34 HG1 THR 34 0.930 -3.830 5.447 282 1HG2 THR 34 1HG2 THR 34 -0.973 -6.323 7.197 283 2HG2 THR 34 2HG2 THR 34 -1.936 -4.861 6.910 284 3HG2 THR 34 3HG2 THR 34 -2.219 -6.310 5.928 285 H GLU 35 H GLU 35 -0.433 -5.778 2.354 286 HA GLU 35 HA GLU 35 -2.687 -7.641 2.347 287 1HB GLU 35 1HB GLU 35 -1.839 -5.456 0.396 288 2HB GLU 35 2HB GLU 35 -3.357 -6.320 0.395 289 1HG GLU 35 1HG GLU 35 -2.276 -4.415 2.535 290 2HG GLU 35 2HG GLU 35 -3.547 -4.085 1.370 291 H PHE 36 H PHE 36 0.397 -7.174 0.669 292 HA PHE 36 HA PHE 36 -0.095 -9.638 -0.945 293 1HB PHE 36 1HB PHE 36 0.891 -6.965 -1.988 294 2HB PHE 36 2HB PHE 36 0.778 -8.448 -2.912 295 HD1 PHE 36 HD1 PHE 36 -1.631 -9.544 -3.096 296 HD2 PHE 36 HD2 PHE 36 -0.896 -5.434 -2.071 297 HE1 PHE 36 HE1 PHE 36 -3.655 -8.862 -4.381 298 HE2 PHE 36 HE2 PHE 36 -2.923 -4.754 -3.377 299 HZ PHE 36 HZ PHE 36 -4.189 -6.465 -4.642 300 HA PRO 37 HA PRO 37 4.193 -9.315 0.954 301 1HB PRO 37 1HB PRO 37 4.239 -11.795 2.149 302 2HB PRO 37 2HB PRO 37 3.619 -10.315 2.934 303 1HG PRO 37 1HG PRO 37 2.019 -12.456 1.521 304 2HG PRO 37 2HG PRO 37 1.696 -11.714 3.116 305 1HD PRO 37 1HD PRO 37 0.423 -10.893 0.864 306 2HD PRO 37 2HD PRO 37 0.898 -9.702 2.096 307 H SER 38 H SER 38 2.361 -11.408 -1.144 308 HA SER 38 HA SER 38 4.226 -13.190 -2.273 309 1HB SER 38 1HB SER 38 2.585 -12.577 -4.280 310 2HB SER 38 2HB SER 38 1.978 -13.464 -2.866 311 HG SER 38 HG SER 38 0.649 -11.650 -3.404 312 H LEU 39 H LEU 39 3.298 -9.830 -3.025 313 HA LEU 39 HA LEU 39 5.077 -9.517 -5.257 314 1HB LEU 39 1HB LEU 39 3.648 -7.615 -3.393 315 2HB LEU 39 2HB LEU 39 4.628 -7.024 -4.747 316 HG LEU 39 HG LEU 39 2.168 -8.813 -5.002 317 1HD1 LEU 39 1HD1 LEU 39 2.658 -5.864 -5.622 318 2HD1 LEU 39 2HD1 LEU 39 1.190 -6.755 -6.049 319 3HD1 LEU 39 3HD1 LEU 39 1.606 -6.515 -4.346 320 1HD2 LEU 39 3HD2 LEU 39 3.977 -7.567 -7.123 321 2HD2 LEU 39 1HD2 LEU 39 3.647 -9.299 -6.884 322 3HD2 LEU 39 2HD2 LEU 39 2.367 -8.234 -7.454 323 H LEU 40 H LEU 40 5.712 -9.358 -1.814 324 HA LEU 40 HA LEU 40 8.211 -7.857 -2.196 325 1HB LEU 40 1HB LEU 40 7.291 -9.523 0.168 326 2HB LEU 40 2HB LEU 40 8.712 -8.481 0.101 327 HG LEU 40 HG LEU 40 5.798 -7.587 -0.023 328 1HD1 LEU 40 1HD1 LEU 40 8.066 -7.187 1.986 329 2HD1 LEU 40 2HD1 LEU 40 6.482 -6.408 2.079 330 3HD1 LEU 40 3HD1 LEU 40 6.606 -8.176 2.215 331 1HD2 LEU 40 3HD2 LEU 40 8.354 -5.949 -0.330 332 2HD2 LEU 40 1HD2 LEU 40 7.020 -6.086 -1.502 333 3HD2 LEU 40 2HD2 LEU 40 6.760 -5.258 0.033 334 H LYS 41 H LYS 41 7.232 -11.203 -2.684 335 HA LYS 41 HA LYS 41 9.955 -12.210 -2.547 336 1HB LYS 41 1HB LYS 41 7.662 -13.343 -4.140 337 2HB LYS 41 2HB LYS 41 9.092 -14.150 -3.538 338 1HG LYS 41 1HG LYS 41 8.348 -13.867 -1.192 339 2HG LYS 41 2HG LYS 41 6.856 -13.094 -1.749 340 1HD LYS 41 1HD LYS 41 6.248 -15.130 -3.018 341 2HD LYS 41 2HD LYS 41 7.724 -15.932 -2.443 342 1HE LYS 41 1HE LYS 41 6.952 -15.683 -0.093 343 2HE LYS 41 2HE LYS 41 5.483 -14.863 -0.654 344 1HZ LYS 41 1HZ LYS 41 6.256 -17.622 -1.302 345 2HZ LYS 41 2HZ LYS 41 5.102 -17.168 -0.216 346 3HZ LYS 41 3HZ LYS 41 4.890 -16.860 -1.821 347 H GLY 42 H GLY 42 11.161 -12.582 -4.457 348 1HA GLY 42 1HA GLY 42 12.153 -11.851 -6.463 349 2HA GLY 42 2HA GLY 42 10.599 -11.169 -6.982 350 H GLY 43 H GLY 43 9.861 -9.285 -5.437 351 1HA GLY 43 1HA GLY 43 10.118 -7.354 -4.309 352 2HA GLY 43 2HA GLY 43 11.721 -7.905 -3.828 353 H SER 44 H SER 44 13.235 -7.836 -6.123 354 HA SER 44 HA SER 44 14.653 -6.458 -7.021 355 1HB SER 44 1HB SER 44 13.944 -5.057 -8.668 356 2HB SER 44 2HB SER 44 12.768 -6.356 -8.667 357 HG SER 44 HG SER 44 11.429 -4.889 -7.333 358 H THR 45 H THR 45 12.824 -3.519 -6.619 359 HA THR 45 HA THR 45 13.739 -3.128 -3.871 360 HB THR 45 HB THR 45 14.668 -0.929 -4.203 361 HG1 THR 45 HG1 THR 45 15.169 -0.349 -6.471 362 1HG2 THR 45 3HG2 THR 45 16.243 -2.856 -4.360 363 2HG2 THR 45 1HG2 THR 45 16.084 -2.818 -6.130 364 3HG2 THR 45 2HG2 THR 45 16.786 -1.437 -5.269 365 H LEU 46 H LEU 46 12.287 -1.856 -2.735 366 HA LEU 46 HA LEU 46 9.673 -1.431 -3.620 367 1HB LEU 46 1HB LEU 46 10.342 -1.288 -1.248 368 2HB LEU 46 2HB LEU 46 11.426 0.062 -1.614 369 HG LEU 46 HG LEU 46 9.472 1.495 -2.177 370 1HD1 LEU 46 1HD1 LEU 46 7.841 -0.881 -1.154 371 2HD1 LEU 46 2HD1 LEU 46 7.205 0.747 -1.464 372 3HD1 LEU 46 3HD1 LEU 46 7.810 -0.231 -2.808 373 1HD2 LEU 46 1HD2 LEU 46 10.491 1.530 0.051 374 2HD2 LEU 46 2HD2 LEU 46 8.743 1.792 0.159 375 3HD2 LEU 46 3HD2 LEU 46 9.430 0.203 0.569 376 H ASP 47 H ASP 47 12.492 0.711 -3.806 377 HA ASP 47 HA ASP 47 11.255 2.937 -4.958 378 1HB ASP 47 1HB ASP 47 14.074 1.848 -5.396 379 2HB ASP 47 2HB ASP 47 13.536 3.498 -5.740 380 H GLU 48 H GLU 48 12.835 0.193 -6.624 381 HA GLU 48 HA GLU 48 12.251 1.086 -9.243 382 1HB GLU 48 1HB GLU 48 13.854 -0.731 -8.755 383 2HB GLU 48 2HB GLU 48 12.532 -1.772 -8.203 384 1HG GLU 48 1HG GLU 48 13.229 -2.369 -10.465 385 2HG GLU 48 2HG GLU 48 11.571 -1.774 -10.491 386 H LEU 49 H LEU 49 10.397 -1.046 -7.076 387 HA LEU 49 HA LEU 49 8.274 -1.499 -8.906 388 1HB LEU 49 1HB LEU 49 8.649 -2.855 -6.906 389 2HB LEU 49 2HB LEU 49 8.259 -1.481 -5.864 390 HG LEU 49 HG LEU 49 5.935 -1.489 -6.629 391 1HD1 LEU 49 1HD1 LEU 49 6.777 -3.816 -8.421 392 2HD1 LEU 49 2HD1 LEU 49 5.096 -3.359 -8.074 393 3HD1 LEU 49 3HD1 LEU 49 6.139 -2.245 -8.959 394 1HD2 LEU 49 1HD2 LEU 49 6.655 -2.966 -4.759 395 2HD2 LEU 49 2HD2 LEU 49 5.267 -3.632 -5.644 396 3HD2 LEU 49 3HD2 LEU 49 6.892 -4.296 -5.909 397 H PHE 50 H PHE 50 8.693 0.974 -6.407 398 HA PHE 50 HA PHE 50 6.227 2.332 -6.697 399 1HB PHE 50 1HB PHE 50 7.758 2.671 -4.818 400 2HB PHE 50 2HB PHE 50 9.001 3.291 -5.884 401 HD1 PHE 50 HD1 PHE 50 5.767 4.065 -4.279 402 HD2 PHE 50 HD2 PHE 50 9.084 5.585 -6.564 403 HE1 PHE 50 HE1 PHE 50 5.062 6.363 -3.746 404 HE2 PHE 50 HE2 PHE 50 8.541 7.872 -5.788 405 HZ PHE 50 HZ PHE 50 6.648 8.217 -4.215 406 H GLU 51 H GLU 51 9.377 2.894 -8.349 407 HA GLU 51 HA GLU 51 8.487 5.048 -9.982 408 1HB GLU 51 1HB GLU 51 10.664 2.948 -10.356 409 2HB GLU 51 2HB GLU 51 10.446 4.328 -11.440 410 1HG GLU 51 1HG GLU 51 10.949 5.915 -9.728 411 2HG GLU 51 2HG GLU 51 10.814 4.720 -8.439 412 H GLU 52 H GLU 52 8.617 1.552 -10.601 413 HA GLU 52 HA GLU 52 7.571 1.570 -13.211 414 1HB GLU 52 1HB GLU 52 8.572 -0.420 -12.334 415 2HB GLU 52 2HB GLU 52 7.438 -0.489 -10.986 416 1HG GLU 52 1HG GLU 52 6.949 -2.205 -12.656 417 2HG GLU 52 2HG GLU 52 5.595 -1.100 -12.433 418 H LEU 53 H LEU 53 5.821 1.491 -10.106 419 HA LEU 53 HA LEU 53 3.220 1.400 -11.388 420 1HB LEU 53 1HB LEU 53 4.102 2.107 -8.569 421 2HB LEU 53 2HB LEU 53 2.435 1.904 -9.106 422 HG LEU 53 HG LEU 53 4.528 -0.303 -9.189 423 1HD1 LEU 53 3HD1 LEU 53 3.917 0.386 -6.887 424 2HD1 LEU 53 1HD1 LEU 53 2.201 0.134 -7.279 425 3HD1 LEU 53 2HD1 LEU 53 3.332 -1.239 -7.281 426 1HD2 LEU 53 3HD2 LEU 53 1.547 -0.360 -9.762 427 2HD2 LEU 53 1HD2 LEU 53 2.880 -0.709 -10.895 428 3HD2 LEU 53 2HD2 LEU 53 2.586 -1.791 -9.543 429 H ASP 54 H ASP 54 5.132 4.009 -9.940 430 HA ASP 54 HA ASP 54 3.138 6.050 -10.529 431 1HB ASP 54 1HB ASP 54 4.508 6.337 -8.552 432 2HB ASP 54 2HB ASP 54 5.970 6.226 -9.517 433 H LYS 55 H LYS 55 3.100 5.192 -12.820 434 HA LYS 55 HA LYS 55 5.059 6.044 -14.734 435 1HB LYS 55 1HB LYS 55 2.081 5.510 -14.871 436 2HB LYS 55 2HB LYS 55 3.003 6.009 -16.292 437 1HG LYS 55 1HG LYS 55 3.916 3.641 -14.610 438 2HG LYS 55 2HG LYS 55 2.658 3.473 -15.837 439 1HD LYS 55 1HD LYS 55 4.143 4.359 -17.581 440 2HD LYS 55 2HD LYS 55 5.454 4.567 -16.412 441 1HE LYS 55 1HE LYS 55 4.146 1.878 -17.045 442 2HE LYS 55 2HE LYS 55 5.610 2.487 -17.834 443 1HZ LYS 55 3HZ LYS 55 6.674 2.573 -15.710 444 2HZ LYS 55 1HZ LYS 55 5.332 1.996 -14.952 445 3HZ LYS 55 2HZ LYS 55 6.140 1.048 -16.027 446 H ASN 56 H ASN 56 2.411 7.723 -13.107 447 HA ASN 56 HA ASN 56 2.310 9.980 -14.781 448 1HB ASN 56 1HB ASN 56 0.821 10.882 -13.378 449 2HB ASN 56 2HB ASN 56 0.728 9.234 -12.775 450 1HD2 ASN 56 1HD2 ASN 56 1.736 10.319 -9.505 451 2HD2 ASN 56 2HD2 ASN 56 1.040 9.025 -10.465 452 H GLY 57 H GLY 57 4.421 9.347 -11.993 453 1HA GLY 57 1HA GLY 57 6.679 9.930 -12.093 454 2HA GLY 57 2HA GLY 57 6.331 11.346 -13.082 455 H ASP 58 H ASP 58 4.006 11.722 -10.763 456 HA ASP 58 HA ASP 58 5.563 13.801 -9.599 457 1HB ASP 58 1HB ASP 58 3.594 14.599 -8.725 458 2HB ASP 58 2HB ASP 58 3.101 13.864 -10.240 459 H GLY 59 H GLY 59 5.935 10.703 -8.694 460 1HA GLY 59 1HA GLY 59 7.102 9.932 -6.890 461 2HA GLY 59 2HA GLY 59 7.012 11.523 -6.125 462 H GLU 60 H GLU 60 4.177 9.686 -7.253 463 HA GLU 60 HA GLU 60 3.714 8.206 -4.858 464 1HB GLU 60 1HB GLU 60 1.818 10.485 -5.581 465 2HB GLU 60 2HB GLU 60 1.469 9.195 -4.406 466 1HG GLU 60 1HG GLU 60 3.387 10.085 -3.020 467 2HG GLU 60 2HG GLU 60 3.359 11.516 -4.074 468 H VAL 61 H VAL 61 1.690 6.847 -5.283 469 HA VAL 61 HA VAL 61 1.437 6.401 -8.235 470 HB VAL 61 HB VAL 61 0.978 4.450 -5.981 471 1HG1 VAL 61 3HG1 VAL 61 -0.228 4.003 -8.172 472 2HG1 VAL 61 1HG1 VAL 61 1.369 4.028 -8.967 473 3HG1 VAL 61 2HG1 VAL 61 0.974 2.789 -7.741 474 1HG2 VAL 61 1HG2 VAL 61 3.423 5.097 -6.166 475 2HG2 VAL 61 2HG2 VAL 61 3.107 3.423 -6.660 476 3HG2 VAL 61 3HG2 VAL 61 3.351 4.658 -7.885 477 H SER 62 H SER 62 -0.469 7.209 -9.074 478 HA SER 62 HA SER 62 -2.858 7.589 -7.493 479 1HB SER 62 1HB SER 62 -2.956 7.674 -10.460 480 2HB SER 62 2HB SER 62 -3.493 8.881 -9.285 481 HG SER 62 HG SER 62 -1.361 9.636 -9.197 482 H PHE 63 H PHE 63 -4.925 6.570 -7.769 483 HA PHE 63 HA PHE 63 -4.847 3.830 -7.671 484 1HB PHE 63 1HB PHE 63 -6.733 5.157 -6.873 485 2HB PHE 63 2HB PHE 63 -7.248 5.457 -8.533 486 HD1 PHE 63 HD1 PHE 63 -6.440 2.654 -6.155 487 HD2 PHE 63 HD2 PHE 63 -8.746 3.870 -9.585 488 HE1 PHE 63 HE1 PHE 63 -7.651 0.505 -6.092 489 HE2 PHE 63 HE2 PHE 63 -9.972 1.717 -9.507 490 HZ PHE 63 HZ PHE 63 -9.489 0.067 -7.692 491 H GLU 64 H GLU 64 -5.621 5.758 -10.574 492 HA GLU 64 HA GLU 64 -6.273 3.628 -12.271 493 1HB GLU 64 1HB GLU 64 -5.856 5.226 -14.088 494 2HB GLU 64 2HB GLU 64 -6.914 5.836 -12.808 495 1HG GLU 64 1HG GLU 64 -3.988 6.532 -12.623 496 2HG GLU 64 2HG GLU 64 -4.952 7.299 -13.882 497 H GLU 65 H GLU 65 -3.067 4.727 -11.260 498 HA GLU 65 HA GLU 65 -1.802 3.036 -13.377 499 1HB GLU 65 1HB GLU 65 0.295 4.083 -12.723 500 2HB GLU 65 2HB GLU 65 -0.898 5.194 -13.404 501 1HG GLU 65 1HG GLU 65 -1.470 6.031 -11.173 502 2HG GLU 65 2HG GLU 65 -0.342 4.880 -10.426 503 H PHE 66 H PHE 66 -2.329 3.278 -9.877 504 HA PHE 66 HA PHE 66 -0.800 1.074 -9.002 505 1HB PHE 66 1HB PHE 66 -1.911 2.347 -7.374 506 2HB PHE 66 2HB PHE 66 -3.405 2.323 -8.258 507 HD1 PHE 66 HD1 PHE 66 -1.250 0.023 -6.203 508 HD2 PHE 66 HD2 PHE 66 -5.127 0.868 -7.861 509 HE1 PHE 66 HE1 PHE 66 -2.224 -1.883 -4.930 510 HE2 PHE 66 HE2 PHE 66 -6.047 -1.164 -6.806 511 HZ PHE 66 HZ PHE 66 -4.629 -2.435 -5.159 512 H GLN 67 H GLN 67 -3.703 1.152 -11.059 513 HA GLN 67 HA GLN 67 -4.341 -1.577 -11.023 514 1HB GLN 67 1HB GLN 67 -4.301 0.167 -13.508 515 2HB GLN 67 2HB GLN 67 -5.177 -1.350 -13.279 516 1HG GLN 67 1HG GLN 67 -5.731 1.317 -11.975 517 2HG GLN 67 2HG GLN 67 -6.788 0.360 -13.004 518 1HE2 GLN 67 1HE2 GLN 67 -6.891 -0.124 -8.990 519 2HE2 GLN 67 2HE2 GLN 67 -6.081 1.199 -9.819 520 H VAL 68 H VAL 68 -1.359 -0.195 -12.280 521 HA VAL 68 HA VAL 68 -0.551 -2.452 -13.850 522 HB VAL 68 HB VAL 68 1.059 -0.366 -12.342 523 1HG1 VAL 68 1HG1 VAL 68 1.964 -2.399 -14.424 524 2HG1 VAL 68 2HG1 VAL 68 2.929 -1.023 -13.847 525 3HG1 VAL 68 3HG1 VAL 68 2.498 -2.320 -12.730 526 1HG2 VAL 68 1HG2 VAL 68 -0.389 0.515 -14.203 527 2HG2 VAL 68 2HG2 VAL 68 1.334 0.646 -14.567 528 3HG2 VAL 68 3HG2 VAL 68 0.367 -0.647 -15.304 529 H LEU 69 H LEU 69 -0.616 -1.848 -10.340 530 HA LEU 69 HA LEU 69 1.028 -4.153 -9.646 531 1HB LEU 69 1HB LEU 69 0.740 -2.198 -8.163 532 2HB LEU 69 2HB LEU 69 -0.979 -2.534 -7.987 533 HG LEU 69 HG LEU 69 1.028 -4.659 -7.239 534 1HD1 LEU 69 1HD1 LEU 69 0.197 -2.254 -5.557 535 2HD1 LEU 69 2HD1 LEU 69 1.005 -3.699 -4.921 536 3HD1 LEU 69 3HD1 LEU 69 1.839 -2.669 -6.096 537 1HD2 LEU 69 3HD2 LEU 69 -1.724 -3.876 -6.134 538 2HD2 LEU 69 1HD2 LEU 69 -1.403 -5.280 -7.150 539 3HD2 LEU 69 2HD2 LEU 69 -0.718 -5.203 -5.533 540 H VAL 70 H VAL 70 -2.460 -3.338 -9.840 541 HA VAL 70 HA VAL 70 -3.471 -5.876 -9.098 542 HB VAL 70 HB VAL 70 -4.746 -3.930 -11.068 543 1HG1 VAL 70 1HG1 VAL 70 -5.924 -6.042 -9.217 544 2HG1 VAL 70 2HG1 VAL 70 -6.853 -4.885 -10.192 545 3HG1 VAL 70 3HG1 VAL 70 -5.867 -6.115 -10.990 546 1HG2 VAL 70 3HG2 VAL 70 -4.701 -3.993 -8.022 547 2HG2 VAL 70 1HG2 VAL 70 -4.192 -2.661 -9.050 548 3HG2 VAL 70 2HG2 VAL 70 -5.903 -3.078 -8.961 549 H LYS 71 H LYS 71 -2.469 -4.641 -12.299 550 HA LYS 71 HA LYS 71 -2.995 -6.951 -13.834 551 1HB LYS 71 1HB LYS 71 -2.502 -4.901 -14.899 552 2HB LYS 71 2HB LYS 71 -0.947 -4.734 -14.083 553 1HG LYS 71 1HG LYS 71 -0.050 -6.685 -15.254 554 2HG LYS 71 2HG LYS 71 -1.579 -6.885 -16.134 555 1HD LYS 71 1HD LYS 71 0.292 -4.458 -16.237 556 2HD LYS 71 2HD LYS 71 0.194 -5.741 -17.453 557 1HE LYS 71 1HE LYS 71 -2.219 -5.127 -17.851 558 2HE LYS 71 2HE LYS 71 -2.013 -3.749 -16.750 559 1HZ LYS 71 3HZ LYS 71 -0.305 -2.924 -18.184 560 2HZ LYS 71 1HZ LYS 71 -0.497 -4.195 -19.217 561 3HZ LYS 71 2HZ LYS 71 -1.720 -3.112 -19.005 562 H LYS 72 H LYS 72 0.067 -6.018 -12.255 563 HA LYS 72 HA LYS 72 1.459 -8.423 -12.688 564 1HB LYS 72 1HB LYS 72 1.659 -6.287 -10.578 565 2HB LYS 72 2HB LYS 72 2.405 -7.842 -10.233 566 1HG LYS 72 1HG LYS 72 4.108 -6.552 -11.161 567 2HG LYS 72 2HG LYS 72 3.655 -7.731 -12.396 568 1HD LYS 72 1HD LYS 72 2.267 -5.913 -13.507 569 2HD LYS 72 2HD LYS 72 2.859 -4.788 -12.267 570 1HE LYS 72 1HE LYS 72 5.208 -5.235 -12.986 571 2HE LYS 72 2HE LYS 72 4.599 -6.316 -14.256 572 1HZ LYS 72 3HZ LYS 72 3.441 -4.437 -15.190 573 2HZ LYS 72 1HZ LYS 72 4.040 -3.441 -14.020 574 3HZ LYS 72 2HZ LYS 72 5.060 -4.149 -15.098 575 H ILE 73 H ILE 73 -0.757 -7.729 -10.003 576 HA ILE 73 HA ILE 73 -0.555 -10.275 -8.718 577 HB ILE 73 HB ILE 73 -2.812 -8.249 -8.849 578 1HG1 ILE 73 1HG1 ILE 73 -0.735 -7.519 -7.687 579 2HG1 ILE 73 2HG1 ILE 73 -2.180 -7.562 -6.678 580 1HG2 ILE 73 1HG2 ILE 73 -2.709 -10.795 -7.216 581 2HG2 ILE 73 2HG2 ILE 73 -3.768 -9.415 -6.847 582 3HG2 ILE 73 3HG2 ILE 73 -3.948 -10.271 -8.376 583 1HD1 ILE 73 3HD1 ILE 73 -1.373 -9.745 -5.710 584 2HD1 ILE 73 1HD1 ILE 73 0.120 -9.562 -6.663 585 3HD1 ILE 73 2HD1 ILE 73 -0.309 -8.366 -5.426 586 H SER 74 H SER 74 -2.794 -9.124 -11.199 587 HA SER 74 HA SER 74 -3.879 -10.092 -12.882 588 1HB SER 74 1HB SER 74 -1.679 -11.139 -13.320 589 2HB SER 74 2HB SER 74 -2.175 -12.575 -12.410 590 HG SER 74 HG SER 74 -2.539 -12.717 -14.701 591 H GLN 75 H GLN 75 -3.480 -12.707 -10.528 592 HA GLN 75 HA GLN 75 -5.943 -14.009 -10.938 593 1HB GLN 75 1HB GLN 75 -5.484 -15.119 -8.807 594 2HB GLN 75 2HB GLN 75 -4.014 -14.953 -9.769 595 1HG GLN 75 1HG GLN 75 -3.811 -12.674 -8.274 596 2HG GLN 75 2HG GLN 75 -4.760 -13.658 -7.167 597 1HE2 GLN 75 1HE2 GLN 75 -0.812 -14.520 -7.958 598 2HE2 GLN 75 2HE2 GLN 75 -1.678 -13.321 -8.913 No H/Q in entry = 598 Start of MODEL 18 Raw file had 599 H/Q atoms Start of MODEL 18 1 1H LYS 1 1H LYS 1 -6.718 -10.623 -4.589 2 2H LYS 1 2H LYS 1 -5.844 -9.200 -4.398 3 3H LYS 1 3H LYS 1 -6.124 -10.198 -3.074 4 HA LYS 1 HA LYS 1 -8.462 -9.797 -3.203 5 1HB LYS 1 1HB LYS 1 -6.574 -7.405 -3.046 6 2HB LYS 1 2HB LYS 1 -8.293 -7.250 -2.788 7 1HG LYS 1 1HG LYS 1 -7.711 -7.575 -0.625 8 2HG LYS 1 2HG LYS 1 -7.924 -9.271 -1.070 9 1HD LYS 1 1HD LYS 1 -5.430 -9.294 -1.643 10 2HD LYS 1 2HD LYS 1 -5.327 -7.680 -0.920 11 1HE LYS 1 1HE LYS 1 -6.153 -10.282 0.459 12 2HE LYS 1 2HE LYS 1 -4.629 -9.410 0.683 13 1HZ LYS 1 1HZ LYS 1 -7.294 -8.391 1.389 14 2HZ LYS 1 2HZ LYS 1 -6.176 -8.985 2.439 15 3HZ LYS 1 3HZ LYS 1 -5.871 -7.591 1.624 16 H SER 2 H SER 2 -10.205 -8.477 -4.155 17 HA SER 2 HA SER 2 -10.111 -8.522 -7.044 18 1HB SER 2 1HB SER 2 -12.457 -7.663 -6.757 19 2HB SER 2 2HB SER 2 -12.136 -9.094 -5.766 20 HG SER 2 HG SER 2 -13.118 -7.526 -4.482 21 HA PRO 3 HA PRO 3 -9.019 -4.188 -7.825 22 1HB PRO 3 1HB PRO 3 -11.725 -4.046 -9.179 23 2HB PRO 3 2HB PRO 3 -10.168 -3.352 -9.718 24 1HG PRO 3 1HG PRO 3 -11.016 -5.687 -10.792 25 2HG PRO 3 2HG PRO 3 -9.315 -5.539 -10.257 26 1HD PRO 3 1HD PRO 3 -11.617 -6.851 -8.804 27 2HD PRO 3 2HD PRO 3 -9.938 -7.429 -9.026 28 H GLU 4 H GLU 4 -12.394 -4.879 -6.833 29 HA GLU 4 HA GLU 4 -13.009 -2.405 -5.626 30 1HB GLU 4 1HB GLU 4 -14.659 -4.155 -6.201 31 2HB GLU 4 2HB GLU 4 -13.990 -5.209 -4.943 32 1HG GLU 4 1HG GLU 4 -14.663 -3.562 -3.206 33 2HG GLU 4 2HG GLU 4 -15.280 -2.485 -4.472 34 H GLU 5 H GLU 5 -11.646 -5.386 -4.174 35 HA GLU 5 HA GLU 5 -11.503 -4.215 -1.525 36 1HB GLU 5 1HB GLU 5 -10.319 -6.659 -2.859 37 2HB GLU 5 2HB GLU 5 -9.878 -6.217 -1.194 38 1HG GLU 5 1HG GLU 5 -12.738 -6.677 -2.167 39 2HG GLU 5 2HG GLU 5 -11.739 -7.903 -1.374 40 H LEU 6 H LEU 6 -9.279 -4.508 -4.260 41 HA LEU 6 HA LEU 6 -7.016 -3.358 -3.020 42 1HB LEU 6 1HB LEU 6 -7.907 -3.568 -5.912 43 2HB LEU 6 2HB LEU 6 -6.424 -2.797 -5.457 44 HG LEU 6 HG LEU 6 -7.120 -5.576 -4.407 45 1HD1 LEU 6 3HD1 LEU 6 -7.168 -5.766 -6.871 46 2HD1 LEU 6 1HD1 LEU 6 -5.533 -5.067 -6.928 47 3HD1 LEU 6 2HD1 LEU 6 -5.795 -6.620 -6.129 48 1HD2 LEU 6 3HD2 LEU 6 -4.464 -4.128 -4.891 49 2HD2 LEU 6 1HD2 LEU 6 -5.181 -4.460 -3.296 50 3HD2 LEU 6 2HD2 LEU 6 -4.631 -5.785 -4.327 51 H LYS 7 H LYS 7 -9.753 -1.786 -4.707 52 HA LYS 7 HA LYS 7 -8.763 0.856 -4.341 53 1HB LYS 7 1HB LYS 7 -10.763 0.228 -5.715 54 2HB LYS 7 2HB LYS 7 -11.669 -0.089 -4.253 55 1HG LYS 7 1HG LYS 7 -12.264 2.062 -5.159 56 2HG LYS 7 2HG LYS 7 -11.572 2.226 -3.545 57 1HD LYS 7 1HD LYS 7 -9.418 2.976 -4.499 58 2HD LYS 7 2HD LYS 7 -10.034 2.720 -6.140 59 1HE LYS 7 1HE LYS 7 -11.176 4.704 -4.119 60 2HE LYS 7 2HE LYS 7 -10.042 5.101 -5.420 61 1HZ LYS 7 3HZ LYS 7 -11.675 4.340 -6.992 62 2HZ LYS 7 1HZ LYS 7 -12.745 4.020 -5.779 63 3HZ LYS 7 2HZ LYS 7 -12.262 5.569 -6.063 64 H GLY 8 H GLY 8 -10.769 -1.167 -2.247 65 1HA GLY 8 1HA GLY 8 -11.224 0.665 -0.124 66 2HA GLY 8 2HA GLY 8 -11.123 -1.097 0.068 67 H ILE 9 H ILE 9 -8.667 -1.756 -0.466 68 HA ILE 9 HA ILE 9 -6.906 -1.100 1.665 69 HB ILE 9 HB ILE 9 -6.536 -2.277 -1.101 70 1HG1 ILE 9 1HG1 ILE 9 -6.624 -3.516 1.689 71 2HG1 ILE 9 2HG1 ILE 9 -7.972 -3.502 0.549 72 1HG2 ILE 9 3HG2 ILE 9 -4.389 -1.293 -0.343 73 2HG2 ILE 9 1HG2 ILE 9 -4.512 -2.248 1.146 74 3HG2 ILE 9 2HG2 ILE 9 -4.321 -3.039 -0.434 75 1HD1 ILE 9 3HD1 ILE 9 -6.596 -4.796 -1.075 76 2HD1 ILE 9 1HD1 ILE 9 -5.302 -4.894 0.143 77 3HD1 ILE 9 2HD1 ILE 9 -6.872 -5.642 0.463 78 H PHE 10 H PHE 10 -6.829 0.036 -1.758 79 HA PHE 10 HA PHE 10 -4.605 1.670 -1.549 80 1HB PHE 10 1HB PHE 10 -5.789 1.082 -3.663 81 2HB PHE 10 2HB PHE 10 -7.119 2.110 -3.206 82 HD1 PHE 10 HD1 PHE 10 -6.829 4.598 -3.009 83 HD2 PHE 10 HD2 PHE 10 -3.774 2.008 -4.635 84 HE1 PHE 10 HE1 PHE 10 -5.693 6.530 -3.960 85 HE2 PHE 10 HE2 PHE 10 -2.612 4.001 -5.575 86 HZ PHE 10 HZ PHE 10 -3.530 6.256 -5.182 87 H GLU 11 H GLU 11 -8.035 2.483 -0.893 88 HA GLU 11 HA GLU 11 -7.560 5.217 -0.161 89 1HB GLU 11 1HB GLU 11 -9.818 3.288 0.511 90 2HB GLU 11 2HB GLU 11 -9.824 5.008 0.932 91 1HG GLU 11 1HG GLU 11 -9.675 5.660 -1.411 92 2HG GLU 11 2HG GLU 11 -9.510 3.980 -1.928 93 H LYS 12 H LYS 12 -8.013 2.258 1.850 94 HA LYS 12 HA LYS 12 -7.711 3.308 4.403 95 1HB LYS 12 1HB LYS 12 -8.260 1.030 4.202 96 2HB LYS 12 2HB LYS 12 -6.857 0.657 3.196 97 1HG LYS 12 1HG LYS 12 -5.342 0.630 4.932 98 2HG LYS 12 2HG LYS 12 -6.342 1.689 5.955 99 1HD LYS 12 1HD LYS 12 -6.607 -0.237 7.095 100 2HD LYS 12 2HD LYS 12 -8.029 -0.304 6.062 101 1HE LYS 12 1HE LYS 12 -5.376 -1.790 5.699 102 2HE LYS 12 2HE LYS 12 -6.918 -2.487 6.207 103 1HZ LYS 12 3HZ LYS 12 -7.815 -1.879 4.060 104 2HZ LYS 12 1HZ LYS 12 -6.336 -1.311 3.597 105 3HZ LYS 12 2HZ LYS 12 -6.534 -2.913 3.929 106 H TYR 13 H TYR 13 -5.083 2.277 2.197 107 HA TYR 13 HA TYR 13 -3.055 3.095 4.132 108 1HB TYR 13 1HB TYR 13 -2.963 1.957 1.352 109 2HB TYR 13 2HB TYR 13 -1.518 2.502 2.210 110 HD1 TYR 13 HD1 TYR 13 -1.000 1.607 4.484 111 HD2 TYR 13 HD2 TYR 13 -4.137 -0.170 2.145 112 HE1 TYR 13 HE1 TYR 13 -1.004 -0.401 5.957 113 HE2 TYR 13 HE2 TYR 13 -4.005 -2.211 3.431 114 HH TYR 13 HH TYR 13 -1.815 -2.638 6.193 115 H ALA 14 H ALA 14 -4.075 4.330 0.963 116 HA ALA 14 HA ALA 14 -2.384 6.554 0.735 117 1HB ALA 14 1HB ALA 14 -5.259 6.275 -0.196 118 2HB ALA 14 2HB ALA 14 -4.101 7.485 -0.775 119 3HB ALA 14 3HB ALA 14 -3.815 5.772 -1.108 120 H ALA 15 H ALA 15 -5.434 6.334 2.526 121 HA ALA 15 HA ALA 15 -5.893 8.955 3.266 122 1HB ALA 15 3HB ALA 15 -7.262 7.057 4.028 123 2HB ALA 15 1HB ALA 15 -5.942 6.516 5.092 124 3HB ALA 15 2HB ALA 15 -6.757 8.063 5.401 125 H LYS 16 H LYS 16 -3.297 6.823 4.558 126 HA LYS 16 HA LYS 16 -2.501 8.627 6.661 127 1HB LYS 16 1HB LYS 16 -1.139 6.318 5.272 128 2HB LYS 16 2HB LYS 16 -0.450 7.140 6.672 129 1HG LYS 16 1HG LYS 16 -1.972 6.274 8.161 130 2HG LYS 16 2HG LYS 16 -3.292 6.243 7.002 131 1HD LYS 16 1HD LYS 16 -2.572 3.975 7.707 132 2HD LYS 16 2HD LYS 16 -2.570 4.257 5.969 133 1HE LYS 16 1HE LYS 16 -0.592 2.957 6.762 134 2HE LYS 16 2HE LYS 16 -0.149 4.429 5.900 135 1HZ LYS 16 3HZ LYS 16 0.163 5.500 8.027 136 2HZ LYS 16 1HZ LYS 16 -0.226 4.111 8.826 137 3HZ LYS 16 2HZ LYS 16 1.130 4.177 7.889 138 H GLU 17 H GLU 17 -1.829 8.593 3.207 139 HA GLU 17 HA GLU 17 0.556 10.256 3.334 140 1HB GLU 17 1HB GLU 17 -0.199 8.853 1.329 141 2HB GLU 17 2HB GLU 17 -1.486 10.040 1.078 142 1HG GLU 17 1HG GLU 17 0.312 11.833 0.902 143 2HG GLU 17 2HG GLU 17 1.518 10.546 0.993 144 H GLY 18 H GLY 18 -2.907 10.698 3.702 145 1HA GLY 18 1HA GLY 18 -3.843 12.742 4.543 146 2HA GLY 18 2HA GLY 18 -2.679 13.686 3.596 147 H ASP 19 H ASP 19 -2.712 12.281 1.174 148 HA ASP 19 HA ASP 19 -5.317 13.097 0.093 149 1HB ASP 19 1HB ASP 19 -3.367 13.914 -1.041 150 2HB ASP 19 2HB ASP 19 -2.757 12.267 -1.271 151 HA PRO 20 HA PRO 20 -6.260 8.566 0.464 152 1HB PRO 20 1HB PRO 20 -8.835 8.732 -0.553 153 2HB PRO 20 2HB PRO 20 -8.399 8.963 1.174 154 1HG PRO 20 1HG PRO 20 -8.855 11.038 -0.981 155 2HG PRO 20 2HG PRO 20 -9.452 11.060 0.705 156 1HD PRO 20 1HD PRO 20 -7.317 12.479 -0.030 157 2HD PRO 20 2HD PRO 20 -7.291 11.616 1.538 158 H ASN 21 H ASN 21 -6.428 10.684 -2.335 159 HA ASN 21 HA ASN 21 -6.973 8.606 -4.267 160 1HB ASN 21 1HB ASN 21 -5.882 11.412 -4.650 161 2HB ASN 21 2HB ASN 21 -6.571 10.364 -5.882 162 1HD2 ASN 21 1HD2 ASN 21 -9.015 12.574 -3.507 163 2HD2 ASN 21 2HD2 ASN 21 -7.271 12.567 -3.263 164 H GLN 22 H GLN 22 -4.093 9.272 -2.485 165 HA GLN 22 HA GLN 22 -2.403 8.151 -4.665 166 1HB GLN 22 1HB GLN 22 -2.584 10.574 -4.899 167 2HB GLN 22 2HB GLN 22 -1.993 10.796 -3.252 168 1HG GLN 22 1HG GLN 22 0.194 9.957 -3.883 169 2HG GLN 22 2HG GLN 22 -0.423 9.336 -5.427 170 1HE2 GLN 22 1HE2 GLN 22 0.651 13.257 -5.180 171 2HE2 GLN 22 2HE2 GLN 22 0.836 12.191 -3.796 172 H LEU 23 H LEU 23 -0.796 6.802 -4.028 173 HA LEU 23 HA LEU 23 -0.288 6.417 -1.134 174 1HB LEU 23 1HB LEU 23 0.332 4.740 -3.578 175 2HB LEU 23 2HB LEU 23 0.777 4.370 -1.935 176 HG LEU 23 HG LEU 23 -2.128 4.687 -2.765 177 1HD1 LEU 23 1HD1 LEU 23 -0.392 2.188 -2.603 178 2HD1 LEU 23 2HD1 LEU 23 -2.139 2.189 -2.873 179 3HD1 LEU 23 3HD1 LEU 23 -1.047 2.884 -4.098 180 1HD2 LEU 23 1HD2 LEU 23 -1.566 4.757 -0.301 181 2HD2 LEU 23 2HD2 LEU 23 -2.587 3.384 -0.761 182 3HD2 LEU 23 3HD2 LEU 23 -0.858 3.137 -0.461 183 H SER 24 H SER 24 1.675 6.998 -0.307 184 HA SER 24 HA SER 24 3.925 7.834 -1.974 185 1HB SER 24 1HB SER 24 4.991 8.273 0.160 186 2HB SER 24 2HB SER 24 3.317 8.828 0.281 187 HG SER 24 HG SER 24 3.266 7.548 1.961 188 H LYS 25 H LYS 25 6.142 6.721 -1.331 189 HA LYS 25 HA LYS 25 6.104 3.925 -1.861 190 1HB LYS 25 1HB LYS 25 8.180 5.684 -0.443 191 2HB LYS 25 2HB LYS 25 8.421 3.971 -0.809 192 1HG LYS 25 1HG LYS 25 8.086 4.442 -3.227 193 2HG LYS 25 2HG LYS 25 8.014 6.178 -2.853 194 1HD LYS 25 1HD LYS 25 10.325 6.003 -1.863 195 2HD LYS 25 2HD LYS 25 10.336 4.277 -2.252 196 1HE LYS 25 1HE LYS 25 11.576 5.405 -3.975 197 2HE LYS 25 2HE LYS 25 10.053 4.856 -4.692 198 1HZ LYS 25 3HZ LYS 25 9.206 7.076 -4.394 199 2HZ LYS 25 1HZ LYS 25 10.639 7.578 -3.750 200 3HZ LYS 25 2HZ LYS 25 10.567 7.078 -5.321 201 H GLU 26 H GLU 26 5.952 5.771 1.192 202 HA GLU 26 HA GLU 26 6.406 3.444 2.837 203 1HB GLU 26 1HB GLU 26 5.054 6.095 3.616 204 2HB GLU 26 2HB GLU 26 5.807 4.911 4.695 205 1HG GLU 26 1HG GLU 26 7.978 5.321 3.438 206 2HG GLU 26 2HG GLU 26 7.202 6.695 2.641 207 H GLU 27 H GLU 27 3.546 5.257 1.851 208 HA GLU 27 HA GLU 27 1.656 3.546 3.189 209 1HB GLU 27 1HB GLU 27 1.445 5.414 0.832 210 2HB GLU 27 2HB GLU 27 0.127 4.309 1.230 211 1HG GLU 27 1HG GLU 27 -0.289 6.454 2.298 212 2HG GLU 27 2HG GLU 27 -0.083 5.147 3.467 213 H LEU 28 H LEU 28 3.027 3.309 -0.209 214 HA LEU 28 HA LEU 28 1.838 0.781 -0.701 215 1HB LEU 28 1HB LEU 28 4.366 2.130 -1.681 216 2HB LEU 28 2HB LEU 28 4.021 0.459 -2.157 217 HG LEU 28 HG LEU 28 1.908 2.548 -2.336 218 1HD1 LEU 28 1HD1 LEU 28 4.027 2.014 -4.437 219 2HD1 LEU 28 2HD1 LEU 28 2.534 2.947 -4.709 220 3HD1 LEU 28 3HD1 LEU 28 3.731 3.537 -3.541 221 1HD2 LEU 28 1HD2 LEU 28 1.262 0.131 -2.737 222 2HD2 LEU 28 2HD2 LEU 28 1.080 1.079 -4.219 223 3HD2 LEU 28 3HD2 LEU 28 2.492 0.033 -4.005 224 H LYS 29 H LYS 29 4.854 1.476 1.045 225 HA LYS 29 HA LYS 29 5.599 -1.281 1.127 226 1HB LYS 29 1HB LYS 29 7.020 0.746 1.720 227 2HB LYS 29 2HB LYS 29 6.118 0.924 3.203 228 1HG LYS 29 1HG LYS 29 6.868 -1.323 3.964 229 2HG LYS 29 2HG LYS 29 7.751 -1.546 2.441 230 1HD LYS 29 1HD LYS 29 9.148 0.452 2.970 231 2HD LYS 29 2HD LYS 29 8.291 0.647 4.507 232 1HE LYS 29 1HE LYS 29 9.948 -1.793 3.685 233 2HE LYS 29 2HE LYS 29 10.480 -0.504 4.775 234 1HZ LYS 29 3HZ LYS 29 8.696 -1.094 6.252 235 2HZ LYS 29 1HZ LYS 29 8.226 -2.322 5.255 236 3HZ LYS 29 2HZ LYS 29 9.701 -2.373 5.988 237 H LEU 30 H LEU 30 3.835 0.712 3.437 238 HA LEU 30 HA LEU 30 3.234 -1.429 5.251 239 1HB LEU 30 1HB LEU 30 1.704 1.144 4.703 240 2HB LEU 30 2HB LEU 30 1.394 0.077 6.079 241 HG LEU 30 HG LEU 30 4.076 1.456 5.571 242 1HD1 LEU 30 3HD1 LEU 30 2.273 3.084 6.015 243 2HD1 LEU 30 1HD1 LEU 30 1.828 2.178 7.483 244 3HD1 LEU 30 2HD1 LEU 30 3.408 2.984 7.372 245 1HD2 LEU 30 3HD2 LEU 30 2.981 -0.076 7.974 246 2HD2 LEU 30 1HD2 LEU 30 4.354 -0.553 6.951 247 3HD2 LEU 30 2HD2 LEU 30 4.475 0.881 7.970 248 H LEU 31 H LEU 31 1.354 -0.170 2.535 249 HA LEU 31 HA LEU 31 -0.869 -1.882 2.634 250 1HB LEU 31 1HB LEU 31 -0.549 0.041 1.126 251 2HB LEU 31 2HB LEU 31 0.622 -0.868 0.180 252 HG LEU 31 HG LEU 31 -2.249 -1.740 0.541 253 1HD1 LEU 31 1HD1 LEU 31 -0.978 -0.027 -1.640 254 2HD1 LEU 31 2HD1 LEU 31 -2.621 -0.680 -1.719 255 3HD1 LEU 31 3HD1 LEU 31 -2.204 0.506 -0.472 256 1HD2 LEU 31 3HD2 LEU 31 -0.091 -2.503 -1.483 257 2HD2 LEU 31 1HD2 LEU 31 -0.933 -3.586 -0.349 258 3HD2 LEU 31 2HD2 LEU 31 -1.811 -2.880 -1.694 259 H LEU 32 H LEU 32 2.196 -2.366 0.922 260 HA LEU 32 HA LEU 32 1.626 -5.005 -0.009 261 1HB LEU 32 1HB LEU 32 4.259 -3.587 0.605 262 2HB LEU 32 2HB LEU 32 4.167 -5.162 -0.184 263 HG LEU 32 HG LEU 32 2.731 -2.752 -1.365 264 1HD1 LEU 32 1HD1 LEU 32 5.597 -3.662 -1.908 265 2HD1 LEU 32 2HD1 LEU 32 4.710 -2.407 -2.800 266 3HD1 LEU 32 3HD1 LEU 32 5.134 -2.150 -1.101 267 1HD2 LEU 32 1HD2 LEU 32 2.128 -4.997 -2.228 268 2HD2 LEU 32 2HD2 LEU 32 2.980 -4.021 -3.439 269 3HD2 LEU 32 3HD2 LEU 32 3.852 -5.296 -2.564 270 H GLN 33 H GLN 33 3.504 -3.903 2.871 271 HA GLN 33 HA GLN 33 4.161 -6.420 3.845 272 1HB GLN 33 1HB GLN 33 5.102 -4.292 4.656 273 2HB GLN 33 2HB GLN 33 3.559 -3.874 5.417 274 1HG GLN 33 1HG GLN 33 3.756 -5.723 6.984 275 2HG GLN 33 2HG GLN 33 5.184 -6.351 6.147 276 1HE2 GLN 33 1HE2 GLN 33 7.392 -3.830 7.468 277 2HE2 GLN 33 2HE2 GLN 33 7.126 -4.834 6.047 278 H THR 34 H THR 34 1.214 -4.558 4.512 279 HA THR 34 HA THR 34 0.253 -6.567 6.388 280 HB THR 34 HB THR 34 -1.538 -4.564 5.033 281 HG1 THR 34 HG1 THR 34 0.357 -3.448 5.781 282 1HG2 THR 34 3HG2 THR 34 -2.516 -6.230 6.623 283 2HG2 THR 34 1HG2 THR 34 -1.410 -5.648 7.884 284 3HG2 THR 34 2HG2 THR 34 -2.663 -4.576 7.235 285 H GLU 35 H GLU 35 -0.643 -5.672 2.987 286 HA GLU 35 HA GLU 35 -2.738 -7.715 2.991 287 1HB GLU 35 1HB GLU 35 -1.948 -5.546 0.992 288 2HB GLU 35 2HB GLU 35 -3.388 -6.567 0.922 289 1HG GLU 35 1HG GLU 35 -2.649 -4.492 3.050 290 2HG GLU 35 2HG GLU 35 -3.861 -4.325 1.801 291 H PHE 36 H PHE 36 0.453 -7.243 1.602 292 HA PHE 36 HA PHE 36 0.310 -9.847 0.184 293 1HB PHE 36 1HB PHE 36 1.083 -7.222 -1.127 294 2HB PHE 36 2HB PHE 36 1.183 -8.832 -1.829 295 HD1 PHE 36 HD1 PHE 36 -1.005 -10.212 -2.040 296 HD2 PHE 36 HD2 PHE 36 -0.865 -5.936 -1.496 297 HE1 PHE 36 HE1 PHE 36 -3.215 -10.001 -3.161 298 HE2 PHE 36 HE2 PHE 36 -3.073 -5.738 -2.671 299 HZ PHE 36 HZ PHE 36 -4.252 -7.794 -3.440 300 HA PRO 37 HA PRO 37 4.322 -8.831 2.398 301 1HB PRO 37 1HB PRO 37 4.647 -11.257 3.675 302 2HB PRO 37 2HB PRO 37 3.734 -9.871 4.336 303 1HG PRO 37 1HG PRO 37 2.625 -12.256 2.841 304 2HG PRO 37 2HG PRO 37 2.040 -11.555 4.379 305 1HD PRO 37 1HD PRO 37 0.855 -10.949 2.036 306 2HD PRO 37 2HD PRO 37 1.107 -9.662 3.246 307 H SER 38 H SER 38 3.202 -11.193 0.077 308 HA SER 38 HA SER 38 5.738 -12.339 -0.700 309 1HB SER 38 1HB SER 38 4.222 -12.688 -2.801 310 2HB SER 38 2HB SER 38 3.724 -13.480 -1.292 311 HG SER 38 HG SER 38 1.974 -12.334 -2.251 312 H LEU 39 H LEU 39 3.511 -9.977 -2.110 313 HA LEU 39 HA LEU 39 5.294 -8.914 -4.022 314 1HB LEU 39 1HB LEU 39 2.880 -7.617 -2.761 315 2HB LEU 39 2HB LEU 39 3.694 -7.028 -4.222 316 HG LEU 39 HG LEU 39 2.369 -9.754 -3.946 317 1HD1 LEU 39 3HD1 LEU 39 0.784 -7.782 -3.989 318 2HD1 LEU 39 1HD1 LEU 39 1.484 -7.308 -5.546 319 3HD1 LEU 39 2HD1 LEU 39 0.628 -8.858 -5.385 320 1HD2 LEU 39 3HD2 LEU 39 3.663 -8.384 -6.343 321 2HD2 LEU 39 1HD2 LEU 39 4.146 -9.927 -5.598 322 3HD2 LEU 39 2HD2 LEU 39 2.609 -9.807 -6.451 323 H LEU 40 H LEU 40 4.888 -8.032 -0.631 324 HA LEU 40 HA LEU 40 6.429 -5.681 -0.578 325 1HB LEU 40 1HB LEU 40 5.353 -6.706 1.448 326 2HB LEU 40 2HB LEU 40 6.569 -7.989 1.392 327 HG LEU 40 HG LEU 40 8.367 -6.193 1.669 328 1HD1 LEU 40 1HD1 LEU 40 5.936 -4.486 2.354 329 2HD1 LEU 40 2HD1 LEU 40 7.626 -4.058 2.688 330 3HD1 LEU 40 3HD1 LEU 40 7.067 -4.200 1.017 331 1HD2 LEU 40 1HD2 LEU 40 7.663 -7.659 3.494 332 2HD2 LEU 40 2HD2 LEU 40 8.072 -6.034 4.069 333 3HD2 LEU 40 3HD2 LEU 40 6.373 -6.521 3.924 334 H LYS 41 H LYS 41 7.557 -9.055 -0.809 335 HA LYS 41 HA LYS 41 10.380 -8.303 -0.900 336 1HB LYS 41 1HB LYS 41 9.004 -10.914 -1.685 337 2HB LYS 41 2HB LYS 41 10.717 -10.630 -1.417 338 1HG LYS 41 1HG LYS 41 10.265 -10.074 0.962 339 2HG LYS 41 2HG LYS 41 8.536 -10.381 0.701 340 1HD LYS 41 1HD LYS 41 9.096 -12.714 -0.047 341 2HD LYS 41 2HD LYS 41 10.778 -12.431 0.432 342 1HE LYS 41 1HE LYS 41 8.319 -12.279 2.254 343 2HE LYS 41 2HE LYS 41 9.479 -13.617 2.190 344 1HZ LYS 41 3HZ LYS 41 11.182 -12.093 2.902 345 2HZ LYS 41 1HZ LYS 41 10.092 -10.860 2.988 346 3HZ LYS 41 2HZ LYS 41 9.949 -12.156 3.993 347 H GLY 42 H GLY 42 7.896 -9.525 -3.105 348 1HA GLY 42 1HA GLY 42 7.343 -8.976 -5.264 349 2HA GLY 42 2HA GLY 42 8.400 -7.568 -5.121 350 H GLY 43 H GLY 43 10.851 -8.241 -5.144 351 1HA GLY 43 1HA GLY 43 11.968 -10.418 -6.329 352 2HA GLY 43 2HA GLY 43 11.346 -9.530 -7.735 353 H SER 44 H SER 44 11.780 -6.967 -7.430 354 HA SER 44 HA SER 44 14.723 -6.743 -7.290 355 1HB SER 44 1HB SER 44 14.190 -4.633 -8.574 356 2HB SER 44 2HB SER 44 13.702 -6.143 -9.360 357 HG SER 44 HG SER 44 11.955 -4.803 -9.473 358 H THR 45 H THR 45 12.388 -4.139 -6.828 359 HA THR 45 HA THR 45 12.989 -3.828 -3.978 360 HB THR 45 HB THR 45 13.807 -1.485 -4.232 361 HG1 THR 45 HG1 THR 45 14.128 -2.197 -6.949 362 1HG2 THR 45 3HG2 THR 45 15.469 -3.325 -3.913 363 2HG2 THR 45 1HG2 THR 45 15.690 -3.391 -5.675 364 3HG2 THR 45 2HG2 THR 45 16.098 -1.917 -4.789 365 H LEU 46 H LEU 46 11.655 -2.225 -2.977 366 HA LEU 46 HA LEU 46 9.014 -1.869 -3.966 367 1HB LEU 46 1HB LEU 46 10.555 -0.026 -2.092 368 2HB LEU 46 2HB LEU 46 8.799 -0.299 -2.110 369 HG LEU 46 HG LEU 46 11.046 -2.115 -1.202 370 1HD1 LEU 46 3HD1 LEU 46 10.476 -0.301 0.346 371 2HD1 LEU 46 1HD1 LEU 46 8.768 -0.786 0.320 372 3HD1 LEU 46 2HD1 LEU 46 9.993 -1.864 1.028 373 1HD2 LEU 46 3HD2 LEU 46 8.027 -2.681 -1.261 374 2HD2 LEU 46 1HD2 LEU 46 9.267 -3.557 -2.185 375 3HD2 LEU 46 2HD2 LEU 46 9.227 -3.684 -0.421 376 H ASP 47 H ASP 47 11.930 0.099 -3.936 377 HA ASP 47 HA ASP 47 11.051 2.427 -5.193 378 1HB ASP 47 1HB ASP 47 13.718 0.982 -5.482 379 2HB ASP 47 2HB ASP 47 13.408 2.672 -5.898 380 H GLU 48 H GLU 48 12.560 -0.366 -6.841 381 HA GLU 48 HA GLU 48 12.045 0.547 -9.445 382 1HB GLU 48 1HB GLU 48 13.543 -1.360 -8.893 383 2HB GLU 48 2HB GLU 48 12.109 -2.360 -8.552 384 1HG GLU 48 1HG GLU 48 11.370 -1.990 -10.939 385 2HG GLU 48 2HG GLU 48 12.843 -1.051 -11.219 386 H LEU 49 H LEU 49 9.970 -1.476 -7.360 387 HA LEU 49 HA LEU 49 7.856 -1.757 -9.268 388 1HB LEU 49 1HB LEU 49 7.774 -1.678 -6.234 389 2HB LEU 49 2HB LEU 49 6.376 -2.065 -7.236 390 HG LEU 49 HG LEU 49 8.981 -3.653 -7.335 391 1HD1 LEU 49 1HD1 LEU 49 6.416 -4.217 -5.784 392 2HD1 LEU 49 2HD1 LEU 49 7.798 -5.320 -5.948 393 3HD1 LEU 49 3HD1 LEU 49 7.992 -3.790 -5.082 394 1HD2 LEU 49 3HD2 LEU 49 6.167 -4.237 -8.365 395 2HD2 LEU 49 1HD2 LEU 49 7.611 -3.949 -9.360 396 3HD2 LEU 49 2HD2 LEU 49 7.513 -5.393 -8.352 397 H PHE 50 H PHE 50 8.427 0.774 -6.846 398 HA PHE 50 HA PHE 50 6.070 2.270 -7.237 399 1HB PHE 50 1HB PHE 50 7.711 2.503 -5.381 400 2HB PHE 50 2HB PHE 50 8.853 3.240 -6.485 401 HD1 PHE 50 HD2 PHE 50 5.686 3.680 -4.670 402 HD2 PHE 50 HD1 PHE 50 8.539 5.582 -7.268 403 HE1 PHE 50 HE2 PHE 50 4.967 5.893 -3.836 404 HE2 PHE 50 HE1 PHE 50 7.849 7.795 -6.394 405 HZ PHE 50 HZ PHE 50 6.239 7.923 -4.506 406 H GLU 51 H GLU 51 9.312 2.652 -8.771 407 HA GLU 51 HA GLU 51 8.540 4.713 -10.599 408 1HB GLU 51 1HB GLU 51 10.687 2.545 -10.731 409 2HB GLU 51 2HB GLU 51 10.409 3.700 -12.036 410 1HG GLU 51 1HG GLU 51 12.145 4.672 -10.847 411 2HG GLU 51 2HG GLU 51 10.723 5.592 -10.358 412 H GLU 52 H GLU 52 8.502 1.183 -10.942 413 HA GLU 52 HA GLU 52 7.572 1.080 -13.589 414 1HB GLU 52 1HB GLU 52 8.439 -0.864 -12.244 415 2HB GLU 52 2HB GLU 52 6.877 -0.921 -11.407 416 1HG GLU 52 1HG GLU 52 5.740 -1.284 -13.608 417 2HG GLU 52 2HG GLU 52 7.328 -1.284 -14.398 418 H LEU 53 H LEU 53 5.655 1.319 -10.582 419 HA LEU 53 HA LEU 53 3.109 1.302 -11.940 420 1HB LEU 53 1HB LEU 53 3.884 2.476 -9.236 421 2HB LEU 53 2HB LEU 53 2.255 2.192 -9.847 422 HG LEU 53 HG LEU 53 4.301 0.080 -9.101 423 1HD1 LEU 53 3HD1 LEU 53 3.102 1.191 -7.237 424 2HD1 LEU 53 1HD1 LEU 53 1.558 0.680 -7.961 425 3HD1 LEU 53 2HD1 LEU 53 2.719 -0.531 -7.385 426 1HD2 LEU 53 3HD2 LEU 53 1.556 -0.323 -10.299 427 2HD2 LEU 53 1HD2 LEU 53 3.114 -0.733 -11.073 428 3HD2 LEU 53 2HD2 LEU 53 2.610 -1.598 -9.631 429 H ASP 54 H ASP 54 5.112 3.934 -10.635 430 HA ASP 54 HA ASP 54 3.331 5.944 -11.797 431 1HB ASP 54 1HB ASP 54 4.300 6.230 -9.561 432 2HB ASP 54 2HB ASP 54 5.931 6.190 -10.235 433 H LYS 55 H LYS 55 3.867 4.703 -13.921 434 HA LYS 55 HA LYS 55 6.155 5.278 -15.470 435 1HB LYS 55 1HB LYS 55 3.238 5.102 -16.304 436 2HB LYS 55 2HB LYS 55 4.601 5.162 -17.426 437 1HG LYS 55 1HG LYS 55 4.044 2.962 -15.397 438 2HG LYS 55 2HG LYS 55 3.857 2.915 -17.157 439 1HD LYS 55 1HD LYS 55 6.430 3.530 -17.195 440 2HD LYS 55 2HD LYS 55 6.399 2.924 -15.527 441 1HE LYS 55 1HE LYS 55 5.699 1.420 -18.092 442 2HE LYS 55 2HE LYS 55 7.044 1.111 -16.982 443 1HZ LYS 55 3HZ LYS 55 5.362 0.586 -15.300 444 2HZ LYS 55 1HZ LYS 55 4.188 0.722 -16.437 445 3HZ LYS 55 2HZ LYS 55 5.338 -0.450 -16.593 446 H ASN 56 H ASN 56 3.323 7.237 -14.756 447 HA ASN 56 HA ASN 56 3.907 9.454 -16.503 448 1HB ASN 56 1HB ASN 56 2.208 10.631 -15.101 449 2HB ASN 56 2HB ASN 56 1.619 9.143 -15.816 450 1HD2 ASN 56 1HD2 ASN 56 0.978 9.545 -11.991 451 2HD2 ASN 56 2HD2 ASN 56 1.044 10.773 -13.265 452 H GLY 57 H GLY 57 5.395 8.435 -13.553 453 1HA GLY 57 1HA GLY 57 7.002 9.364 -12.279 454 2HA GLY 57 2HA GLY 57 7.350 10.387 -13.678 455 H ASP 58 H ASP 58 4.353 10.387 -11.620 456 HA ASP 58 HA ASP 58 4.606 13.261 -11.341 457 1HB ASP 58 1HB ASP 58 2.520 13.205 -10.333 458 2HB ASP 58 2HB ASP 58 2.446 12.066 -11.666 459 H GLY 59 H GLY 59 5.503 10.460 -9.398 460 1HA GLY 59 1HA GLY 59 7.349 10.971 -7.854 461 2HA GLY 59 2HA GLY 59 6.394 12.296 -7.184 462 H GLU 60 H GLU 60 3.932 10.329 -7.578 463 HA GLU 60 HA GLU 60 4.319 8.313 -5.480 464 1HB GLU 60 1HB GLU 60 2.366 10.631 -5.262 465 2HB GLU 60 2HB GLU 60 2.359 9.189 -4.228 466 1HG GLU 60 1HG GLU 60 4.733 9.796 -3.538 467 2HG GLU 60 2HG GLU 60 4.489 11.353 -4.350 468 H VAL 61 H VAL 61 2.058 7.175 -5.251 469 HA VAL 61 HA VAL 61 1.382 6.560 -8.099 470 HB VAL 61 HB VAL 61 1.210 4.682 -5.752 471 1HG1 VAL 61 3HG1 VAL 61 -0.038 4.165 -7.907 472 2HG1 VAL 61 1HG1 VAL 61 1.534 4.196 -8.741 473 3HG1 VAL 61 2HG1 VAL 61 1.213 2.988 -7.480 474 1HG2 VAL 61 3HG2 VAL 61 3.533 5.258 -7.644 475 2HG2 VAL 61 1HG2 VAL 61 3.530 5.334 -5.872 476 3HG2 VAL 61 2HG2 VAL 61 3.399 3.774 -6.694 477 H SER 62 H SER 62 -0.514 7.572 -8.632 478 HA SER 62 HA SER 62 -2.751 7.661 -6.782 479 1HB SER 62 1HB SER 62 -3.940 8.817 -8.470 480 2HB SER 62 2HB SER 62 -2.308 9.487 -8.394 481 HG SER 62 HG SER 62 -1.830 8.497 -10.323 482 H PHE 63 H PHE 63 -4.964 6.795 -7.521 483 HA PHE 63 HA PHE 63 -4.749 4.026 -7.529 484 1HB PHE 63 1HB PHE 63 -6.701 5.254 -6.669 485 2HB PHE 63 2HB PHE 63 -7.221 5.585 -8.322 486 HD1 PHE 63 HD1 PHE 63 -6.275 2.738 -6.048 487 HD2 PHE 63 HD2 PHE 63 -8.675 3.977 -9.404 488 HE1 PHE 63 HE1 PHE 63 -7.361 0.526 -6.076 489 HE2 PHE 63 HE2 PHE 63 -9.770 1.753 -9.423 490 HZ PHE 63 HZ PHE 63 -9.128 0.022 -7.734 491 H GLU 64 H GLU 64 -5.300 6.132 -10.374 492 HA GLU 64 HA GLU 64 -5.936 3.982 -12.098 493 1HB GLU 64 1HB GLU 64 -5.624 5.559 -13.930 494 2HB GLU 64 2HB GLU 64 -6.613 6.150 -12.592 495 1HG GLU 64 1HG GLU 64 -5.414 8.015 -13.181 496 2HG GLU 64 2HG GLU 64 -4.562 7.434 -11.755 497 H GLU 65 H GLU 65 -2.771 5.709 -11.781 498 HA GLU 65 HA GLU 65 -1.333 3.844 -13.358 499 1HB GLU 65 1HB GLU 65 0.686 4.802 -12.272 500 2HB GLU 65 2HB GLU 65 -0.418 5.996 -12.943 501 1HG GLU 65 1HG GLU 65 -1.385 6.253 -10.569 502 2HG GLU 65 2HG GLU 65 -0.025 5.280 -10.018 503 H PHE 66 H PHE 66 -2.100 3.791 -9.859 504 HA PHE 66 HA PHE 66 -0.653 1.496 -9.080 505 1HB PHE 66 1HB PHE 66 -1.779 2.780 -7.435 506 2HB PHE 66 2HB PHE 66 -3.273 2.680 -8.335 507 HD1 PHE 66 HD1 PHE 66 -1.014 0.666 -6.150 508 HD2 PHE 66 HD2 PHE 66 -4.856 1.057 -8.011 509 HE1 PHE 66 HE1 PHE 66 -1.942 -1.072 -4.624 510 HE2 PHE 66 HE2 PHE 66 -5.693 -0.921 -6.788 511 HZ PHE 66 HZ PHE 66 -4.287 -1.838 -4.892 512 H GLN 67 H GLN 67 -3.526 1.670 -11.228 513 HA GLN 67 HA GLN 67 -4.177 -1.083 -11.079 514 1HB GLN 67 1HB GLN 67 -4.356 0.622 -13.585 515 2HB GLN 67 2HB GLN 67 -5.113 -0.940 -13.304 516 1HG GLN 67 1HG GLN 67 -5.821 1.675 -11.973 517 2HG GLN 67 2HG GLN 67 -6.825 0.649 -12.990 518 1HE2 GLN 67 1HE2 GLN 67 -6.650 0.091 -8.964 519 2HE2 GLN 67 2HE2 GLN 67 -5.932 1.447 -9.817 520 H VAL 68 H VAL 68 -1.261 0.313 -12.452 521 HA VAL 68 HA VAL 68 -0.545 -1.935 -14.089 522 HB VAL 68 HB VAL 68 1.167 0.039 -12.545 523 1HG1 VAL 68 1HG1 VAL 68 1.960 -1.938 -14.732 524 2HG1 VAL 68 2HG1 VAL 68 2.991 -0.641 -14.093 525 3HG1 VAL 68 3HG1 VAL 68 2.513 -1.979 -13.046 526 1HG2 VAL 68 1HG2 VAL 68 -0.264 1.059 -14.325 527 2HG2 VAL 68 2HG2 VAL 68 1.455 1.121 -14.731 528 3HG2 VAL 68 3HG2 VAL 68 0.404 -0.091 -15.496 529 H LEU 69 H LEU 69 -0.550 -1.427 -10.562 530 HA LEU 69 HA LEU 69 1.009 -3.819 -10.003 531 1HB LEU 69 1HB LEU 69 0.734 -1.825 -8.392 532 2HB LEU 69 2HB LEU 69 -0.933 -2.333 -8.179 533 HG LEU 69 HG LEU 69 -0.057 -4.605 -7.408 534 1HD1 LEU 69 1HD1 LEU 69 2.576 -3.063 -7.292 535 2HD1 LEU 69 2HD1 LEU 69 2.266 -4.635 -6.531 536 3HD1 LEU 69 3HD1 LEU 69 2.254 -4.498 -8.290 537 1HD2 LEU 69 3HD2 LEU 69 0.660 -2.116 -5.811 538 2HD2 LEU 69 1HD2 LEU 69 -0.915 -2.943 -5.856 539 3HD2 LEU 69 2HD2 LEU 69 0.488 -3.757 -5.147 540 H VAL 70 H VAL 70 -2.448 -2.844 -9.969 541 HA VAL 70 HA VAL 70 -3.516 -5.333 -9.192 542 HB VAL 70 HB VAL 70 -4.802 -3.307 -11.085 543 1HG1 VAL 70 1HG1 VAL 70 -6.018 -5.413 -9.254 544 2HG1 VAL 70 2HG1 VAL 70 -6.928 -4.153 -10.115 545 3HG1 VAL 70 3HG1 VAL 70 -6.061 -5.393 -11.028 546 1HG2 VAL 70 3HG2 VAL 70 -4.698 -3.399 -8.036 547 2HG2 VAL 70 1HG2 VAL 70 -4.096 -2.109 -9.068 548 3HG2 VAL 70 2HG2 VAL 70 -5.833 -2.399 -8.961 549 H LYS 71 H LYS 71 -2.609 -4.164 -12.429 550 HA LYS 71 HA LYS 71 -3.371 -6.417 -13.954 551 1HB LYS 71 1HB LYS 71 -2.735 -4.413 -15.031 552 2HB LYS 71 2HB LYS 71 -1.154 -4.369 -14.248 553 1HG LYS 71 1HG LYS 71 -0.428 -6.368 -15.440 554 2HG LYS 71 2HG LYS 71 -1.995 -6.498 -16.252 555 1HD LYS 71 1HD LYS 71 0.058 -4.235 -16.487 556 2HD LYS 71 2HD LYS 71 -0.263 -5.479 -17.698 557 1HE LYS 71 1HE LYS 71 -2.141 -3.226 -16.845 558 2HE LYS 71 2HE LYS 71 -1.311 -3.410 -18.390 559 1HZ LYS 71 3HZ LYS 71 -2.586 -5.397 -18.780 560 2HZ LYS 71 1HZ LYS 71 -3.382 -5.207 -17.348 561 3HZ LYS 71 2HZ LYS 71 -3.569 -4.095 -18.546 562 H LYS 72 H LYS 72 -0.216 -5.732 -12.440 563 HA LYS 72 HA LYS 72 0.929 -8.271 -12.928 564 1HB LYS 72 1HB LYS 72 1.501 -6.090 -10.935 565 2HB LYS 72 2HB LYS 72 2.135 -7.700 -10.599 566 1HG LYS 72 1HG LYS 72 3.838 -6.584 -11.748 567 2HG LYS 72 2HG LYS 72 3.169 -7.779 -12.867 568 1HD LYS 72 1HD LYS 72 1.747 -5.834 -13.836 569 2HD LYS 72 2HD LYS 72 2.747 -4.756 -12.852 570 1HE LYS 72 1HE LYS 72 3.669 -6.633 -15.082 571 2HE LYS 72 2HE LYS 72 3.629 -4.862 -15.125 572 1HZ LYS 72 3HZ LYS 72 5.269 -4.874 -13.352 573 2HZ LYS 72 1HZ LYS 72 5.332 -6.519 -13.398 574 3HZ LYS 72 2HZ LYS 72 5.819 -5.641 -14.703 575 H ILE 73 H ILE 73 -1.084 -7.306 -10.169 576 HA ILE 73 HA ILE 73 -1.004 -9.810 -8.788 577 HB ILE 73 HB ILE 73 -3.276 -7.779 -8.914 578 1HG1 ILE 73 1HG1 ILE 73 -1.048 -8.218 -6.876 579 2HG1 ILE 73 2HG1 ILE 73 -1.162 -6.872 -8.011 580 1HG2 ILE 73 3HG2 ILE 73 -4.079 -10.030 -8.188 581 2HG2 ILE 73 1HG2 ILE 73 -2.829 -10.047 -6.927 582 3HG2 ILE 73 2HG2 ILE 73 -4.150 -8.857 -6.891 583 1HD1 ILE 73 3HD1 ILE 73 -3.289 -6.149 -6.936 584 2HD1 ILE 73 1HD1 ILE 73 -3.024 -7.389 -5.686 585 3HD1 ILE 73 2HD1 ILE 73 -1.862 -6.075 -5.884 586 H SER 74 H SER 74 -3.195 -8.589 -11.281 587 HA SER 74 HA SER 74 -4.507 -11.169 -11.743 588 1HB SER 74 1HB SER 74 -4.531 -8.675 -13.489 589 2HB SER 74 2HB SER 74 -5.734 -9.973 -13.425 590 HG SER 74 HG SER 74 -5.111 -8.028 -11.437 591 H GLN 75 H GLN 75 -1.784 -11.613 -11.888 592 HA GLN 75 HA GLN 75 0.023 -12.124 -13.130 593 1HB GLN 75 1HB GLN 75 -1.560 -13.858 -13.990 594 2HB GLN 75 2HB GLN 75 -1.975 -12.787 -15.341 595 1HG GLN 75 1HG GLN 75 0.389 -12.841 -16.111 596 2HG GLN 75 2HG GLN 75 0.828 -13.820 -14.703 597 1HE2 GLN 75 1HE2 GLN 75 -1.444 -15.596 -17.676 598 2HE2 GLN 75 2HE2 GLN 75 -1.658 -13.882 -17.356 No H/Q in entry = 598 Start of MODEL 19 Raw file had 599 H/Q atoms Start of MODEL 19 1 1H LYS 1 2H LYS 1 -7.137 -10.551 -4.335 2 2H LYS 1 3H LYS 1 -7.573 -10.822 -2.733 3 3H LYS 1 1H LYS 1 -8.527 -11.428 -3.978 4 HA LYS 1 HA LYS 1 -9.555 -9.524 -3.013 5 1HB LYS 1 1HB LYS 1 -6.876 -8.265 -3.792 6 2HB LYS 1 2HB LYS 1 -8.328 -7.320 -3.536 7 1HG LYS 1 1HG LYS 1 -7.154 -7.157 -1.547 8 2HG LYS 1 2HG LYS 1 -8.491 -8.256 -1.182 9 1HD LYS 1 1HD LYS 1 -7.016 -10.172 -1.225 10 2HD LYS 1 2HD LYS 1 -5.722 -9.231 -1.978 11 1HE LYS 1 1HE LYS 1 -5.597 -7.798 0.098 12 2HE LYS 1 2HE LYS 1 -6.787 -8.868 0.860 13 1HZ LYS 1 3HZ LYS 1 -5.204 -10.668 0.522 14 2HZ LYS 1 1HZ LYS 1 -4.103 -9.605 -0.098 15 3HZ LYS 1 2HZ LYS 1 -4.588 -9.463 1.462 16 H SER 2 H SER 2 -10.819 -8.138 -4.397 17 HA SER 2 HA SER 2 -10.370 -8.447 -7.315 18 1HB SER 2 1HB SER 2 -12.640 -8.113 -7.590 19 2HB SER 2 2HB SER 2 -12.673 -8.835 -5.985 20 HG SER 2 HG SER 2 -13.898 -6.900 -6.070 21 HA PRO 3 HA PRO 3 -9.175 -4.114 -7.836 22 1HB PRO 3 1HB PRO 3 -11.847 -3.780 -9.204 23 2HB PRO 3 2HB PRO 3 -10.260 -3.097 -9.670 24 1HG PRO 3 1HG PRO 3 -11.140 -5.321 -10.922 25 2HG PRO 3 2HG PRO 3 -9.456 -5.284 -10.320 26 1HD PRO 3 1HD PRO 3 -11.878 -6.536 -9.020 27 2HD PRO 3 2HD PRO 3 -10.241 -7.229 -9.242 28 H GLU 4 H GLU 4 -12.429 -4.917 -6.565 29 HA GLU 4 HA GLU 4 -13.049 -2.284 -5.579 30 1HB GLU 4 1HB GLU 4 -14.088 -5.001 -4.691 31 2HB GLU 4 2HB GLU 4 -14.863 -3.455 -4.384 32 1HG GLU 4 1HG GLU 4 -15.532 -3.185 -6.643 33 2HG GLU 4 2HG GLU 4 -14.392 -4.386 -7.254 34 H GLU 5 H GLU 5 -11.644 -5.230 -4.178 35 HA GLU 5 HA GLU 5 -11.489 -4.076 -1.484 36 1HB GLU 5 1HB GLU 5 -10.172 -6.533 -2.699 37 2HB GLU 5 2HB GLU 5 -9.934 -5.981 -1.035 38 1HG GLU 5 1HG GLU 5 -11.592 -7.643 -0.873 39 2HG GLU 5 2HG GLU 5 -12.472 -6.119 -0.728 40 H LEU 6 H LEU 6 -9.355 -4.552 -4.278 41 HA LEU 6 HA LEU 6 -7.041 -3.371 -3.164 42 1HB LEU 6 1HB LEU 6 -8.056 -3.711 -5.981 43 2HB LEU 6 2HB LEU 6 -6.563 -2.885 -5.662 44 HG LEU 6 HG LEU 6 -7.103 -5.543 -4.290 45 1HD1 LEU 6 3HD1 LEU 6 -7.512 -6.022 -6.692 46 2HD1 LEU 6 1HD1 LEU 6 -5.874 -5.437 -7.040 47 3HD1 LEU 6 2HD1 LEU 6 -6.101 -6.859 -6.011 48 1HD2 LEU 6 3HD2 LEU 6 -4.563 -4.156 -5.298 49 2HD2 LEU 6 1HD2 LEU 6 -5.066 -4.310 -3.601 50 3HD2 LEU 6 2HD2 LEU 6 -4.596 -5.738 -4.536 51 H LYS 7 H LYS 7 -9.804 -1.756 -4.779 52 HA LYS 7 HA LYS 7 -8.749 0.868 -4.493 53 1HB LYS 7 1HB LYS 7 -10.785 0.254 -5.818 54 2HB LYS 7 2HB LYS 7 -11.666 -0.032 -4.334 55 1HG LYS 7 1HG LYS 7 -12.235 2.136 -5.273 56 2HG LYS 7 2HG LYS 7 -11.522 2.301 -3.668 57 1HD LYS 7 1HD LYS 7 -9.369 3.003 -4.654 58 2HD LYS 7 2HD LYS 7 -10.001 2.686 -6.284 59 1HE LYS 7 1HE LYS 7 -11.674 4.462 -6.011 60 2HE LYS 7 2HE LYS 7 -11.117 4.763 -4.354 61 1HZ LYS 7 1HZ LYS 7 -9.490 5.063 -6.780 62 2HZ LYS 7 2HZ LYS 7 -10.169 6.292 -5.912 63 3HZ LYS 7 3HZ LYS 7 -8.988 5.361 -5.239 64 H GLY 8 H GLY 8 -10.791 -1.033 -2.315 65 1HA GLY 8 1HA GLY 8 -11.129 0.859 -0.227 66 2HA GLY 8 2HA GLY 8 -11.073 -0.900 0.008 67 H ILE 9 H ILE 9 -8.631 -1.603 -0.633 68 HA ILE 9 HA ILE 9 -6.837 -0.989 1.481 69 HB ILE 9 HB ILE 9 -6.560 -2.259 -1.252 70 1HG1 ILE 9 1HG1 ILE 9 -6.609 -3.448 1.562 71 2HG1 ILE 9 2HG1 ILE 9 -8.024 -3.340 0.512 72 1HG2 ILE 9 3HG2 ILE 9 -4.353 -1.376 -0.548 73 2HG2 ILE 9 1HG2 ILE 9 -4.491 -2.315 0.952 74 3HG2 ILE 9 2HG2 ILE 9 -4.389 -3.128 -0.622 75 1HD1 ILE 9 3HD1 ILE 9 -6.875 -4.739 -1.188 76 2HD1 ILE 9 1HD1 ILE 9 -5.512 -4.954 -0.068 77 3HD1 ILE 9 2HD1 ILE 9 -7.115 -5.559 0.369 78 H PHE 10 H PHE 10 -6.769 0.130 -1.973 79 HA PHE 10 HA PHE 10 -4.526 1.766 -1.800 80 1HB PHE 10 1HB PHE 10 -5.775 1.246 -3.892 81 2HB PHE 10 2HB PHE 10 -7.102 2.229 -3.356 82 HD1 PHE 10 HD1 PHE 10 -6.955 4.702 -3.205 83 HD2 PHE 10 HD2 PHE 10 -3.724 2.302 -4.753 84 HE1 PHE 10 HE1 PHE 10 -5.865 6.723 -4.058 85 HE2 PHE 10 HE2 PHE 10 -2.624 4.362 -5.619 86 HZ PHE 10 HZ PHE 10 -3.670 6.571 -5.236 87 H GLU 11 H GLU 11 -7.932 2.600 -1.094 88 HA GLU 11 HA GLU 11 -7.442 5.341 -0.405 89 1HB GLU 11 1HB GLU 11 -9.710 3.439 0.313 90 2HB GLU 11 2HB GLU 11 -9.707 5.170 0.686 91 1HG GLU 11 1HG GLU 11 -9.553 5.755 -1.675 92 2HG GLU 11 2HG GLU 11 -9.413 4.058 -2.144 93 H LYS 12 H LYS 12 -7.920 2.434 1.640 94 HA LYS 12 HA LYS 12 -7.572 3.515 4.185 95 1HB LYS 12 1HB LYS 12 -8.253 1.268 3.943 96 2HB LYS 12 2HB LYS 12 -6.853 0.841 2.942 97 1HG LYS 12 1HG LYS 12 -5.364 0.761 4.720 98 2HG LYS 12 2HG LYS 12 -6.435 1.679 5.809 99 1HD LYS 12 1HD LYS 12 -6.308 -0.752 6.338 100 2HD LYS 12 2HD LYS 12 -7.957 -0.191 6.015 101 1HE LYS 12 1HE LYS 12 -7.964 -1.188 3.810 102 2HE LYS 12 2HE LYS 12 -6.224 -1.503 3.883 103 1HZ LYS 12 1HZ LYS 12 -8.251 -2.756 5.589 104 2HZ LYS 12 2HZ LYS 12 -7.497 -3.458 4.304 105 3HZ LYS 12 3HZ LYS 12 -6.629 -3.052 5.642 106 H TYR 13 H TYR 13 -4.988 2.153 2.081 107 HA TYR 13 HA TYR 13 -2.967 2.845 4.042 108 1HB TYR 13 1HB TYR 13 -2.908 1.656 1.273 109 2HB TYR 13 2HB TYR 13 -1.429 2.118 2.119 110 HD1 TYR 13 HD1 TYR 13 -0.984 1.256 4.427 111 HD2 TYR 13 HD2 TYR 13 -4.192 -0.337 2.073 112 HE1 TYR 13 HE1 TYR 13 -1.104 -0.752 5.910 113 HE2 TYR 13 HE2 TYR 13 -4.168 -2.405 3.360 114 HH TYR 13 HH TYR 13 -2.007 -2.928 6.126 115 H ALA 14 H ALA 14 -4.104 4.353 1.032 116 HA ALA 14 HA ALA 14 -2.123 6.418 0.922 117 1HB ALA 14 1HB ALA 14 -5.053 6.411 0.095 118 2HB ALA 14 2HB ALA 14 -3.877 7.676 -0.301 119 3HB ALA 14 3HB ALA 14 -3.651 6.038 -0.927 120 H ALA 15 H ALA 15 -5.392 6.515 2.279 121 HA ALA 15 HA ALA 15 -5.316 9.002 3.507 122 1HB ALA 15 3HB ALA 15 -7.357 7.648 3.179 123 2HB ALA 15 1HB ALA 15 -6.813 6.517 4.439 124 3HB ALA 15 2HB ALA 15 -7.204 8.197 4.860 125 H LYS 16 H LYS 16 -4.041 5.913 4.744 126 HA LYS 16 HA LYS 16 -3.802 6.498 7.440 127 1HB LYS 16 1HB LYS 16 -3.346 4.343 6.256 128 2HB LYS 16 2HB LYS 16 -1.765 4.979 5.764 129 1HG LYS 16 1HG LYS 16 -1.142 5.232 8.155 130 2HG LYS 16 2HG LYS 16 -2.719 4.619 8.645 131 1HD LYS 16 1HD LYS 16 -0.577 3.124 7.053 132 2HD LYS 16 2HD LYS 16 -0.941 2.896 8.765 133 1HE LYS 16 1HE LYS 16 -2.734 2.178 6.399 134 2HE LYS 16 2HE LYS 16 -1.926 1.079 7.518 135 1HZ LYS 16 3HZ LYS 16 -3.287 1.979 9.277 136 2HZ LYS 16 1HZ LYS 16 -4.064 2.964 8.207 137 3HZ LYS 16 2HZ LYS 16 -4.206 1.328 8.073 138 H GLU 17 H GLU 17 -1.898 7.864 4.800 139 HA GLU 17 HA GLU 17 -0.309 9.459 6.760 140 1HB GLU 17 1HB GLU 17 1.051 7.508 6.410 141 2HB GLU 17 2HB GLU 17 0.793 7.580 4.676 142 1HG GLU 17 1HG GLU 17 2.096 9.769 4.640 143 2HG GLU 17 2HG GLU 17 2.461 9.489 6.348 144 H GLY 18 H GLY 18 -1.260 8.936 3.381 145 1HA GLY 18 1HA GLY 18 -0.475 11.746 2.695 146 2HA GLY 18 2HA GLY 18 -0.525 10.362 1.593 147 H ASP 19 H ASP 19 -1.825 12.179 0.479 148 HA ASP 19 HA ASP 19 -4.523 12.657 1.301 149 1HB ASP 19 1HB ASP 19 -3.331 14.085 -0.325 150 2HB ASP 19 2HB ASP 19 -3.243 12.734 -1.470 151 HA PRO 20 HA PRO 20 -6.107 8.553 0.631 152 1HB PRO 20 1HB PRO 20 -8.691 9.150 -0.334 153 2HB PRO 20 2HB PRO 20 -8.190 8.997 1.376 154 1HG PRO 20 1HG PRO 20 -8.438 11.488 -0.312 155 2HG PRO 20 2HG PRO 20 -8.946 11.254 1.388 156 1HD PRO 20 1HD PRO 20 -6.678 12.531 0.827 157 2HD PRO 20 2HD PRO 20 -6.665 11.323 2.142 158 H ASN 21 H ASN 21 -6.108 10.845 -2.057 159 HA ASN 21 HA ASN 21 -6.891 8.878 -4.087 160 1HB ASN 21 1HB ASN 21 -5.850 11.717 -4.216 161 2HB ASN 21 2HB ASN 21 -6.449 10.795 -5.595 162 1HD2 ASN 21 1HD2 ASN 21 -9.091 12.627 -3.116 163 2HD2 ASN 21 2HD2 ASN 21 -7.363 12.660 -2.785 164 H GLN 22 H GLN 22 -4.041 9.276 -2.339 165 HA GLN 22 HA GLN 22 -2.352 8.396 -4.630 166 1HB GLN 22 1HB GLN 22 -2.545 11.015 -4.193 167 2HB GLN 22 2HB GLN 22 -1.613 10.656 -2.760 168 1HG GLN 22 1HG GLN 22 0.031 11.142 -4.402 169 2HG GLN 22 2HG GLN 22 -0.013 9.364 -4.407 170 1HE2 GLN 22 1HE2 GLN 22 -2.191 10.164 -7.587 171 2HE2 GLN 22 2HE2 GLN 22 -2.893 10.041 -5.978 172 H LEU 23 H LEU 23 -0.982 6.741 -4.077 173 HA LEU 23 HA LEU 23 -0.375 6.278 -1.231 174 1HB LEU 23 1HB LEU 23 0.240 4.693 -3.722 175 2HB LEU 23 2HB LEU 23 0.757 4.313 -2.103 176 HG LEU 23 HG LEU 23 -2.190 4.579 -2.764 177 1HD1 LEU 23 1HD1 LEU 23 -0.422 2.095 -2.813 178 2HD1 LEU 23 2HD1 LEU 23 -2.183 2.095 -2.973 179 3HD1 LEU 23 3HD1 LEU 23 -1.175 2.846 -4.233 180 1HD2 LEU 23 1HD2 LEU 23 -1.537 4.611 -0.357 181 2HD2 LEU 23 2HD2 LEU 23 -2.456 3.160 -0.770 182 3HD2 LEU 23 3HD2 LEU 23 -0.694 3.066 -0.564 183 H SER 24 H SER 24 1.484 6.999 -0.385 184 HA SER 24 HA SER 24 3.773 7.912 -1.972 185 1HB SER 24 1HB SER 24 4.762 8.448 0.130 186 2HB SER 24 2HB SER 24 3.052 8.830 0.328 187 HG SER 24 HG SER 24 3.696 7.634 2.103 188 H LYS 25 H LYS 25 6.004 6.856 -1.276 189 HA LYS 25 HA LYS 25 6.033 4.093 -1.932 190 1HB LYS 25 1HB LYS 25 8.066 5.826 -0.420 191 2HB LYS 25 2HB LYS 25 8.367 4.154 -0.916 192 1HG LYS 25 1HG LYS 25 8.045 4.759 -3.275 193 2HG LYS 25 2HG LYS 25 7.769 6.453 -2.814 194 1HD LYS 25 1HD LYS 25 10.047 6.557 -1.841 195 2HD LYS 25 2HD LYS 25 10.320 4.858 -2.282 196 1HE LYS 25 1HE LYS 25 10.010 5.421 -4.681 197 2HE LYS 25 2HE LYS 25 9.717 7.115 -4.252 198 1HZ LYS 25 3HZ LYS 25 11.927 7.208 -3.359 199 2HZ LYS 25 1HZ LYS 25 12.207 5.632 -3.760 200 3HZ LYS 25 2HZ LYS 25 11.957 6.752 -4.943 201 H GLU 26 H GLU 26 5.992 5.782 1.228 202 HA GLU 26 HA GLU 26 6.420 3.376 2.751 203 1HB GLU 26 1HB GLU 26 5.071 5.963 3.683 204 2HB GLU 26 2HB GLU 26 5.848 4.731 4.683 205 1HG GLU 26 1HG GLU 26 7.999 5.251 3.403 206 2HG GLU 26 2HG GLU 26 7.181 6.672 2.737 207 H GLU 27 H GLU 27 3.586 5.218 1.767 208 HA GLU 27 HA GLU 27 1.631 3.598 3.091 209 1HB GLU 27 1HB GLU 27 1.492 5.228 0.559 210 2HB GLU 27 2HB GLU 27 0.074 4.548 1.370 211 1HG GLU 27 1HG GLU 27 0.240 5.930 3.235 212 2HG GLU 27 2HG GLU 27 1.968 6.179 3.070 213 H LEU 28 H LEU 28 2.955 3.325 -0.326 214 HA LEU 28 HA LEU 28 1.817 0.781 -0.827 215 1HB LEU 28 1HB LEU 28 4.349 2.167 -1.757 216 2HB LEU 28 2HB LEU 28 4.044 0.490 -2.236 217 HG LEU 28 HG LEU 28 1.899 2.532 -2.474 218 1HD1 LEU 28 1HD1 LEU 28 4.111 2.070 -4.498 219 2HD1 LEU 28 2HD1 LEU 28 2.604 2.961 -4.831 220 3HD1 LEU 28 3HD1 LEU 28 3.735 3.577 -3.610 221 1HD2 LEU 28 1HD2 LEU 28 1.327 0.109 -2.898 222 2HD2 LEU 28 2HD2 LEU 28 1.163 1.057 -4.385 223 3HD2 LEU 28 3HD2 LEU 28 2.594 0.043 -4.134 224 H LYS 29 H LYS 29 4.810 1.500 0.950 225 HA LYS 29 HA LYS 29 5.603 -1.221 1.072 226 1HB LYS 29 1HB LYS 29 6.911 0.874 1.685 227 2HB LYS 29 2HB LYS 29 5.990 0.966 3.161 228 1HG LYS 29 1HG LYS 29 6.908 -1.258 3.879 229 2HG LYS 29 2HG LYS 29 7.750 -1.375 2.335 230 1HD LYS 29 1HD LYS 29 9.439 -0.640 3.711 231 2HD LYS 29 2HD LYS 29 8.888 0.885 3.010 232 1HE LYS 29 1HE LYS 29 8.034 -0.214 5.747 233 2HE LYS 29 2HE LYS 29 9.373 0.914 5.494 234 1HZ LYS 29 3HZ LYS 29 7.794 2.462 4.546 235 2HZ LYS 29 1HZ LYS 29 6.555 1.443 4.928 236 3HZ LYS 29 2HZ LYS 29 7.472 2.099 6.120 237 H LEU 30 H LEU 30 3.784 0.693 3.451 238 HA LEU 30 HA LEU 30 3.194 -1.515 5.171 239 1HB LEU 30 1HB LEU 30 1.961 1.219 4.769 240 2HB LEU 30 2HB LEU 30 1.099 0.015 5.731 241 HG LEU 30 HG LEU 30 2.982 -0.278 7.240 242 1HD1 LEU 30 1HD1 LEU 30 4.322 1.980 5.692 243 2HD1 LEU 30 2HD1 LEU 30 4.878 1.304 7.233 244 3HD1 LEU 30 3HD1 LEU 30 4.888 0.293 5.786 245 1HD2 LEU 30 1HD2 LEU 30 1.224 1.368 7.741 246 2HD2 LEU 30 2HD2 LEU 30 2.791 1.914 8.362 247 3HD2 LEU 30 3HD2 LEU 30 2.133 2.627 6.874 248 H LEU 31 H LEU 31 1.346 -0.223 2.447 249 HA LEU 31 HA LEU 31 -0.856 -1.973 2.488 250 1HB LEU 31 1HB LEU 31 -0.489 0.005 1.025 251 2HB LEU 31 2HB LEU 31 0.643 -0.924 0.049 252 HG LEU 31 HG LEU 31 -2.247 -1.674 0.471 253 1HD1 LEU 31 1HD1 LEU 31 -0.913 -0.108 -1.793 254 2HD1 LEU 31 2HD1 LEU 31 -2.601 -0.643 -1.813 255 3HD1 LEU 31 3HD1 LEU 31 -2.071 0.551 -0.620 256 1HD2 LEU 31 3HD2 LEU 31 -0.145 -2.615 -1.531 257 2HD2 LEU 31 1HD2 LEU 31 -1.071 -3.597 -0.368 258 3HD2 LEU 31 2HD2 LEU 31 -1.884 -2.887 -1.753 259 H LEU 32 H LEU 32 2.230 -2.365 0.802 260 HA LEU 32 HA LEU 32 1.802 -4.980 -0.210 261 1HB LEU 32 1HB LEU 32 4.343 -3.485 0.527 262 2HB LEU 32 2HB LEU 32 4.371 -5.079 -0.223 263 HG LEU 32 HG LEU 32 2.879 -2.783 -1.541 264 1HD1 LEU 32 3HD1 LEU 32 5.230 -2.053 -1.168 265 2HD1 LEU 32 1HD1 LEU 32 5.811 -3.560 -1.904 266 3HD1 LEU 32 2HD1 LEU 32 4.913 -2.376 -2.878 267 1HD2 LEU 32 3HD2 LEU 32 4.162 -5.341 -2.568 268 2HD2 LEU 32 1HD2 LEU 32 2.414 -5.051 -2.395 269 3HD2 LEU 32 2HD2 LEU 32 3.355 -4.118 -3.569 270 H GLN 33 H GLN 33 3.528 -3.994 2.795 271 HA GLN 33 HA GLN 33 4.134 -6.546 3.760 272 1HB GLN 33 1HB GLN 33 3.374 -3.999 5.250 273 2HB GLN 33 2HB GLN 33 3.920 -5.467 6.066 274 1HG GLN 33 1HG GLN 33 6.079 -5.380 4.938 275 2HG GLN 33 2HG GLN 33 5.579 -3.975 3.996 276 1HE2 GLN 33 1HE2 GLN 33 6.440 -3.524 8.013 277 2HE2 GLN 33 2HE2 GLN 33 6.042 -5.114 7.386 278 H THR 34 H THR 34 1.173 -4.676 4.376 279 HA THR 34 HA THR 34 0.153 -6.770 6.090 280 HB THR 34 HB THR 34 -1.647 -4.732 4.811 281 HG1 THR 34 HG1 THR 34 0.214 -3.592 5.569 282 1HG2 THR 34 3HG2 THR 34 -2.599 -6.460 6.341 283 2HG2 THR 34 1HG2 THR 34 -1.480 -5.934 7.615 284 3HG2 THR 34 2HG2 THR 34 -2.751 -4.845 7.039 285 H GLU 35 H GLU 35 -0.659 -5.763 2.699 286 HA GLU 35 HA GLU 35 -2.725 -7.847 2.603 287 1HB GLU 35 1HB GLU 35 -2.028 -5.524 0.766 288 2HB GLU 35 2HB GLU 35 -3.425 -6.597 0.622 289 1HG GLU 35 1HG GLU 35 -2.810 -4.637 2.881 290 2HG GLU 35 2HG GLU 35 -4.039 -4.463 1.643 291 H PHE 36 H PHE 36 0.465 -7.216 1.217 292 HA PHE 36 HA PHE 36 0.200 -9.677 -0.435 293 1HB PHE 36 1HB PHE 36 1.042 -7.010 -1.589 294 2HB PHE 36 2HB PHE 36 0.941 -8.556 -2.418 295 HD1 PHE 36 HD1 PHE 36 -1.361 -9.669 -2.720 296 HD2 PHE 36 HD2 PHE 36 -0.834 -5.562 -1.534 297 HE1 PHE 36 HE1 PHE 36 -3.745 -9.191 -3.264 298 HE2 PHE 36 HE2 PHE 36 -3.256 -5.140 -1.939 299 HZ PHE 36 HZ PHE 36 -4.733 -7.007 -2.641 300 HA PRO 37 HA PRO 37 4.424 -9.381 1.643 301 1HB PRO 37 1HB PRO 37 3.505 -12.258 1.883 302 2HB PRO 37 2HB PRO 37 4.590 -11.342 2.969 303 1HG PRO 37 1HG PRO 37 1.985 -11.680 3.643 304 2HG PRO 37 2HG PRO 37 2.745 -10.072 3.830 305 1HD PRO 37 1HD PRO 37 0.929 -11.025 1.605 306 2HD PRO 37 2HD PRO 37 0.953 -9.474 2.496 307 H SER 38 H SER 38 2.656 -11.333 -0.739 308 HA SER 38 HA SER 38 4.711 -12.822 -2.000 309 1HB SER 38 1HB SER 38 2.895 -12.553 -3.888 310 2HB SER 38 2HB SER 38 2.448 -13.405 -2.396 311 HG SER 38 HG SER 38 0.898 -11.790 -2.957 312 H LEU 39 H LEU 39 3.104 -9.757 -2.776 313 HA LEU 39 HA LEU 39 4.924 -8.993 -4.879 314 1HB LEU 39 1HB LEU 39 2.940 -7.459 -3.194 315 2HB LEU 39 2HB LEU 39 3.840 -6.724 -4.539 316 HG LEU 39 HG LEU 39 1.898 -9.058 -4.785 317 1HD1 LEU 39 3HD1 LEU 39 0.820 -6.867 -4.263 318 2HD1 LEU 39 1HD1 LEU 39 1.701 -6.124 -5.612 319 3HD1 LEU 39 2HD1 LEU 39 0.478 -7.366 -5.926 320 1HD2 LEU 39 3HD2 LEU 39 3.459 -7.504 -6.899 321 2HD2 LEU 39 1HD2 LEU 39 3.551 -9.250 -6.570 322 3HD2 LEU 39 2HD2 LEU 39 2.079 -8.564 -7.253 323 H LEU 40 H LEU 40 4.748 -8.238 -1.417 324 HA LEU 40 HA LEU 40 6.765 -6.286 -1.315 325 1HB LEU 40 1HB LEU 40 5.318 -7.093 0.643 326 2HB LEU 40 2HB LEU 40 6.403 -8.481 0.748 327 HG LEU 40 HG LEU 40 8.333 -6.751 0.975 328 1HD1 LEU 40 3HD1 LEU 40 7.015 -4.728 0.346 329 2HD1 LEU 40 1HD1 LEU 40 5.962 -4.995 1.752 330 3HD1 LEU 40 2HD1 LEU 40 7.677 -4.604 1.981 331 1HD2 LEU 40 3HD2 LEU 40 6.264 -7.139 3.162 332 2HD2 LEU 40 1HD2 LEU 40 7.619 -8.217 2.779 333 3HD2 LEU 40 2HD2 LEU 40 7.936 -6.592 3.410 334 H LYS 41 H LYS 41 7.109 -9.822 -1.116 335 HA LYS 41 HA LYS 41 9.995 -9.838 -1.151 336 1HB LYS 41 1HB LYS 41 7.879 -11.930 -1.799 337 2HB LYS 41 2HB LYS 41 9.620 -12.245 -1.761 338 1HG LYS 41 1HG LYS 41 9.760 -11.696 0.596 339 2HG LYS 41 2HG LYS 41 8.109 -11.071 0.613 340 1HD LYS 41 1HD LYS 41 8.140 -13.254 1.644 341 2HD LYS 41 2HD LYS 41 7.194 -13.301 0.147 342 1HE LYS 41 1HE LYS 41 9.075 -14.372 -1.044 343 2HE LYS 41 2HE LYS 41 10.108 -14.207 0.391 344 1HZ LYS 41 1HZ LYS 41 7.653 -15.808 0.215 345 2HZ LYS 41 2HZ LYS 41 9.195 -16.389 0.187 346 3HZ LYS 41 3HZ LYS 41 8.614 -15.663 1.547 347 H GLY 42 H GLY 42 7.531 -10.430 -3.634 348 1HA GLY 42 1HA GLY 42 9.420 -10.697 -5.822 349 2HA GLY 42 2HA GLY 42 7.653 -10.643 -5.916 350 H GLY 43 H GLY 43 10.207 -8.355 -4.837 351 1HA GLY 43 1HA GLY 43 9.631 -6.446 -7.002 352 2HA GLY 43 2HA GLY 43 9.137 -5.936 -5.373 353 H SER 44 H SER 44 11.819 -6.366 -7.550 354 HA SER 44 HA SER 44 14.012 -6.880 -6.138 355 1HB SER 44 1HB SER 44 13.871 -4.578 -8.126 356 2HB SER 44 2HB SER 44 15.214 -5.708 -7.854 357 HG SER 44 HG SER 44 13.848 -7.370 -8.648 358 H THR 45 H THR 45 12.482 -3.638 -6.247 359 HA THR 45 HA THR 45 13.297 -3.166 -3.540 360 HB THR 45 HB THR 45 14.133 -0.873 -3.918 361 HG1 THR 45 HG1 THR 45 14.312 -1.616 -6.635 362 1HG2 THR 45 3HG2 THR 45 15.813 -2.698 -3.670 363 2HG2 THR 45 1HG2 THR 45 15.897 -2.839 -5.440 364 3HG2 THR 45 2HG2 THR 45 16.389 -1.334 -4.647 365 H LEU 46 H LEU 46 11.887 -1.519 -2.648 366 HA LEU 46 HA LEU 46 9.237 -1.415 -3.699 367 1HB LEU 46 1HB LEU 46 10.609 0.629 -1.906 368 2HB LEU 46 2HB LEU 46 8.876 0.234 -1.943 369 HG LEU 46 HG LEU 46 11.218 -1.393 -0.911 370 1HD1 LEU 46 3HD1 LEU 46 10.519 0.446 0.541 371 2HD1 LEU 46 1HD1 LEU 46 8.842 -0.137 0.508 372 3HD1 LEU 46 2HD1 LEU 46 10.114 -1.114 1.281 373 1HD2 LEU 46 3HD2 LEU 46 8.242 -2.152 -0.984 374 2HD2 LEU 46 1HD2 LEU 46 9.542 -2.978 -1.871 375 3HD2 LEU 46 2HD2 LEU 46 9.493 -3.056 -0.106 376 H ASP 47 H ASP 47 12.030 0.713 -3.750 377 HA ASP 47 HA ASP 47 11.045 2.901 -5.153 378 1HB ASP 47 1HB ASP 47 13.810 1.621 -5.293 379 2HB ASP 47 2HB ASP 47 13.416 3.275 -5.782 380 H GLU 48 H GLU 48 12.696 0.081 -6.610 381 HA GLU 48 HA GLU 48 12.181 0.841 -9.299 382 1HB GLU 48 1HB GLU 48 12.597 -1.888 -8.030 383 2HB GLU 48 2HB GLU 48 12.354 -1.688 -9.766 384 1HG GLU 48 1HG GLU 48 14.564 -0.196 -8.282 385 2HG GLU 48 2HG GLU 48 14.789 -1.773 -9.059 386 H LEU 49 H LEU 49 10.189 -1.115 -7.089 387 HA LEU 49 HA LEU 49 8.150 -1.699 -8.972 388 1HB LEU 49 1HB LEU 49 8.589 -2.450 -6.442 389 2HB LEU 49 2HB LEU 49 7.413 -1.185 -6.091 390 HG LEU 49 HG LEU 49 7.054 -3.628 -7.894 391 1HD1 LEU 49 3HD1 LEU 49 7.099 -4.108 -5.466 392 2HD1 LEU 49 1HD1 LEU 49 5.812 -2.911 -5.205 393 3HD1 LEU 49 2HD1 LEU 49 5.488 -4.378 -6.151 394 1HD2 LEU 49 3HD2 LEU 49 5.083 -1.402 -7.220 395 2HD2 LEU 49 1HD2 LEU 49 5.665 -1.879 -8.835 396 3HD2 LEU 49 2HD2 LEU 49 4.626 -2.968 -7.924 397 H PHE 50 H PHE 50 8.510 1.017 -6.733 398 HA PHE 50 HA PHE 50 6.118 2.412 -7.257 399 1HB PHE 50 1HB PHE 50 7.721 2.770 -5.373 400 2HB PHE 50 2HB PHE 50 8.865 3.491 -6.486 401 HD1 PHE 50 HD2 PHE 50 5.658 3.909 -4.752 402 HD2 PHE 50 HD1 PHE 50 8.572 5.801 -7.296 403 HE1 PHE 50 HE2 PHE 50 4.949 6.113 -3.904 404 HE2 PHE 50 HE1 PHE 50 7.899 8.015 -6.406 405 HZ PHE 50 HZ PHE 50 6.225 8.152 -4.575 406 H GLU 51 H GLU 51 9.382 2.802 -8.729 407 HA GLU 51 HA GLU 51 8.594 4.769 -10.633 408 1HB GLU 51 1HB GLU 51 10.788 2.662 -10.724 409 2HB GLU 51 2HB GLU 51 10.629 3.982 -11.894 410 1HG GLU 51 1HG GLU 51 11.113 4.337 -8.899 411 2HG GLU 51 2HG GLU 51 12.291 4.578 -10.191 412 H GLU 52 H GLU 52 8.645 1.232 -10.825 413 HA GLU 52 HA GLU 52 7.844 0.994 -13.508 414 1HB GLU 52 1HB GLU 52 8.596 -0.847 -11.965 415 2HB GLU 52 2HB GLU 52 6.964 -0.902 -11.290 416 1HG GLU 52 1HG GLU 52 7.608 -1.278 -14.252 417 2HG GLU 52 2HG GLU 52 7.523 -2.603 -13.089 418 H LEU 53 H LEU 53 5.796 1.437 -10.618 419 HA LEU 53 HA LEU 53 3.326 1.498 -12.127 420 1HB LEU 53 1HB LEU 53 3.980 2.586 -9.363 421 2HB LEU 53 2HB LEU 53 2.375 2.357 -10.054 422 HG LEU 53 HG LEU 53 4.369 0.144 -9.437 423 1HD1 LEU 53 3HD1 LEU 53 3.384 1.206 -7.435 424 2HD1 LEU 53 1HD1 LEU 53 1.758 0.896 -8.083 425 3HD1 LEU 53 2HD1 LEU 53 2.815 -0.458 -7.646 426 1HD2 LEU 53 1HD2 LEU 53 2.943 -0.491 -11.359 427 2HD2 LEU 53 2HD2 LEU 53 2.602 -1.435 -9.924 428 3HD2 LEU 53 3HD2 LEU 53 1.499 -0.113 -10.380 429 H ASP 54 H ASP 54 5.147 4.123 -10.564 430 HA ASP 54 HA ASP 54 3.814 6.127 -12.340 431 1HB ASP 54 1HB ASP 54 3.576 6.645 -9.993 432 2HB ASP 54 2HB ASP 54 5.295 6.356 -9.697 433 H LYS 55 H LYS 55 5.008 6.127 -14.212 434 HA LYS 55 HA LYS 55 7.872 5.883 -14.318 435 1HB LYS 55 1HB LYS 55 5.990 7.042 -16.321 436 2HB LYS 55 2HB LYS 55 7.700 6.604 -16.537 437 1HG LYS 55 1HG LYS 55 5.436 4.648 -15.864 438 2HG LYS 55 2HG LYS 55 6.146 4.919 -17.464 439 1HD LYS 55 1HD LYS 55 8.405 4.245 -16.460 440 2HD LYS 55 2HD LYS 55 7.498 3.690 -15.044 441 1HE LYS 55 1HE LYS 55 7.179 2.690 -17.908 442 2HE LYS 55 2HE LYS 55 7.923 1.822 -16.555 443 1HZ LYS 55 3HZ LYS 55 5.793 1.846 -15.450 444 2HZ LYS 55 1HZ LYS 55 5.105 2.624 -16.727 445 3HZ LYS 55 2HZ LYS 55 5.698 1.099 -16.914 446 H ASN 56 H ASN 56 8.122 7.402 -12.649 447 HA ASN 56 HA ASN 56 8.565 9.340 -11.556 448 1HB ASN 56 1HB ASN 56 10.558 10.234 -12.109 449 2HB ASN 56 2HB ASN 56 10.625 8.694 -12.959 450 1HD2 ASN 56 1HD2 ASN 56 10.041 10.789 -16.124 451 2HD2 ASN 56 2HD2 ASN 56 8.959 9.715 -15.253 452 H GLY 57 H GLY 57 6.069 9.640 -12.764 453 1HA GLY 57 1HA GLY 57 5.983 12.174 -14.218 454 2HA GLY 57 2HA GLY 57 4.619 11.159 -13.742 455 H ASP 58 H ASP 58 3.893 11.241 -11.472 456 HA ASP 58 HA ASP 58 3.983 13.982 -10.415 457 1HB ASP 58 1HB ASP 58 2.052 13.162 -9.090 458 2HB ASP 58 2HB ASP 58 1.804 13.170 -10.837 459 H GLY 59 H GLY 59 5.320 10.823 -9.717 460 1HA GLY 59 1HA GLY 59 7.049 10.437 -8.254 461 2HA GLY 59 2HA GLY 59 6.812 12.014 -7.498 462 H GLU 60 H GLU 60 3.993 9.986 -7.874 463 HA GLU 60 HA GLU 60 4.166 8.414 -5.492 464 1HB GLU 60 1HB GLU 60 2.188 10.733 -5.527 465 2HB GLU 60 2HB GLU 60 2.155 9.325 -4.440 466 1HG GLU 60 1HG GLU 60 4.467 10.015 -3.642 467 2HG GLU 60 2HG GLU 60 4.178 11.563 -4.462 468 H VAL 61 H VAL 61 1.917 7.252 -5.327 469 HA VAL 61 HA VAL 61 1.280 6.556 -8.178 470 HB VAL 61 HB VAL 61 1.266 4.816 -5.720 471 1HG1 VAL 61 3HG1 VAL 61 -0.337 4.177 -7.597 472 2HG1 VAL 61 1HG1 VAL 61 1.078 4.027 -8.656 473 3HG1 VAL 61 2HG1 VAL 61 0.917 2.982 -7.232 474 1HG2 VAL 61 3HG2 VAL 61 3.239 5.115 -8.036 475 2HG2 VAL 61 1HG2 VAL 61 3.562 5.419 -6.320 476 3HG2 VAL 61 2HG2 VAL 61 3.262 3.771 -6.888 477 H SER 62 H SER 62 -0.505 7.622 -8.718 478 HA SER 62 HA SER 62 -2.909 7.794 -7.138 479 1HB SER 62 1HB SER 62 -2.813 7.934 -10.177 480 2HB SER 62 2HB SER 62 -3.857 8.801 -9.048 481 HG SER 62 HG SER 62 -1.091 9.255 -9.586 482 H PHE 63 H PHE 63 -4.986 6.718 -7.694 483 HA PHE 63 HA PHE 63 -4.773 3.986 -7.547 484 1HB PHE 63 1HB PHE 63 -6.767 5.226 -6.908 485 2HB PHE 63 2HB PHE 63 -7.169 5.490 -8.607 486 HD1 PHE 63 HD1 PHE 63 -6.306 2.679 -6.231 487 HD2 PHE 63 HD2 PHE 63 -8.649 3.903 -9.642 488 HE1 PHE 63 HE1 PHE 63 -7.441 0.482 -6.245 489 HE2 PHE 63 HE2 PHE 63 -9.799 1.709 -9.622 490 HZ PHE 63 HZ PHE 63 -9.228 0.012 -7.875 491 H GLU 64 H GLU 64 -5.477 5.854 -10.527 492 HA GLU 64 HA GLU 64 -5.830 3.633 -12.207 493 1HB GLU 64 1HB GLU 64 -5.516 5.238 -14.041 494 2HB GLU 64 2HB GLU 64 -6.668 5.777 -12.812 495 1HG GLU 64 1HG GLU 64 -3.816 6.724 -12.548 496 2HG GLU 64 2HG GLU 64 -4.802 7.388 -13.849 497 H GLU 65 H GLU 65 -2.813 4.919 -10.996 498 HA GLU 65 HA GLU 65 -1.282 3.400 -13.067 499 1HB GLU 65 1HB GLU 65 0.732 4.435 -11.975 500 2HB GLU 65 2HB GLU 65 -0.319 5.453 -12.958 501 1HG GLU 65 1HG GLU 65 -1.408 6.323 -10.895 502 2HG GLU 65 2HG GLU 65 -0.230 5.411 -9.927 503 H PHE 66 H PHE 66 -2.000 3.540 -9.563 504 HA PHE 66 HA PHE 66 -0.662 1.191 -8.717 505 1HB PHE 66 1HB PHE 66 -1.700 2.513 -7.093 506 2HB PHE 66 2HB PHE 66 -3.198 2.596 -7.962 507 HD1 PHE 66 HD1 PHE 66 -4.846 0.844 -7.950 508 HD2 PHE 66 HD2 PHE 66 -1.168 0.447 -5.762 509 HE1 PHE 66 HE1 PHE 66 -5.829 -1.024 -6.652 510 HE2 PHE 66 HE2 PHE 66 -2.240 -1.239 -4.268 511 HZ PHE 66 HZ PHE 66 -4.608 -1.888 -4.633 512 H GLN 67 H GLN 67 -3.691 1.545 -10.651 513 HA GLN 67 HA GLN 67 -4.405 -1.153 -10.647 514 1HB GLN 67 1HB GLN 67 -4.697 0.919 -12.835 515 2HB GLN 67 2HB GLN 67 -5.342 -0.713 -12.985 516 1HG GLN 67 1HG GLN 67 -6.127 1.218 -10.763 517 2HG GLN 67 2HG GLN 67 -7.050 0.887 -12.226 518 1HE2 GLN 67 1HE2 GLN 67 -7.360 -1.657 -9.100 519 2HE2 GLN 67 2HE2 GLN 67 -6.439 -0.168 -8.973 520 H VAL 68 H VAL 68 -1.507 0.133 -12.171 521 HA VAL 68 HA VAL 68 -1.078 -2.119 -13.924 522 HB VAL 68 HB VAL 68 0.891 -0.218 -12.607 523 1HG1 VAL 68 1HG1 VAL 68 1.302 -2.229 -14.857 524 2HG1 VAL 68 2HG1 VAL 68 2.452 -0.960 -14.393 525 3HG1 VAL 68 3HG1 VAL 68 2.079 -2.259 -13.258 526 1HG2 VAL 68 1HG2 VAL 68 -0.707 0.898 -14.156 527 2HG2 VAL 68 2HG2 VAL 68 0.928 0.861 -14.821 528 3HG2 VAL 68 3HG2 VAL 68 -0.295 -0.280 -15.416 529 H LEU 69 H LEU 69 -0.635 -1.575 -10.432 530 HA LEU 69 HA LEU 69 0.917 -4.004 -9.993 531 1HB LEU 69 1HB LEU 69 1.032 -2.068 -8.494 532 2HB LEU 69 2HB LEU 69 -0.665 -2.212 -8.079 533 HG LEU 69 HG LEU 69 1.064 -4.614 -7.583 534 1HD1 LEU 69 1HD1 LEU 69 1.077 -2.081 -5.880 535 2HD1 LEU 69 2HD1 LEU 69 1.740 -3.651 -5.386 536 3HD1 LEU 69 3HD1 LEU 69 2.463 -2.781 -6.745 537 1HD2 LEU 69 3HD2 LEU 69 -1.191 -3.224 -6.038 538 2HD2 LEU 69 1HD2 LEU 69 -1.380 -4.666 -7.049 539 3HD2 LEU 69 2HD2 LEU 69 -0.410 -4.740 -5.571 540 H VAL 70 H VAL 70 -2.522 -2.962 -9.774 541 HA VAL 70 HA VAL 70 -3.531 -5.507 -8.977 542 HB VAL 70 HB VAL 70 -4.917 -3.353 -10.633 543 1HG1 VAL 70 1HG1 VAL 70 -6.003 -5.805 -9.214 544 2HG1 VAL 70 2HG1 VAL 70 -7.001 -4.406 -9.678 545 3HG1 VAL 70 3HG1 VAL 70 -6.170 -5.354 -10.913 546 1HG2 VAL 70 3HG2 VAL 70 -4.490 -3.822 -7.663 547 2HG2 VAL 70 1HG2 VAL 70 -4.272 -2.342 -8.592 548 3HG2 VAL 70 2HG2 VAL 70 -5.906 -2.936 -8.240 549 H LYS 71 H LYS 71 -2.849 -4.220 -12.267 550 HA LYS 71 HA LYS 71 -3.721 -6.474 -13.709 551 1HB LYS 71 1HB LYS 71 -3.140 -4.539 -14.933 552 2HB LYS 71 2HB LYS 71 -1.540 -4.446 -14.213 553 1HG LYS 71 1HG LYS 71 -1.342 -5.178 -16.481 554 2HG LYS 71 2HG LYS 71 -0.799 -6.446 -15.376 555 1HD LYS 71 1HD LYS 71 -3.004 -7.621 -15.681 556 2HD LYS 71 2HD LYS 71 -3.549 -6.302 -16.735 557 1HE LYS 71 1HE LYS 71 -1.715 -6.834 -18.331 558 2HE LYS 71 2HE LYS 71 -1.153 -8.129 -17.256 559 1HZ LYS 71 3HZ LYS 71 -3.255 -9.212 -17.563 560 2HZ LYS 71 1HZ LYS 71 -3.781 -8.010 -18.561 561 3HZ LYS 71 2HZ LYS 71 -2.515 -8.963 -19.014 562 H LYS 72 H LYS 72 -0.478 -5.858 -12.363 563 HA LYS 72 HA LYS 72 0.598 -8.428 -12.831 564 1HB LYS 72 1HB LYS 72 1.204 -6.377 -10.691 565 2HB LYS 72 2HB LYS 72 1.871 -8.001 -10.583 566 1HG LYS 72 1HG LYS 72 3.524 -6.743 -11.610 567 2HG LYS 72 2HG LYS 72 2.834 -7.753 -12.885 568 1HD LYS 72 1HD LYS 72 1.469 -5.771 -13.640 569 2HD LYS 72 2HD LYS 72 2.244 -4.797 -12.374 570 1HE LYS 72 1HE LYS 72 3.724 -6.183 -14.656 571 2HE LYS 72 2HE LYS 72 3.240 -4.479 -14.642 572 1HZ LYS 72 1HZ LYS 72 5.056 -5.716 -12.701 573 2HZ LYS 72 2HZ LYS 72 5.493 -4.755 -13.965 574 3HZ LYS 72 3HZ LYS 72 4.597 -4.130 -12.734 575 H ILE 73 H ILE 73 -1.373 -7.450 -10.026 576 HA ILE 73 HA ILE 73 -1.388 -10.044 -8.786 577 HB ILE 73 HB ILE 73 -3.526 -7.876 -8.676 578 1HG1 ILE 73 1HG1 ILE 73 -1.291 -8.638 -6.745 579 2HG1 ILE 73 2HG1 ILE 73 -1.302 -7.206 -7.787 580 1HG2 ILE 73 3HG2 ILE 73 -4.469 -10.103 -8.055 581 2HG2 ILE 73 1HG2 ILE 73 -3.173 -10.299 -6.864 582 3HG2 ILE 73 2HG2 ILE 73 -4.404 -9.026 -6.698 583 1HD1 ILE 73 3HD1 ILE 73 -3.325 -6.365 -6.621 584 2HD1 ILE 73 1HD1 ILE 73 -3.209 -7.727 -5.482 585 3HD1 ILE 73 2HD1 ILE 73 -1.917 -6.545 -5.554 586 H SER 74 H SER 74 -3.306 -8.677 -11.391 587 HA SER 74 HA SER 74 -4.751 -9.375 -12.849 588 1HB SER 74 1HB SER 74 -4.848 -11.567 -13.675 589 2HB SER 74 2HB SER 74 -3.171 -11.233 -13.192 590 HG SER 74 HG SER 74 -3.582 -12.435 -11.284 591 H GLN 75 H GLN 75 -5.095 -11.294 -9.907 592 HA GLN 75 HA GLN 75 -8.000 -11.363 -10.011 593 1HB GLN 75 1HB GLN 75 -6.220 -11.792 -7.577 594 2HB GLN 75 2HB GLN 75 -7.862 -12.392 -7.849 595 1HG GLN 75 1HG GLN 75 -5.296 -13.294 -9.245 596 2HG GLN 75 2HG GLN 75 -6.322 -14.216 -8.154 597 1HE2 GLN 75 1HE2 GLN 75 -7.200 -14.181 -12.110 598 2HE2 GLN 75 2HE2 GLN 75 -5.761 -13.381 -11.498 No H/Q in entry = 598 Start of MODEL 20 Raw file had 599 H/Q atoms Start of MODEL 20 1 1H LYS 1 1H LYS 1 -7.573 -10.919 -4.876 2 2H LYS 1 2H LYS 1 -6.409 -9.718 -4.699 3 3H LYS 1 3H LYS 1 -6.885 -10.630 -3.368 4 HA LYS 1 HA LYS 1 -9.063 -9.698 -3.409 5 1HB LYS 1 1HB LYS 1 -6.936 -7.567 -3.528 6 2HB LYS 1 2HB LYS 1 -8.542 -7.494 -2.766 7 1HG LYS 1 1HG LYS 1 -7.709 -9.686 -1.495 8 2HG LYS 1 2HG LYS 1 -6.107 -9.127 -1.991 9 1HD LYS 1 1HD LYS 1 -6.766 -6.856 -0.937 10 2HD LYS 1 2HD LYS 1 -8.230 -7.682 -0.369 11 1HE LYS 1 1HE LYS 1 -6.501 -7.588 1.422 12 2HE LYS 1 2HE LYS 1 -6.825 -9.266 0.952 13 1HZ LYS 1 1HZ LYS 1 -4.577 -7.641 -0.027 14 2HZ LYS 1 2HZ LYS 1 -4.462 -8.778 1.153 15 3HZ LYS 1 3HZ LYS 1 -4.851 -9.221 -0.379 16 H SER 2 H SER 2 -10.685 -8.647 -4.649 17 HA SER 2 HA SER 2 -10.141 -8.259 -7.449 18 1HB SER 2 1HB SER 2 -12.793 -7.652 -7.079 19 2HB SER 2 2HB SER 2 -12.127 -9.289 -7.217 20 HG SER 2 HG SER 2 -12.910 -7.936 -4.888 21 HA PRO 3 HA PRO 3 -9.424 -4.055 -7.976 22 1HB PRO 3 1HB PRO 3 -12.150 -3.773 -9.278 23 2HB PRO 3 2HB PRO 3 -10.597 -3.029 -9.773 24 1HG PRO 3 1HG PRO 3 -11.403 -5.309 -10.980 25 2HG PRO 3 2HG PRO 3 -9.710 -5.173 -10.417 26 1HD PRO 3 1HD PRO 3 -12.006 -6.622 -9.102 27 2HD PRO 3 2HD PRO 3 -10.297 -7.113 -9.293 28 H GLU 4 H GLU 4 -12.888 -4.337 -6.955 29 HA GLU 4 HA GLU 4 -13.039 -1.769 -5.757 30 1HB GLU 4 1HB GLU 4 -14.569 -4.329 -5.104 31 2HB GLU 4 2HB GLU 4 -15.002 -2.703 -4.557 32 1HG GLU 4 1HG GLU 4 -15.273 -1.955 -6.899 33 2HG GLU 4 2HG GLU 4 -14.837 -3.566 -7.489 34 H GLU 5 H GLU 5 -11.888 -4.869 -4.497 35 HA GLU 5 HA GLU 5 -11.794 -3.972 -1.715 36 1HB GLU 5 1HB GLU 5 -10.772 -6.452 -3.172 37 2HB GLU 5 2HB GLU 5 -10.419 -6.112 -1.478 38 1HG GLU 5 1HG GLU 5 -12.370 -7.617 -1.734 39 2HG GLU 5 2HG GLU 5 -12.752 -6.124 -0.870 40 H LEU 6 H LEU 6 -9.603 -4.377 -4.472 41 HA LEU 6 HA LEU 6 -7.256 -3.414 -3.190 42 1HB LEU 6 1HB LEU 6 -8.151 -3.460 -6.094 43 2HB LEU 6 2HB LEU 6 -6.651 -2.760 -5.592 44 HG LEU 6 HG LEU 6 -7.381 -5.517 -4.559 45 1HD1 LEU 6 1HD1 LEU 6 -6.125 -5.011 -7.257 46 2HD1 LEU 6 2HD1 LEU 6 -6.168 -6.576 -6.416 47 3HD1 LEU 6 3HD1 LEU 6 -7.683 -5.803 -6.951 48 1HD2 LEU 6 3HD2 LEU 6 -4.737 -4.164 -5.341 49 2HD2 LEU 6 1HD2 LEU 6 -5.312 -4.378 -3.676 50 3HD2 LEU 6 2HD2 LEU 6 -4.881 -5.784 -4.670 51 H LYS 7 H LYS 7 -9.936 -1.616 -4.790 52 HA LYS 7 HA LYS 7 -8.764 0.931 -4.439 53 1HB LYS 7 1HB LYS 7 -10.876 0.099 -5.771 54 2HB LYS 7 2HB LYS 7 -11.725 0.398 -4.275 55 1HG LYS 7 1HG LYS 7 -10.292 2.296 -6.167 56 2HG LYS 7 2HG LYS 7 -11.986 2.317 -5.704 57 1HD LYS 7 1HD LYS 7 -11.334 3.182 -3.462 58 2HD LYS 7 2HD LYS 7 -9.617 3.109 -3.945 59 1HE LYS 7 1HE LYS 7 -10.022 4.645 -5.817 60 2HE LYS 7 2HE LYS 7 -11.727 4.798 -5.339 61 1HZ LYS 7 1HZ LYS 7 -9.406 5.562 -3.706 62 2HZ LYS 7 2HZ LYS 7 -10.377 6.593 -4.546 63 3HZ LYS 7 3HZ LYS 7 -10.990 5.741 -3.277 64 H GLY 8 H GLY 8 -10.952 -0.948 -2.338 65 1HA GLY 8 1HA GLY 8 -11.210 0.886 -0.193 66 2HA GLY 8 2HA GLY 8 -11.264 -0.879 -0.032 67 H ILE 9 H ILE 9 -8.837 -1.727 -0.624 68 HA ILE 9 HA ILE 9 -7.109 -1.286 1.597 69 HB ILE 9 HB ILE 9 -6.723 -2.443 -1.165 70 1HG1 ILE 9 1HG1 ILE 9 -8.339 -3.390 0.702 71 2HG1 ILE 9 2HG1 ILE 9 -7.332 -4.470 -0.270 72 1HG2 ILE 9 1HG2 ILE 9 -4.795 -2.342 1.153 73 2HG2 ILE 9 2HG2 ILE 9 -4.701 -3.569 -0.137 74 3HG2 ILE 9 3HG2 ILE 9 -4.544 -1.856 -0.533 75 1HD1 ILE 9 1HD1 ILE 9 -6.571 -3.469 2.508 76 2HD1 ILE 9 2HD1 ILE 9 -7.432 -4.986 2.184 77 3HD1 ILE 9 3HD1 ILE 9 -5.799 -4.767 1.551 78 H PHE 10 H PHE 10 -6.958 -0.034 -1.786 79 HA PHE 10 HA PHE 10 -4.619 1.473 -1.521 80 1HB PHE 10 1HB PHE 10 -5.829 0.970 -3.642 81 2HB PHE 10 2HB PHE 10 -7.091 2.087 -3.182 82 HD1 PHE 10 HD1 PHE 10 -6.503 4.553 -2.797 83 HD2 PHE 10 HD2 PHE 10 -3.836 1.738 -4.702 84 HE1 PHE 10 HE1 PHE 10 -4.975 6.341 -3.396 85 HE2 PHE 10 HE2 PHE 10 -2.551 3.640 -5.664 86 HZ PHE 10 HZ PHE 10 -3.144 5.950 -5.069 87 H GLU 11 H GLU 11 -8.033 2.418 -0.842 88 HA GLU 11 HA GLU 11 -7.435 5.082 0.004 89 1HB GLU 11 1HB GLU 11 -9.763 3.239 0.646 90 2HB GLU 11 2HB GLU 11 -9.670 4.929 1.165 91 1HG GLU 11 1HG GLU 11 -9.494 5.710 -1.134 92 2HG GLU 11 2HG GLU 11 -9.457 4.056 -1.745 93 H LYS 12 H LYS 12 -7.899 2.079 1.926 94 HA LYS 12 HA LYS 12 -7.488 2.915 4.545 95 1HB LYS 12 1HB LYS 12 -7.980 0.668 4.152 96 2HB LYS 12 2HB LYS 12 -6.591 0.451 3.102 97 1HG LYS 12 1HG LYS 12 -6.068 -0.626 5.080 98 2HG LYS 12 2HG LYS 12 -5.052 0.813 4.966 99 1HD LYS 12 1HD LYS 12 -6.629 1.992 6.548 100 2HD LYS 12 2HD LYS 12 -7.527 0.473 6.717 101 1HE LYS 12 1HE LYS 12 -4.596 0.963 7.448 102 2HE LYS 12 2HE LYS 12 -5.948 0.796 8.581 103 1HZ LYS 12 3HZ LYS 12 -6.234 -1.456 7.729 104 2HZ LYS 12 1HZ LYS 12 -4.876 -1.283 6.804 105 3HZ LYS 12 2HZ LYS 12 -4.767 -1.220 8.440 106 H TYR 13 H TYR 13 -4.861 2.181 2.211 107 HA TYR 13 HA TYR 13 -2.910 3.202 4.168 108 1HB TYR 13 1HB TYR 13 -2.592 1.983 1.436 109 2HB TYR 13 2HB TYR 13 -1.253 2.543 2.444 110 HD1 TYR 13 HD1 TYR 13 -0.997 1.639 4.783 111 HD2 TYR 13 HD2 TYR 13 -3.811 -0.094 2.053 112 HE1 TYR 13 HE1 TYR 13 -1.376 -0.258 6.347 113 HE2 TYR 13 HE2 TYR 13 -4.227 -1.923 3.570 114 HH TYR 13 HH TYR 13 -3.641 -2.915 5.653 115 H ALA 14 H ALA 14 -4.095 4.285 0.999 116 HA ALA 14 HA ALA 14 -2.420 6.526 0.677 117 1HB ALA 14 1HB ALA 14 -5.305 6.140 -0.197 118 2HB ALA 14 2HB ALA 14 -4.193 7.358 -0.841 119 3HB ALA 14 3HB ALA 14 -3.859 5.641 -1.106 120 H ALA 15 H ALA 15 -5.436 6.244 2.506 121 HA ALA 15 HA ALA 15 -5.890 8.899 3.191 122 1HB ALA 15 1HB ALA 15 -6.103 6.432 4.976 123 2HB ALA 15 2HB ALA 15 -6.865 8.002 5.299 124 3HB ALA 15 3HB ALA 15 -7.366 7.055 3.882 125 H LYS 16 H LYS 16 -3.315 6.710 4.380 126 HA LYS 16 HA LYS 16 -2.572 8.364 6.622 127 1HB LYS 16 1HB LYS 16 -0.951 6.231 5.202 128 2HB LYS 16 2HB LYS 16 -0.670 6.877 6.819 129 1HG LYS 16 1HG LYS 16 -2.838 5.950 7.577 130 2HG LYS 16 2HG LYS 16 -3.140 5.281 5.961 131 1HD LYS 16 1HD LYS 16 -0.994 3.988 6.125 132 2HD LYS 16 2HD LYS 16 -0.833 4.520 7.806 133 1HE LYS 16 1HE LYS 16 -3.149 2.896 6.632 134 2HE LYS 16 2HE LYS 16 -1.837 2.255 7.637 135 1HZ LYS 16 3HZ LYS 16 -2.593 3.693 9.405 136 2HZ LYS 16 1HZ LYS 16 -3.838 4.235 8.470 137 3HZ LYS 16 2HZ LYS 16 -3.780 2.654 8.927 138 H GLU 17 H GLU 17 -1.735 8.227 3.176 139 HA GLU 17 HA GLU 17 0.577 10.010 3.337 140 1HB GLU 17 1HB GLU 17 0.123 8.547 1.328 141 2HB GLU 17 2HB GLU 17 -1.340 9.486 1.011 142 1HG GLU 17 1HG GLU 17 0.191 11.570 0.921 143 2HG GLU 17 2HG GLU 17 1.531 10.424 0.839 144 H GLY 18 H GLY 18 -2.887 10.204 2.689 145 1HA GLY 18 1HA GLY 18 -3.948 12.117 4.074 146 2HA GLY 18 2HA GLY 18 -2.931 13.179 3.083 147 H ASP 19 H ASP 19 -2.984 12.292 0.614 148 HA ASP 19 HA ASP 19 -5.680 12.823 -0.286 149 1HB ASP 19 1HB ASP 19 -3.852 13.685 -1.580 150 2HB ASP 19 2HB ASP 19 -3.141 12.073 -1.753 151 HA PRO 20 HA PRO 20 -6.545 8.361 0.262 152 1HB PRO 20 1HB PRO 20 -9.074 8.345 -0.900 153 2HB PRO 20 2HB PRO 20 -8.729 8.753 0.816 154 1HG PRO 20 1HG PRO 20 -9.139 10.590 -1.552 155 2HG PRO 20 2HG PRO 20 -9.807 10.763 0.097 156 1HD PRO 20 1HD PRO 20 -7.665 12.160 -0.695 157 2HD PRO 20 2HD PRO 20 -7.714 11.472 0.955 158 H ASN 21 H ASN 21 -6.614 10.205 -2.719 159 HA ASN 21 HA ASN 21 -6.982 7.944 -4.508 160 1HB ASN 21 1HB ASN 21 -6.197 10.821 -5.086 161 2HB ASN 21 2HB ASN 21 -6.791 9.627 -6.232 162 1HD2 ASN 21 1HD2 ASN 21 -9.410 11.761 -3.978 163 2HD2 ASN 21 2HD2 ASN 21 -7.670 11.938 -3.767 164 H GLN 22 H GLN 22 -4.223 9.029 -2.780 165 HA GLN 22 HA GLN 22 -2.380 8.024 -4.891 166 1HB GLN 22 1HB GLN 22 -2.708 10.433 -5.081 167 2HB GLN 22 2HB GLN 22 -2.164 10.654 -3.415 168 1HG GLN 22 1HG GLN 22 0.073 9.931 -4.005 169 2HG GLN 22 2HG GLN 22 -0.471 9.325 -5.581 170 1HE2 GLN 22 1HE2 GLN 22 0.521 13.240 -5.257 171 2HE2 GLN 22 2HE2 GLN 22 0.754 12.134 -3.912 172 H LEU 23 H LEU 23 -0.719 6.735 -4.173 173 HA LEU 23 HA LEU 23 -0.312 6.410 -1.246 174 1HB LEU 23 1HB LEU 23 0.304 4.639 -3.627 175 2HB LEU 23 2HB LEU 23 0.798 4.340 -1.981 176 HG LEU 23 HG LEU 23 -2.129 4.603 -2.708 177 1HD1 LEU 23 3HD1 LEU 23 -1.047 2.756 -4.026 178 2HD1 LEU 23 1HD1 LEU 23 -0.408 2.095 -2.511 179 3HD1 LEU 23 2HD1 LEU 23 -2.156 2.124 -2.785 180 1HD2 LEU 23 1HD2 LEU 23 -1.471 4.746 -0.274 181 2HD2 LEU 23 2HD2 LEU 23 -2.509 3.364 -0.663 182 3HD2 LEU 23 3HD2 LEU 23 -0.770 3.120 -0.419 183 H SER 24 H SER 24 1.658 6.874 -0.391 184 HA SER 24 HA SER 24 3.927 7.755 -2.011 185 1HB SER 24 1HB SER 24 4.950 8.172 0.150 186 2HB SER 24 2HB SER 24 3.271 8.711 0.251 187 HG SER 24 HG SER 24 3.321 7.424 1.959 188 H LYS 25 H LYS 25 6.133 6.653 -1.336 189 HA LYS 25 HA LYS 25 6.128 3.892 -1.981 190 1HB LYS 25 1HB LYS 25 8.164 5.587 -0.423 191 2HB LYS 25 2HB LYS 25 8.449 3.916 -0.927 192 1HG LYS 25 1HG LYS 25 8.187 4.548 -3.286 193 2HG LYS 25 2HG LYS 25 7.941 6.242 -2.813 194 1HD LYS 25 1HD LYS 25 10.199 6.278 -1.784 195 2HD LYS 25 2HD LYS 25 10.442 4.580 -2.246 196 1HE LYS 25 1HE LYS 25 10.199 5.184 -4.640 197 2HE LYS 25 2HE LYS 25 9.931 6.879 -4.194 198 1HZ LYS 25 3HZ LYS 25 12.124 6.911 -3.252 199 2HZ LYS 25 1HZ LYS 25 12.377 5.336 -3.672 200 3HZ LYS 25 2HZ LYS 25 12.178 6.480 -4.841 201 H GLU 26 H GLU 26 6.167 5.581 1.174 202 HA GLU 26 HA GLU 26 6.464 3.172 2.695 203 1HB GLU 26 1HB GLU 26 7.052 5.432 3.572 204 2HB GLU 26 2HB GLU 26 5.345 5.914 3.499 205 1HG GLU 26 1HG GLU 26 4.756 4.264 5.208 206 2HG GLU 26 2HG GLU 26 6.403 3.602 5.182 207 H GLU 27 H GLU 27 3.621 5.089 1.760 208 HA GLU 27 HA GLU 27 1.763 3.362 3.116 209 1HB GLU 27 1HB GLU 27 1.496 5.345 0.863 210 2HB GLU 27 2HB GLU 27 0.170 4.254 1.276 211 1HG GLU 27 1HG GLU 27 -0.122 6.356 2.461 212 2HG GLU 27 2HG GLU 27 0.087 4.982 3.552 213 H LEU 28 H LEU 28 3.061 3.201 -0.315 214 HA LEU 28 HA LEU 28 1.787 0.721 -0.852 215 1HB LEU 28 1HB LEU 28 4.334 2.032 -1.844 216 2HB LEU 28 2HB LEU 28 3.945 0.377 -2.347 217 HG LEU 28 HG LEU 28 1.872 2.507 -2.438 218 1HD1 LEU 28 1HD1 LEU 28 3.952 2.007 -4.583 219 2HD1 LEU 28 2HD1 LEU 28 2.455 2.949 -4.813 220 3HD1 LEU 28 3HD1 LEU 28 3.671 3.508 -3.648 221 1HD2 LEU 28 1HD2 LEU 28 1.175 0.113 -2.890 222 2HD2 LEU 28 2HD2 LEU 28 0.985 1.102 -4.344 223 3HD2 LEU 28 3HD2 LEU 28 2.383 0.027 -4.182 224 H LYS 29 H LYS 29 4.839 1.296 0.873 225 HA LYS 29 HA LYS 29 5.509 -1.488 0.915 226 1HB LYS 29 1HB LYS 29 7.017 0.443 1.590 227 2HB LYS 29 2HB LYS 29 6.067 0.671 3.031 228 1HG LYS 29 1HG LYS 29 6.643 -1.625 3.820 229 2HG LYS 29 2HG LYS 29 7.608 -1.881 2.353 230 1HD LYS 29 1HD LYS 29 9.101 -0.029 2.984 231 2HD LYS 29 2HD LYS 29 8.115 0.325 4.412 232 1HE LYS 29 1HE LYS 29 9.557 -2.329 3.928 233 2HE LYS 29 2HE LYS 29 10.194 -0.995 4.902 234 1HZ LYS 29 3HZ LYS 29 8.270 -1.189 6.318 235 2HZ LYS 29 1HZ LYS 29 7.725 -2.493 5.472 236 3HZ LYS 29 2HZ LYS 29 9.152 -2.577 6.282 237 H LEU 30 H LEU 30 3.852 0.515 3.319 238 HA LEU 30 HA LEU 30 3.189 -1.668 5.035 239 1HB LEU 30 1HB LEU 30 2.045 1.117 4.643 240 2HB LEU 30 2HB LEU 30 1.144 -0.046 5.618 241 HG LEU 30 HG LEU 30 2.993 -0.369 7.143 242 1HD1 LEU 30 1HD1 LEU 30 4.486 1.741 5.528 243 2HD1 LEU 30 2HD1 LEU 30 4.989 1.089 7.095 244 3HD1 LEU 30 3HD1 LEU 30 4.946 0.028 5.683 245 1HD2 LEU 30 1HD2 LEU 30 1.337 1.419 7.558 246 2HD2 LEU 30 2HD2 LEU 30 2.931 1.863 8.193 247 3HD2 LEU 30 3HD2 LEU 30 2.354 2.576 6.672 248 H LEU 31 H LEU 31 1.288 -0.289 2.386 249 HA LEU 31 HA LEU 31 -0.938 -1.988 2.520 250 1HB LEU 31 1HB LEU 31 -0.627 -0.019 1.052 251 2HB LEU 31 2HB LEU 31 0.462 -0.936 0.018 252 HG LEU 31 HG LEU 31 -2.404 -1.767 0.550 253 1HD1 LEU 31 1HD1 LEU 31 -1.276 0.007 -1.661 254 2HD1 LEU 31 2HD1 LEU 31 -2.932 -0.617 -1.634 255 3HD1 LEU 31 3HD1 LEU 31 -2.402 0.520 -0.387 256 1HD2 LEU 31 3HD2 LEU 31 -0.410 -2.440 -1.672 257 2HD2 LEU 31 1HD2 LEU 31 -1.130 -3.563 -0.501 258 3HD2 LEU 31 2HD2 LEU 31 -2.137 -2.834 -1.743 259 H LEU 32 H LEU 32 2.067 -2.462 0.692 260 HA LEU 32 HA LEU 32 1.472 -5.040 -0.364 261 1HB LEU 32 1HB LEU 32 4.115 -3.688 0.327 262 2HB LEU 32 2HB LEU 32 4.030 -5.248 -0.485 263 HG LEU 32 HG LEU 32 2.654 -2.814 -1.664 264 1HD1 LEU 32 1HD1 LEU 32 5.512 -3.774 -2.142 265 2HD1 LEU 32 2HD1 LEU 32 4.670 -2.509 -3.064 266 3HD1 LEU 32 3HD1 LEU 32 5.047 -2.252 -1.355 267 1HD2 LEU 32 3HD2 LEU 32 3.703 -5.411 -2.848 268 2HD2 LEU 32 1HD2 LEU 32 1.992 -5.005 -2.573 269 3HD2 LEU 32 2HD2 LEU 32 2.941 -4.085 -3.751 270 H GLN 33 H GLN 33 3.403 -4.141 2.504 271 HA GLN 33 HA GLN 33 4.097 -6.767 3.224 272 1HB GLN 33 1HB GLN 33 5.261 -4.662 3.808 273 2HB GLN 33 2HB GLN 33 3.951 -4.228 4.917 274 1HG GLN 33 1HG GLN 33 4.510 -6.072 6.384 275 2HG GLN 33 2HG GLN 33 5.593 -6.775 5.168 276 1HE2 GLN 33 1HE2 GLN 33 8.202 -5.204 6.995 277 2HE2 GLN 33 2HE2 GLN 33 7.429 -6.720 6.569 278 H THR 34 H THR 34 1.482 -4.662 4.366 279 HA THR 34 HA THR 34 0.632 -6.542 6.402 280 HB THR 34 HB THR 34 -0.897 -4.145 5.313 281 HG1 THR 34 HG1 THR 34 1.058 -3.416 5.935 282 1HG2 THR 34 1HG2 THR 34 -0.929 -5.551 8.021 283 2HG2 THR 34 2HG2 THR 34 -1.828 -4.080 7.602 284 3HG2 THR 34 3HG2 THR 34 -2.225 -5.614 6.805 285 H GLU 35 H GLU 35 -0.670 -5.582 3.131 286 HA GLU 35 HA GLU 35 -2.924 -7.410 3.557 287 1HB GLU 35 1HB GLU 35 -2.316 -5.415 1.345 288 2HB GLU 35 2HB GLU 35 -3.828 -6.260 1.620 289 1HG GLU 35 1HG GLU 35 -2.509 -4.242 3.507 290 2HG GLU 35 2HG GLU 35 -3.845 -3.923 2.423 291 H PHE 36 H PHE 36 0.016 -7.229 1.606 292 HA PHE 36 HA PHE 36 -0.745 -9.804 0.279 293 1HB PHE 36 1HB PHE 36 0.637 -7.423 -0.986 294 2HB PHE 36 2HB PHE 36 0.355 -8.973 -1.749 295 HD1 PHE 36 HD1 PHE 36 -1.152 -5.826 -0.632 296 HD2 PHE 36 HD2 PHE 36 -1.919 -9.578 -2.585 297 HE1 PHE 36 HE1 PHE 36 -3.403 -5.010 -1.316 298 HE2 PHE 36 HE2 PHE 36 -4.101 -8.660 -3.448 299 HZ PHE 36 HZ PHE 36 -4.934 -6.514 -2.557 300 HA PRO 37 HA PRO 37 3.431 -9.678 2.516 301 1HB PRO 37 1HB PRO 37 3.141 -12.012 3.946 302 2HB PRO 37 2HB PRO 37 2.608 -10.408 4.522 303 1HG PRO 37 1HG PRO 37 0.925 -12.538 3.188 304 2HG PRO 37 2HG PRO 37 0.548 -11.605 4.667 305 1HD PRO 37 1HD PRO 37 -0.456 -10.915 2.247 306 2HD PRO 37 2HD PRO 37 0.049 -9.644 3.386 307 H SER 38 H SER 38 1.535 -12.086 0.738 308 HA SER 38 HA SER 38 3.427 -14.036 0.177 309 1HB SER 38 1HB SER 38 1.291 -13.195 -1.791 310 2HB SER 38 2HB SER 38 1.755 -14.821 -1.253 311 HG SER 38 HG SER 38 -0.226 -14.179 -0.297 312 H LEU 39 H LEU 39 3.003 -10.798 -1.119 313 HA LEU 39 HA LEU 39 4.487 -11.261 -3.596 314 1HB LEU 39 1HB LEU 39 3.386 -8.895 -2.084 315 2HB LEU 39 2HB LEU 39 4.389 -8.663 -3.532 316 HG LEU 39 HG LEU 39 1.713 -10.117 -3.387 317 1HD1 LEU 39 3HD1 LEU 39 1.675 -7.592 -3.185 318 2HD1 LEU 39 1HD1 LEU 39 2.488 -7.497 -4.755 319 3HD1 LEU 39 2HD1 LEU 39 0.861 -8.200 -4.637 320 1HD2 LEU 39 3HD2 LEU 39 3.552 -9.593 -5.764 321 2HD2 LEU 39 1HD2 LEU 39 2.980 -11.172 -5.177 322 3HD2 LEU 39 2HD2 LEU 39 1.842 -10.045 -5.910 323 H LEU 40 H LEU 40 5.301 -10.513 -0.253 324 HA LEU 40 HA LEU 40 7.863 -9.258 -0.991 325 1HB LEU 40 1HB LEU 40 6.734 -10.085 1.667 326 2HB LEU 40 2HB LEU 40 8.368 -9.469 1.344 327 HG LEU 40 HG LEU 40 7.534 -7.341 0.535 328 1HD1 LEU 40 1HD1 LEU 40 4.760 -8.467 1.098 329 2HD1 LEU 40 2HD1 LEU 40 5.109 -6.739 0.913 330 3HD1 LEU 40 3HD1 LEU 40 5.381 -7.834 -0.443 331 1HD2 LEU 40 1HD2 LEU 40 8.001 -7.646 2.943 332 2HD2 LEU 40 2HD2 LEU 40 6.705 -6.467 2.682 333 3HD2 LEU 40 3HD2 LEU 40 6.311 -8.120 3.212 334 H LYS 41 H LYS 41 8.381 -10.932 -2.288 335 HA LYS 41 HA LYS 41 9.662 -13.380 -1.136 336 1HB LYS 41 1HB LYS 41 8.840 -12.552 -3.962 337 2HB LYS 41 2HB LYS 41 9.745 -14.010 -3.559 338 1HG LYS 41 1HG LYS 41 7.889 -14.872 -2.210 339 2HG LYS 41 2HG LYS 41 7.033 -13.342 -2.346 340 1HD LYS 41 1HD LYS 41 6.039 -14.985 -3.838 341 2HD LYS 41 2HD LYS 41 6.690 -13.609 -4.726 342 1HE LYS 41 1HE LYS 41 7.168 -15.758 -5.862 343 2HE LYS 41 2HE LYS 41 8.656 -14.916 -5.422 344 1HZ LYS 41 1HZ LYS 41 7.427 -17.121 -3.912 345 2HZ LYS 41 2HZ LYS 41 8.740 -17.245 -4.903 346 3HZ LYS 41 3HZ LYS 41 8.833 -16.352 -3.522 347 H GLY 42 H GLY 42 10.262 -11.154 -3.826 348 1HA GLY 42 1HA GLY 42 12.591 -9.848 -3.248 349 2HA GLY 42 2HA GLY 42 13.114 -11.477 -3.758 350 H GLY 43 H GLY 43 13.663 -9.201 -5.348 351 1HA GLY 43 1HA GLY 43 13.311 -9.676 -7.920 352 2HA GLY 43 2HA GLY 43 11.677 -9.097 -7.520 353 H SER 44 H SER 44 12.025 -7.175 -8.837 354 HA SER 44 HA SER 44 14.001 -5.257 -8.513 355 1HB SER 44 1HB SER 44 11.039 -4.700 -8.930 356 2HB SER 44 2HB SER 44 12.422 -3.836 -9.629 357 HG SER 44 HG SER 44 12.897 -5.758 -10.809 358 H THR 45 H THR 45 14.215 -3.425 -7.152 359 HA THR 45 HA THR 45 13.365 -3.696 -4.448 360 HB THR 45 HB THR 45 14.196 -1.351 -4.211 361 HG1 THR 45 HG1 THR 45 14.716 -1.469 -6.986 362 1HG2 THR 45 3HG2 THR 45 15.824 -3.197 -4.150 363 2HG2 THR 45 1HG2 THR 45 16.035 -3.106 -5.908 364 3HG2 THR 45 2HG2 THR 45 16.518 -1.740 -4.886 365 H LEU 46 H LEU 46 11.901 -2.356 -3.212 366 HA LEU 46 HA LEU 46 9.384 -1.741 -4.175 367 1HB LEU 46 1HB LEU 46 9.958 -1.755 -1.780 368 2HB LEU 46 2HB LEU 46 11.083 -0.410 -2.022 369 HG LEU 46 HG LEU 46 9.206 1.107 -2.557 370 1HD1 LEU 46 1HD1 LEU 46 7.449 -1.301 -1.877 371 2HD1 LEU 46 2HD1 LEU 46 6.872 0.367 -2.060 372 3HD1 LEU 46 3HD1 LEU 46 7.542 -0.488 -3.455 373 1HD2 LEU 46 1HD2 LEU 46 10.047 0.900 -0.254 374 2HD2 LEU 46 2HD2 LEU 46 8.312 1.257 -0.289 375 3HD2 LEU 46 3HD2 LEU 46 8.870 -0.394 0.066 376 H ASP 47 H ASP 47 12.262 0.339 -4.129 377 HA ASP 47 HA ASP 47 11.122 2.671 -5.173 378 1HB ASP 47 1HB ASP 47 13.935 1.551 -5.564 379 2HB ASP 47 2HB ASP 47 13.444 3.228 -5.819 380 H GLU 48 H GLU 48 12.807 0.090 -6.974 381 HA GLU 48 HA GLU 48 12.246 1.100 -9.582 382 1HB GLU 48 1HB GLU 48 12.639 -1.718 -8.541 383 2HB GLU 48 2HB GLU 48 12.444 -1.357 -10.266 384 1HG GLU 48 1HG GLU 48 14.436 -0.053 -10.362 385 2HG GLU 48 2HG GLU 48 14.603 0.004 -8.607 386 H LEU 49 H LEU 49 10.364 -1.081 -7.505 387 HA LEU 49 HA LEU 49 8.286 -1.594 -9.352 388 1HB LEU 49 1HB LEU 49 8.894 -2.556 -6.900 389 2HB LEU 49 2HB LEU 49 7.665 -1.403 -6.404 390 HG LEU 49 HG LEU 49 6.683 -3.551 -6.641 391 1HD1 LEU 49 3HD1 LEU 49 5.309 -1.673 -7.492 392 2HD1 LEU 49 1HD1 LEU 49 5.867 -2.032 -9.148 393 3HD1 LEU 49 2HD1 LEU 49 4.915 -3.224 -8.256 394 1HD2 LEU 49 1HD2 LEU 49 8.397 -4.589 -8.088 395 2HD2 LEU 49 2HD2 LEU 49 6.746 -4.937 -8.626 396 3HD2 LEU 49 3HD2 LEU 49 7.722 -3.747 -9.499 397 H PHE 50 H PHE 50 8.576 0.869 -6.831 398 HA PHE 50 HA PHE 50 6.144 2.246 -7.156 399 1HB PHE 50 1HB PHE 50 7.723 2.537 -5.293 400 2HB PHE 50 2HB PHE 50 8.898 3.279 -6.361 401 HD1 PHE 50 HD1 PHE 50 5.639 3.718 -4.712 402 HD2 PHE 50 HD2 PHE 50 8.690 5.620 -7.078 403 HE1 PHE 50 HE1 PHE 50 4.908 5.918 -3.872 404 HE2 PHE 50 HE2 PHE 50 7.991 7.831 -6.187 405 HZ PHE 50 HZ PHE 50 6.230 7.953 -4.444 406 H GLU 51 H GLU 51 9.334 2.841 -8.705 407 HA GLU 51 HA GLU 51 8.535 4.984 -10.379 408 1HB GLU 51 1HB GLU 51 10.649 2.828 -10.745 409 2HB GLU 51 2HB GLU 51 10.508 4.248 -11.783 410 1HG GLU 51 1HG GLU 51 11.100 5.749 -10.052 411 2HG GLU 51 2HG GLU 51 10.765 4.587 -8.769 412 H GLU 52 H GLU 52 8.552 1.485 -11.005 413 HA GLU 52 HA GLU 52 7.490 1.594 -13.627 414 1HB GLU 52 1HB GLU 52 8.481 -0.436 -12.894 415 2HB GLU 52 2HB GLU 52 7.438 -0.545 -11.482 416 1HG GLU 52 1HG GLU 52 6.810 -2.201 -13.134 417 2HG GLU 52 2HG GLU 52 5.491 -1.070 -12.842 418 H LEU 53 H LEU 53 5.766 1.439 -10.506 419 HA LEU 53 HA LEU 53 3.149 1.372 -11.694 420 1HB LEU 53 1HB LEU 53 4.039 2.381 -8.955 421 2HB LEU 53 2HB LEU 53 2.393 2.082 -9.506 422 HG LEU 53 HG LEU 53 4.525 0.014 -8.990 423 1HD1 LEU 53 3HD1 LEU 53 3.338 0.948 -7.033 424 2HD1 LEU 53 1HD1 LEU 53 1.786 0.481 -7.760 425 3HD1 LEU 53 2HD1 LEU 53 2.960 -0.762 -7.283 426 1HD2 LEU 53 3HD2 LEU 53 1.782 -0.389 -10.214 427 2HD2 LEU 53 1HD2 LEU 53 3.356 -0.730 -10.981 428 3HD2 LEU 53 2HD2 LEU 53 2.840 -1.688 -9.600 429 H ASP 54 H ASP 54 5.161 4.031 -10.525 430 HA ASP 54 HA ASP 54 3.144 6.045 -10.896 431 1HB ASP 54 1HB ASP 54 4.898 6.196 -9.188 432 2HB ASP 54 2HB ASP 54 6.125 6.284 -10.444 433 H LYS 55 H LYS 55 2.902 5.022 -13.240 434 HA LYS 55 HA LYS 55 4.624 5.624 -15.357 435 1HB LYS 55 1HB LYS 55 1.598 5.443 -15.307 436 2HB LYS 55 2HB LYS 55 2.571 5.492 -16.781 437 1HG LYS 55 1HG LYS 55 2.728 3.314 -14.639 438 2HG LYS 55 2HG LYS 55 1.929 3.230 -16.212 439 1HD LYS 55 1HD LYS 55 4.223 3.732 -17.270 440 2HD LYS 55 2HD LYS 55 4.905 3.420 -15.655 441 1HE LYS 55 1HE LYS 55 3.804 1.169 -15.664 442 2HE LYS 55 2HE LYS 55 3.254 1.467 -17.321 443 1HZ LYS 55 1HZ LYS 55 6.045 1.398 -16.414 444 2HZ LYS 55 2HZ LYS 55 5.272 0.208 -17.239 445 3HZ LYS 55 3HZ LYS 55 5.552 1.665 -17.967 446 H ASN 56 H ASN 56 2.208 7.716 -13.836 447 HA ASN 56 HA ASN 56 2.479 9.783 -15.883 448 1HB ASN 56 1HB ASN 56 0.937 11.068 -14.688 449 2HB ASN 56 2HB ASN 56 0.369 9.395 -14.600 450 1HD2 ASN 56 1HD2 ASN 56 -0.091 10.603 -11.177 451 2HD2 ASN 56 2HD2 ASN 56 -0.931 10.633 -12.737 452 H GLY 57 H GLY 57 4.485 8.825 -13.287 453 1HA GLY 57 1HA GLY 57 6.337 9.724 -12.381 454 2HA GLY 57 2HA GLY 57 6.374 10.851 -13.743 455 H ASP 58 H ASP 58 3.646 10.752 -11.365 456 HA ASP 58 HA ASP 58 4.127 13.536 -10.798 457 1HB ASP 58 1HB ASP 58 2.131 13.534 -9.659 458 2HB ASP 58 2HB ASP 58 1.873 12.533 -11.072 459 H GLY 59 H GLY 59 5.395 10.657 -9.420 460 1HA GLY 59 1HA GLY 59 7.232 10.828 -7.946 461 2HA GLY 59 2HA GLY 59 6.533 12.246 -7.161 462 H GLU 60 H GLU 60 3.907 10.305 -7.536 463 HA GLU 60 HA GLU 60 4.289 8.309 -5.435 464 1HB GLU 60 1HB GLU 60 2.272 10.585 -5.293 465 2HB GLU 60 2HB GLU 60 2.259 9.144 -4.258 466 1HG GLU 60 1HG GLU 60 4.605 9.802 -3.500 467 2HG GLU 60 2HG GLU 60 4.346 11.354 -4.314 468 H VAL 61 H VAL 61 2.082 7.070 -5.348 469 HA VAL 61 HA VAL 61 1.512 6.546 -8.246 470 HB VAL 61 HB VAL 61 1.155 4.595 -5.971 471 1HG1 VAL 61 3HG1 VAL 61 0.098 4.215 -8.274 472 2HG1 VAL 61 1HG1 VAL 61 1.758 4.229 -8.927 473 3HG1 VAL 61 2HG1 VAL 61 1.257 2.981 -7.756 474 1HG2 VAL 61 3HG2 VAL 61 3.644 5.215 -7.618 475 2HG2 VAL 61 1HG2 VAL 61 3.486 5.189 -5.850 476 3HG2 VAL 61 2HG2 VAL 61 3.405 3.681 -6.775 477 H SER 62 H SER 62 -0.399 7.393 -8.895 478 HA SER 62 HA SER 62 -2.620 7.751 -7.050 479 1HB SER 62 1HB SER 62 -3.811 8.614 -9.017 480 2HB SER 62 2HB SER 62 -2.249 9.404 -8.761 481 HG SER 62 HG SER 62 -1.388 8.270 -10.445 482 H PHE 63 H PHE 63 -4.742 6.742 -7.298 483 HA PHE 63 HA PHE 63 -4.660 3.985 -7.444 484 1HB PHE 63 1HB PHE 63 -6.511 5.217 -6.404 485 2HB PHE 63 2HB PHE 63 -7.103 5.703 -7.996 486 HD1 PHE 63 HD1 PHE 63 -6.217 2.639 -6.016 487 HD2 PHE 63 HD2 PHE 63 -8.674 4.269 -9.149 488 HE1 PHE 63 HE1 PHE 63 -7.403 0.482 -6.196 489 HE2 PHE 63 HE2 PHE 63 -9.805 2.081 -9.388 490 HZ PHE 63 HZ PHE 63 -9.205 0.187 -7.861 491 H GLU 64 H GLU 64 -5.176 6.139 -10.207 492 HA GLU 64 HA GLU 64 -6.114 4.069 -11.962 493 1HB GLU 64 1HB GLU 64 -4.638 6.665 -12.648 494 2HB GLU 64 2HB GLU 64 -5.614 5.677 -13.751 495 1HG GLU 64 1HG GLU 64 -6.587 7.299 -11.351 496 2HG GLU 64 2HG GLU 64 -6.909 7.601 -13.058 497 H GLU 65 H GLU 65 -2.833 5.604 -11.696 498 HA GLU 65 HA GLU 65 -1.720 3.646 -13.479 499 1HB GLU 65 1HB GLU 65 0.392 4.652 -13.043 500 2HB GLU 65 2HB GLU 65 -0.847 5.893 -13.231 501 1HG GLU 65 1HG GLU 65 -0.995 5.849 -10.623 502 2HG GLU 65 2HG GLU 65 0.549 4.994 -10.695 503 H PHE 66 H PHE 66 -2.179 3.691 -9.967 504 HA PHE 66 HA PHE 66 -0.647 1.456 -9.174 505 1HB PHE 66 1HB PHE 66 -1.768 2.723 -7.543 506 2HB PHE 66 2HB PHE 66 -3.276 2.615 -8.428 507 HD1 PHE 66 HD1 PHE 66 -1.009 0.577 -6.260 508 HD2 PHE 66 HD2 PHE 66 -4.881 1.020 -8.053 509 HE1 PHE 66 HE1 PHE 66 -1.940 -1.137 -4.707 510 HE2 PHE 66 HE2 PHE 66 -5.721 -0.946 -6.806 511 HZ PHE 66 HZ PHE 66 -4.305 -1.871 -4.934 512 H GLN 67 H GLN 67 -3.549 1.511 -11.285 513 HA GLN 67 HA GLN 67 -4.164 -1.234 -11.040 514 1HB GLN 67 1HB GLN 67 -4.350 0.428 -13.577 515 2HB GLN 67 2HB GLN 67 -5.076 -1.154 -13.301 516 1HG GLN 67 1HG GLN 67 -5.891 1.475 -12.045 517 2HG GLN 67 2HG GLN 67 -6.841 0.352 -13.001 518 1HE2 GLN 67 1HE2 GLN 67 -6.705 0.053 -8.964 519 2HE2 GLN 67 2HE2 GLN 67 -6.065 1.408 -9.873 520 H VAL 68 H VAL 68 -1.315 0.197 -12.506 521 HA VAL 68 HA VAL 68 -0.453 -2.046 -14.046 522 HB VAL 68 HB VAL 68 1.117 0.066 -12.520 523 1HG1 VAL 68 1HG1 VAL 68 2.085 -1.893 -14.644 524 2HG1 VAL 68 2HG1 VAL 68 3.009 -0.524 -13.994 525 3HG1 VAL 68 3HG1 VAL 68 2.588 -1.873 -12.940 526 1HG2 VAL 68 1HG2 VAL 68 -0.359 0.921 -14.386 527 2HG2 VAL 68 2HG2 VAL 68 1.364 1.112 -14.726 528 3HG2 VAL 68 3HG2 VAL 68 0.449 -0.202 -15.491 529 H LEU 69 H LEU 69 -0.485 -1.474 -10.520 530 HA LEU 69 HA LEU 69 1.144 -3.830 -9.940 531 1HB LEU 69 1HB LEU 69 0.919 -1.835 -8.358 532 2HB LEU 69 2HB LEU 69 -0.765 -2.284 -8.132 533 HG LEU 69 HG LEU 69 0.036 -4.562 -7.311 534 1HD1 LEU 69 1HD1 LEU 69 2.715 -3.119 -7.181 535 2HD1 LEU 69 2HD1 LEU 69 2.339 -4.686 -6.443 536 3HD1 LEU 69 3HD1 LEU 69 2.355 -4.528 -8.203 537 1HD2 LEU 69 3HD2 LEU 69 0.820 -2.063 -5.767 538 2HD2 LEU 69 1HD2 LEU 69 -0.770 -2.861 -5.795 539 3HD2 LEU 69 2HD2 LEU 69 0.616 -3.686 -5.069 540 H VAL 70 H VAL 70 -2.318 -2.883 -9.888 541 HA VAL 70 HA VAL 70 -3.380 -5.307 -8.977 542 HB VAL 70 HB VAL 70 -4.632 -3.379 -10.980 543 1HG1 VAL 70 1HG1 VAL 70 -5.831 -5.638 -9.361 544 2HG1 VAL 70 2HG1 VAL 70 -6.790 -4.293 -10.022 545 3HG1 VAL 70 3HG1 VAL 70 -5.904 -5.366 -11.107 546 1HG2 VAL 70 3HG2 VAL 70 -4.651 -3.507 -7.928 547 2HG2 VAL 70 1HG2 VAL 70 -4.029 -2.198 -8.928 548 3HG2 VAL 70 2HG2 VAL 70 -5.766 -2.509 -8.881 549 H LYS 71 H LYS 71 -2.431 -4.425 -12.304 550 HA LYS 71 HA LYS 71 -3.203 -6.789 -13.616 551 1HB LYS 71 1HB LYS 71 -2.385 -4.928 -14.843 552 2HB LYS 71 2HB LYS 71 -0.832 -4.929 -13.999 553 1HG LYS 71 1HG LYS 71 -0.200 -7.055 -14.977 554 2HG LYS 71 2HG LYS 71 -1.754 -7.192 -15.813 555 1HD LYS 71 1HD LYS 71 0.411 -5.065 -16.237 556 2HD LYS 71 2HD LYS 71 0.069 -6.426 -17.308 557 1HE LYS 71 1HE LYS 71 -1.729 -4.014 -16.785 558 2HE LYS 71 2HE LYS 71 -0.869 -4.419 -18.271 559 1HZ LYS 71 3HZ LYS 71 -2.224 -6.384 -18.454 560 2HZ LYS 71 1HZ LYS 71 -3.048 -5.984 -17.083 561 3HZ LYS 71 2HZ LYS 71 -3.151 -5.022 -18.415 562 H LYS 72 H LYS 72 -0.076 -6.176 -12.029 563 HA LYS 72 HA LYS 72 0.925 -8.830 -12.314 564 1HB LYS 72 1HB LYS 72 1.607 -6.625 -10.330 565 2HB LYS 72 2HB LYS 72 2.281 -8.247 -10.201 566 1HG LYS 72 1HG LYS 72 3.899 -7.060 -11.355 567 2HG LYS 72 2HG LYS 72 3.117 -8.072 -12.574 568 1HD LYS 72 1HD LYS 72 1.785 -6.074 -13.315 569 2HD LYS 72 2HD LYS 72 2.584 -5.112 -12.052 570 1HE LYS 72 1HE LYS 72 4.788 -5.556 -13.121 571 2HE LYS 72 2HE LYS 72 3.975 -6.489 -14.394 572 1HZ LYS 72 3HZ LYS 72 2.784 -4.503 -14.988 573 2HZ LYS 72 1HZ LYS 72 3.545 -3.644 -13.808 574 3HZ LYS 72 2HZ LYS 72 4.411 -4.249 -15.071 575 H ILE 73 H ILE 73 -1.008 -7.387 -9.712 576 HA ILE 73 HA ILE 73 -1.059 -9.697 -8.016 577 HB ILE 73 HB ILE 73 -3.197 -7.556 -8.348 578 1HG1 ILE 73 1HG1 ILE 73 -0.891 -7.866 -6.363 579 2HG1 ILE 73 2HG1 ILE 73 -0.999 -6.673 -7.660 580 1HG2 ILE 73 3HG2 ILE 73 -4.110 -9.618 -7.289 581 2HG2 ILE 73 1HG2 ILE 73 -2.802 -9.560 -6.087 582 3HG2 ILE 73 2HG2 ILE 73 -4.036 -8.283 -6.158 583 1HD1 ILE 73 3HD1 ILE 73 -3.046 -5.716 -6.569 584 2HD1 ILE 73 1HD1 ILE 73 -2.719 -6.777 -5.174 585 3HD1 ILE 73 2HD1 ILE 73 -1.543 -5.551 -5.640 586 H SER 74 H SER 74 -3.171 -8.699 -10.670 587 HA SER 74 HA SER 74 -4.709 -11.197 -10.715 588 1HB SER 74 1HB SER 74 -4.544 -8.991 -12.811 589 2HB SER 74 2HB SER 74 -5.836 -10.183 -12.587 590 HG SER 74 HG SER 74 -5.090 -8.036 -10.872 591 H GLN 75 H GLN 75 -2.096 -11.931 -10.741 592 HA GLN 75 HA GLN 75 -0.329 -12.783 -11.837 593 1HB GLN 75 1HB GLN 75 -2.086 -14.413 -12.489 594 2HB GLN 75 2HB GLN 75 -2.345 -13.556 -14.009 595 1HG GLN 75 1HG GLN 75 0.484 -14.406 -13.375 596 2HG GLN 75 2HG GLN 75 -0.693 -15.679 -13.684 597 1HE2 GLN 75 1HE2 GLN 75 0.450 -13.297 -16.823 598 2HE2 GLN 75 2HE2 GLN 75 0.771 -12.750 -15.181 No H/Q in entry = 598 Start of MODEL 21 Raw file had 599 H/Q atoms Start of MODEL 21 1 1H LYS 1 2H LYS 1 -6.801 -10.131 -4.171 2 2H LYS 1 3H LYS 1 -7.321 -10.382 -2.591 3 3H LYS 1 1H LYS 1 -8.196 -11.023 -3.876 4 HA LYS 1 HA LYS 1 -9.300 -9.121 -2.998 5 1HB LYS 1 1HB LYS 1 -6.631 -7.807 -3.697 6 2HB LYS 1 2HB LYS 1 -8.124 -6.913 -3.459 7 1HG LYS 1 1HG LYS 1 -6.837 -6.757 -1.469 8 2HG LYS 1 2HG LYS 1 -8.277 -7.722 -1.112 9 1HD LYS 1 1HD LYS 1 -7.058 -9.710 -0.894 10 2HD LYS 1 2HD LYS 1 -5.742 -9.135 -1.916 11 1HE LYS 1 1HE LYS 1 -5.015 -9.265 0.440 12 2HE LYS 1 2HE LYS 1 -4.931 -7.620 -0.191 13 1HZ LYS 1 3HZ LYS 1 -7.033 -7.177 0.892 14 2HZ LYS 1 1HZ LYS 1 -7.050 -8.698 1.530 15 3HZ LYS 1 2HZ LYS 1 -5.869 -7.628 1.965 16 H SER 2 H SER 2 -10.699 -8.199 -4.518 17 HA SER 2 HA SER 2 -9.984 -8.437 -7.393 18 1HB SER 2 1HB SER 2 -12.285 -8.254 -7.854 19 2HB SER 2 2HB SER 2 -12.245 -9.227 -6.394 20 HG SER 2 HG SER 2 -12.896 -7.498 -5.217 21 HA PRO 3 HA PRO 3 -9.153 -4.112 -8.040 22 1HB PRO 3 1HB PRO 3 -11.831 -3.840 -9.413 23 2HB PRO 3 2HB PRO 3 -10.254 -3.140 -9.888 24 1HG PRO 3 1HG PRO 3 -11.090 -5.402 -11.099 25 2HG PRO 3 2HG PRO 3 -9.410 -5.328 -10.491 26 1HD PRO 3 1HD PRO 3 -11.818 -6.576 -9.181 27 2HD PRO 3 2HD PRO 3 -10.177 -7.271 -9.380 28 H GLU 4 H GLU 4 -12.504 -4.788 -6.948 29 HA GLU 4 HA GLU 4 -12.994 -2.232 -5.794 30 1HB GLU 4 1HB GLU 4 -14.741 -3.905 -6.390 31 2HB GLU 4 2HB GLU 4 -14.176 -4.958 -5.083 32 1HG GLU 4 1HG GLU 4 -14.767 -3.211 -3.419 33 2HG GLU 4 2HG GLU 4 -15.282 -2.134 -4.729 34 H GLU 5 H GLU 5 -11.468 -5.169 -4.507 35 HA GLU 5 HA GLU 5 -11.435 -4.058 -1.767 36 1HB GLU 5 1HB GLU 5 -10.170 -6.554 -2.935 37 2HB GLU 5 2HB GLU 5 -9.920 -5.973 -1.278 38 1HG GLU 5 1HG GLU 5 -11.616 -7.606 -1.109 39 2HG GLU 5 2HG GLU 5 -12.451 -6.055 -0.963 40 H LEU 6 H LEU 6 -9.275 -4.493 -4.553 41 HA LEU 6 HA LEU 6 -6.963 -3.342 -3.394 42 1HB LEU 6 1HB LEU 6 -7.961 -3.552 -6.240 43 2HB LEU 6 2HB LEU 6 -6.484 -2.730 -5.852 44 HG LEU 6 HG LEU 6 -6.924 -5.413 -4.566 45 1HD1 LEU 6 3HD1 LEU 6 -7.516 -5.869 -6.942 46 2HD1 LEU 6 1HD1 LEU 6 -5.877 -5.357 -7.392 47 3HD1 LEU 6 2HD1 LEU 6 -6.105 -6.744 -6.320 48 1HD2 LEU 6 3HD2 LEU 6 -4.467 -4.057 -5.786 49 2HD2 LEU 6 1HD2 LEU 6 -4.870 -4.099 -4.055 50 3HD2 LEU 6 2HD2 LEU 6 -4.455 -5.592 -4.919 51 H LYS 7 H LYS 7 -9.757 -1.713 -4.951 52 HA LYS 7 HA LYS 7 -8.759 0.926 -4.542 53 1HB LYS 7 1HB LYS 7 -10.749 0.360 -5.938 54 2HB LYS 7 2HB LYS 7 -11.648 -0.069 -4.501 55 1HG LYS 7 1HG LYS 7 -12.286 2.121 -5.301 56 2HG LYS 7 2HG LYS 7 -11.618 2.215 -3.671 57 1HD LYS 7 1HD LYS 7 -9.471 3.058 -4.551 58 2HD LYS 7 2HD LYS 7 -10.048 2.861 -6.214 59 1HE LYS 7 1HE LYS 7 -11.292 4.728 -4.144 60 2HE LYS 7 2HE LYS 7 -10.123 5.209 -5.384 61 1HZ LYS 7 3HZ LYS 7 -11.679 4.489 -7.048 62 2HZ LYS 7 1HZ LYS 7 -12.784 4.085 -5.892 63 3HZ LYS 7 2HZ LYS 7 -12.331 5.656 -6.083 64 H GLY 8 H GLY 8 -10.902 -1.015 -2.491 65 1HA GLY 8 1HA GLY 8 -11.194 0.738 -0.308 66 2HA GLY 8 2HA GLY 8 -11.133 -1.029 -0.154 67 H ILE 9 H ILE 9 -8.647 -1.642 -0.854 68 HA ILE 9 HA ILE 9 -6.958 -1.203 1.378 69 HB ILE 9 HB ILE 9 -6.559 -2.288 -1.404 70 1HG1 ILE 9 1HG1 ILE 9 -8.095 -3.339 0.483 71 2HG1 ILE 9 2HG1 ILE 9 -7.091 -4.348 -0.567 72 1HG2 ILE 9 1HG2 ILE 9 -4.563 -2.284 0.861 73 2HG2 ILE 9 2HG2 ILE 9 -4.479 -3.361 -0.553 74 3HG2 ILE 9 3HG2 ILE 9 -4.375 -1.612 -0.765 75 1HD1 ILE 9 1HD1 ILE 9 -6.245 -3.435 2.213 76 2HD1 ILE 9 2HD1 ILE 9 -7.089 -4.957 1.868 77 3HD1 ILE 9 3HD1 ILE 9 -5.494 -4.676 1.166 78 H PHE 10 H PHE 10 -6.763 0.054 -2.016 79 HA PHE 10 HA PHE 10 -4.528 1.683 -1.775 80 1HB PHE 10 1HB PHE 10 -5.784 1.213 -3.884 81 2HB PHE 10 2HB PHE 10 -7.096 2.205 -3.328 82 HD1 PHE 10 HD1 PHE 10 -6.887 4.677 -3.106 83 HD2 PHE 10 HD2 PHE 10 -3.737 2.222 -4.746 84 HE1 PHE 10 HE1 PHE 10 -5.857 6.670 -4.113 85 HE2 PHE 10 HE2 PHE 10 -2.676 4.257 -5.717 86 HZ PHE 10 HZ PHE 10 -3.753 6.458 -5.423 87 H GLU 11 H GLU 11 -7.950 2.493 -1.077 88 HA GLU 11 HA GLU 11 -7.469 5.179 -0.205 89 1HB GLU 11 1HB GLU 11 -9.727 3.230 0.410 90 2HB GLU 11 2HB GLU 11 -9.725 4.937 0.877 91 1HG GLU 11 1HG GLU 11 -9.589 5.649 -1.452 92 2HG GLU 11 2HG GLU 11 -9.445 3.979 -2.010 93 H LYS 12 H LYS 12 -7.913 2.140 1.669 94 HA LYS 12 HA LYS 12 -7.620 3.037 4.259 95 1HB LYS 12 1HB LYS 12 -8.133 0.772 3.911 96 2HB LYS 12 2HB LYS 12 -6.721 0.486 2.892 97 1HG LYS 12 1HG LYS 12 -5.192 0.548 4.678 98 2HG LYS 12 2HG LYS 12 -6.435 1.155 5.816 99 1HD LYS 12 1HD LYS 12 -7.691 -1.007 5.502 100 2HD LYS 12 2HD LYS 12 -6.422 -1.557 4.398 101 1HE LYS 12 1HE LYS 12 -6.029 -2.548 6.573 102 2HE LYS 12 2HE LYS 12 -4.750 -1.363 6.268 103 1HZ LYS 12 1HZ LYS 12 -7.141 -0.905 7.911 104 2HZ LYS 12 2HZ LYS 12 -5.624 -1.208 8.477 105 3HZ LYS 12 3HZ LYS 12 -5.929 0.182 7.648 106 H TYR 13 H TYR 13 -4.907 2.151 2.064 107 HA TYR 13 HA TYR 13 -2.953 2.978 4.097 108 1HB TYR 13 1HB TYR 13 -2.685 1.967 1.288 109 2HB TYR 13 2HB TYR 13 -1.316 2.473 2.279 110 HD1 TYR 13 HD1 TYR 13 -0.928 1.421 4.514 111 HD2 TYR 13 HD2 TYR 13 -3.923 -0.123 1.900 112 HE1 TYR 13 HE1 TYR 13 -0.956 -0.744 5.793 113 HE2 TYR 13 HE2 TYR 13 -4.055 -2.186 3.171 114 HH TYR 13 HH TYR 13 -3.270 -3.349 5.059 115 H ALA 14 H ALA 14 -4.072 4.318 0.997 116 HA ALA 14 HA ALA 14 -2.350 6.560 0.840 117 1HB ALA 14 3HB ALA 14 -3.748 5.666 -1.005 118 2HB ALA 14 1HB ALA 14 -5.198 6.275 -0.181 119 3HB ALA 14 2HB ALA 14 -3.959 7.387 -0.787 120 H ALA 15 H ALA 15 -5.340 6.119 2.648 121 HA ALA 15 HA ALA 15 -5.740 8.832 3.396 122 1HB ALA 15 3HB ALA 15 -7.470 7.117 3.629 123 2HB ALA 15 1HB ALA 15 -6.493 6.263 4.847 124 3HB ALA 15 2HB ALA 15 -7.140 7.879 5.197 125 H LYS 16 H LYS 16 -3.363 6.451 4.593 126 HA LYS 16 HA LYS 16 -3.287 7.409 7.275 127 1HB LYS 16 1HB LYS 16 -1.168 5.908 5.683 128 2HB LYS 16 2HB LYS 16 -1.142 6.191 7.432 129 1HG LYS 16 1HG LYS 16 -3.345 5.029 7.646 130 2HG LYS 16 2HG LYS 16 -3.294 4.658 5.917 131 1HD LYS 16 1HD LYS 16 -1.167 3.410 6.246 132 2HD LYS 16 2HD LYS 16 -1.226 3.782 7.982 133 1HE LYS 16 1HE LYS 16 -3.437 2.598 8.131 134 2HE LYS 16 2HE LYS 16 -3.296 2.163 6.419 135 1HZ LYS 16 3HZ LYS 16 -1.267 1.000 6.977 136 2HZ LYS 16 1HZ LYS 16 -1.457 1.373 8.570 137 3HZ LYS 16 2HZ LYS 16 -2.553 0.401 7.814 138 H GLU 17 H GLU 17 -1.121 8.180 4.497 139 HA GLU 17 HA GLU 17 0.339 10.181 6.036 140 1HB GLU 17 1HB GLU 17 1.175 8.842 4.045 141 2HB GLU 17 2HB GLU 17 0.189 9.912 3.016 142 1HG GLU 17 1HG GLU 17 1.496 11.850 3.756 143 2HG GLU 17 2HG GLU 17 2.372 10.854 4.932 144 H GLY 18 H GLY 18 -2.633 10.033 4.265 145 1HA GLY 18 1HA GLY 18 -4.367 11.590 4.601 146 2HA GLY 18 2HA GLY 18 -3.203 12.890 4.868 147 H ASP 19 H ASP 19 -3.001 10.532 2.172 148 HA ASP 19 HA ASP 19 -3.922 12.618 0.243 149 1HB ASP 19 1HB ASP 19 -1.446 12.443 0.364 150 2HB ASP 19 2HB ASP 19 -1.553 10.743 -0.088 151 HA PRO 20 HA PRO 20 -6.082 8.420 0.426 152 1HB PRO 20 1HB PRO 20 -8.601 9.371 -0.335 153 2HB PRO 20 2HB PRO 20 -8.005 9.157 1.336 154 1HG PRO 20 1HG PRO 20 -8.000 11.672 -0.346 155 2HG PRO 20 2HG PRO 20 -8.489 11.494 1.367 156 1HD PRO 20 1HD PRO 20 -6.066 12.447 0.755 157 2HD PRO 20 2HD PRO 20 -6.204 11.233 2.058 158 H ASN 21 H ASN 21 -5.953 10.896 -2.083 159 HA ASN 21 HA ASN 21 -6.968 9.229 -4.225 160 1HB ASN 21 1HB ASN 21 -5.489 11.894 -4.221 161 2HB ASN 21 2HB ASN 21 -6.290 11.151 -5.606 162 1HD2 ASN 21 1HD2 ASN 21 -8.461 13.367 -3.047 163 2HD2 ASN 21 2HD2 ASN 21 -6.709 13.300 -2.989 164 H GLN 22 H GLN 22 -3.787 9.590 -2.712 165 HA GLN 22 HA GLN 22 -2.504 8.140 -4.922 166 1HB GLN 22 1HB GLN 22 -2.448 10.251 -5.881 167 2HB GLN 22 2HB GLN 22 -2.064 11.069 -4.363 168 1HG GLN 22 1HG GLN 22 0.136 10.345 -4.351 169 2HG GLN 22 2HG GLN 22 -0.169 9.012 -5.481 170 1HE2 GLN 22 1HE2 GLN 22 0.894 12.638 -6.968 171 2HE2 GLN 22 2HE2 GLN 22 0.632 12.421 -5.238 172 H LEU 23 H LEU 23 -1.063 6.726 -4.179 173 HA LEU 23 HA LEU 23 -0.412 6.690 -1.352 174 1HB LEU 23 1HB LEU 23 0.381 4.901 -3.664 175 2HB LEU 23 2HB LEU 23 0.801 4.635 -1.994 176 HG LEU 23 HG LEU 23 -2.117 4.873 -2.781 177 1HD1 LEU 23 1HD1 LEU 23 -0.380 2.377 -2.755 178 2HD1 LEU 23 2HD1 LEU 23 -2.136 2.400 -2.951 179 3HD1 LEU 23 3HD1 LEU 23 -1.091 3.117 -4.203 180 1HD2 LEU 23 1HD2 LEU 23 -1.430 4.913 -0.346 181 2HD2 LEU 23 2HD2 LEU 23 -2.436 3.515 -0.765 182 3HD2 LEU 23 3HD2 LEU 23 -0.686 3.319 -0.565 183 H SER 24 H SER 24 1.566 7.125 -0.423 184 HA SER 24 HA SER 24 3.855 8.050 -2.032 185 1HB SER 24 1HB SER 24 4.835 8.524 0.146 186 2HB SER 24 2HB SER 24 3.171 9.122 0.127 187 HG SER 24 HG SER 24 3.575 7.969 2.018 188 H LYS 25 H LYS 25 6.062 6.999 -1.312 189 HA LYS 25 HA LYS 25 6.138 4.227 -1.915 190 1HB LYS 25 1HB LYS 25 8.085 6.050 -0.391 191 2HB LYS 25 2HB LYS 25 8.417 4.345 -0.720 192 1HG LYS 25 1HG LYS 25 8.186 4.755 -3.150 193 2HG LYS 25 2HG LYS 25 8.015 6.493 -2.815 194 1HD LYS 25 1HD LYS 25 10.256 6.500 -1.751 195 2HD LYS 25 2HD LYS 25 10.412 4.756 -2.055 196 1HE LYS 25 1HE LYS 25 10.227 5.161 -4.506 197 2HE LYS 25 2HE LYS 25 10.082 6.902 -4.202 198 1HZ LYS 25 3HZ LYS 25 12.268 6.831 -3.218 199 2HZ LYS 25 1HZ LYS 25 12.410 5.222 -3.560 200 3HZ LYS 25 2HZ LYS 25 12.290 6.315 -4.782 201 H GLU 26 H GLU 26 5.964 5.919 1.207 202 HA GLU 26 HA GLU 26 6.463 3.574 2.783 203 1HB GLU 26 1HB GLU 26 5.004 6.206 3.485 204 2HB GLU 26 2HB GLU 26 5.557 4.987 4.636 205 1HG GLU 26 1HG GLU 26 7.163 6.670 4.662 206 2HG GLU 26 2HG GLU 26 7.887 5.305 3.794 207 H GLU 27 H GLU 27 3.546 5.335 1.950 208 HA GLU 27 HA GLU 27 1.665 3.533 3.108 209 1HB GLU 27 1HB GLU 27 1.422 5.249 0.620 210 2HB GLU 27 2HB GLU 27 0.069 4.408 1.409 211 1HG GLU 27 1HG GLU 27 0.386 5.595 3.484 212 2HG GLU 27 2HG GLU 27 1.844 6.399 2.896 213 H LEU 28 H LEU 28 3.072 3.457 -0.287 214 HA LEU 28 HA LEU 28 1.944 0.931 -0.876 215 1HB LEU 28 1HB LEU 28 4.386 2.414 -1.864 216 2HB LEU 28 2HB LEU 28 4.100 0.750 -2.406 217 HG LEU 28 HG LEU 28 1.886 2.738 -2.387 218 1HD1 LEU 28 3HD1 LEU 28 3.619 3.868 -3.635 219 2HD1 LEU 28 1HD1 LEU 28 3.876 2.415 -4.653 220 3HD1 LEU 28 2HD1 LEU 28 2.347 3.319 -4.739 221 1HD2 LEU 28 3HD2 LEU 28 2.519 0.318 -4.177 222 2HD2 LEU 28 1HD2 LEU 28 1.303 0.337 -2.891 223 3HD2 LEU 28 2HD2 LEU 28 1.071 1.320 -4.342 224 H LYS 29 H LYS 29 4.923 1.616 0.924 225 HA LYS 29 HA LYS 29 5.788 -1.110 0.839 226 1HB LYS 29 1HB LYS 29 7.077 0.983 1.547 227 2HB LYS 29 2HB LYS 29 6.190 0.982 3.043 228 1HG LYS 29 1HG LYS 29 7.162 -1.286 3.609 229 2HG LYS 29 2HG LYS 29 7.985 -1.266 2.045 230 1HD LYS 29 1HD LYS 29 9.695 -0.561 3.395 231 2HD LYS 29 2HD LYS 29 9.041 1.000 2.890 232 1HE LYS 29 1HE LYS 29 8.404 -0.427 5.528 233 2HE LYS 29 2HE LYS 29 9.614 0.845 5.323 234 1HZ LYS 29 3HZ LYS 29 7.855 2.315 4.616 235 2HZ LYS 29 1HZ LYS 29 6.733 1.144 4.912 236 3HZ LYS 29 2HZ LYS 29 7.624 1.755 6.150 237 H LEU 30 H LEU 30 3.945 0.688 3.270 238 HA LEU 30 HA LEU 30 3.436 -1.589 4.944 239 1HB LEU 30 1HB LEU 30 2.152 1.136 4.605 240 2HB LEU 30 2HB LEU 30 1.276 -0.083 5.518 241 HG LEU 30 HG LEU 30 2.582 1.442 6.932 242 1HD1 LEU 30 3HD1 LEU 30 1.925 -0.821 7.705 243 2HD1 LEU 30 1HD1 LEU 30 3.494 -1.457 7.171 244 3HD1 LEU 30 2HD1 LEU 30 3.422 -0.241 8.453 245 1HD2 LEU 30 1HD2 LEU 30 4.574 1.743 5.506 246 2HD2 LEU 30 2HD2 LEU 30 5.000 1.225 7.144 247 3HD2 LEU 30 3HD2 LEU 30 5.053 0.055 5.813 248 H LEU 31 H LEU 31 1.489 -0.206 2.332 249 HA LEU 31 HA LEU 31 -0.647 -2.021 2.336 250 1HB LEU 31 1HB LEU 31 -0.422 0.028 0.986 251 2HB LEU 31 2HB LEU 31 0.751 -0.757 -0.055 252 HG LEU 31 HG LEU 31 -2.059 -1.847 0.278 253 1HD1 LEU 31 1HD1 LEU 31 -1.043 0.296 -1.645 254 2HD1 LEU 31 2HD1 LEU 31 -2.599 -0.532 -1.819 255 3HD1 LEU 31 3HD1 LEU 31 -2.302 0.491 -0.408 256 1HD2 LEU 31 3HD2 LEU 31 0.018 -2.018 -1.973 257 2HD2 LEU 31 1HD2 LEU 31 -0.471 -3.342 -0.901 258 3HD2 LEU 31 2HD2 LEU 31 -1.625 -2.680 -2.055 259 H LEU 32 H LEU 32 2.421 -2.262 0.570 260 HA LEU 32 HA LEU 32 1.991 -4.832 -0.574 261 1HB LEU 32 1HB LEU 32 4.530 -3.338 0.182 262 2HB LEU 32 2HB LEU 32 4.570 -4.906 -0.618 263 HG LEU 32 HG LEU 32 3.024 -2.593 -1.838 264 1HD1 LEU 32 1HD1 LEU 32 5.963 -3.308 -2.265 265 2HD1 LEU 32 2HD1 LEU 32 5.033 -2.121 -3.205 266 3HD1 LEU 32 3HD1 LEU 32 5.359 -1.830 -1.491 267 1HD2 LEU 32 3HD2 LEU 32 4.337 -5.088 -2.990 268 2HD2 LEU 32 1HD2 LEU 32 2.591 -4.858 -2.746 269 3HD2 LEU 32 2HD2 LEU 32 3.460 -3.849 -3.913 270 H GLN 33 H GLN 33 3.864 -3.968 2.377 271 HA GLN 33 HA GLN 33 4.554 -6.596 3.045 272 1HB GLN 33 1HB GLN 33 5.603 -4.552 3.944 273 2HB GLN 33 2HB GLN 33 4.136 -4.180 4.863 274 1HG GLN 33 1HG GLN 33 4.419 -6.200 6.222 275 2HG GLN 33 2HG GLN 33 5.805 -6.707 5.245 276 1HE2 GLN 33 1HE2 GLN 33 8.012 -4.200 6.652 277 2HE2 GLN 33 2HE2 GLN 33 7.666 -5.019 5.137 278 H THR 34 H THR 34 1.759 -4.690 4.097 279 HA THR 34 HA THR 34 0.875 -6.745 5.928 280 HB THR 34 HB THR 34 -0.694 -4.352 4.912 281 HG1 THR 34 HG1 THR 34 1.194 -3.569 5.665 282 1HG2 THR 34 1HG2 THR 34 -0.771 -5.932 7.528 283 2HG2 THR 34 2HG2 THR 34 -1.708 -4.467 7.185 284 3HG2 THR 34 3HG2 THR 34 -2.024 -5.950 6.267 285 H GLU 35 H GLU 35 -0.228 -5.670 2.634 286 HA GLU 35 HA GLU 35 -2.439 -7.602 2.775 287 1HB GLU 35 1HB GLU 35 -1.784 -5.388 0.792 288 2HB GLU 35 2HB GLU 35 -3.266 -6.313 0.881 289 1HG GLU 35 1HG GLU 35 -2.168 -4.415 3.016 290 2HG GLU 35 2HG GLU 35 -3.441 -4.056 1.871 291 H PHE 36 H PHE 36 0.590 -7.081 1.029 292 HA PHE 36 HA PHE 36 0.121 -9.599 -0.484 293 1HB PHE 36 1HB PHE 36 1.081 -7.040 -1.789 294 2HB PHE 36 2HB PHE 36 0.776 -8.592 -2.553 295 HD1 PHE 36 HD1 PHE 36 -1.636 -9.442 -2.752 296 HD2 PHE 36 HD2 PHE 36 -0.671 -5.469 -1.421 297 HE1 PHE 36 HE1 PHE 36 -3.940 -8.680 -3.322 298 HE2 PHE 36 HE2 PHE 36 -3.011 -4.750 -1.863 299 HZ PHE 36 HZ PHE 36 -4.667 -6.392 -2.717 300 HA PRO 37 HA PRO 37 4.405 -9.148 1.364 301 1HB PRO 37 1HB PRO 37 4.434 -11.521 2.744 302 2HB PRO 37 2HB PRO 37 3.822 -9.984 3.415 303 1HG PRO 37 1HG PRO 37 2.208 -12.217 2.162 304 2HG PRO 37 2HG PRO 37 1.896 -11.362 3.703 305 1HD PRO 37 1HD PRO 37 0.621 -10.692 1.405 306 2HD PRO 37 2HD PRO 37 1.110 -9.424 2.555 307 H SER 38 H SER 38 2.469 -11.432 -0.442 308 HA SER 38 HA SER 38 4.325 -13.279 -1.514 309 1HB SER 38 1HB SER 38 2.483 -13.058 -3.390 310 2HB SER 38 2HB SER 38 2.006 -13.674 -1.795 311 HG SER 38 HG SER 38 0.603 -11.989 -2.512 312 H LEU 39 H LEU 39 3.017 -10.168 -2.661 313 HA LEU 39 HA LEU 39 4.885 -9.899 -4.851 314 1HB LEU 39 1HB LEU 39 3.005 -7.991 -3.442 315 2HB LEU 39 2HB LEU 39 4.048 -7.470 -4.777 316 HG LEU 39 HG LEU 39 1.876 -9.600 -4.940 317 1HD1 LEU 39 1HD1 LEU 39 2.133 -6.783 -6.094 318 2HD1 LEU 39 2HD1 LEU 39 0.795 -7.890 -6.420 319 3HD1 LEU 39 3HD1 LEU 39 1.041 -7.264 -4.775 320 1HD2 LEU 39 3HD2 LEU 39 3.787 -8.533 -7.070 321 2HD2 LEU 39 1HD2 LEU 39 3.586 -10.226 -6.558 322 3HD2 LEU 39 2HD2 LEU 39 2.292 -9.418 -7.434 323 H LEU 40 H LEU 40 4.810 -8.638 -1.535 324 HA LEU 40 HA LEU 40 6.984 -6.884 -1.728 325 1HB LEU 40 1HB LEU 40 5.542 -7.292 0.349 326 2HB LEU 40 2HB LEU 40 6.550 -8.719 0.643 327 HG LEU 40 HG LEU 40 8.568 -7.014 0.470 328 1HD1 LEU 40 3HD1 LEU 40 7.179 -5.072 -0.257 329 2HD1 LEU 40 1HD1 LEU 40 6.285 -5.159 1.277 330 3HD1 LEU 40 2HD1 LEU 40 8.015 -4.767 1.273 331 1HD2 LEU 40 3HD2 LEU 40 6.729 -7.118 2.884 332 2HD2 LEU 40 1HD2 LEU 40 8.008 -8.279 2.478 333 3HD2 LEU 40 2HD2 LEU 40 8.428 -6.607 2.885 334 H LYS 41 H LYS 41 7.084 -10.385 -1.072 335 HA LYS 41 HA LYS 41 9.987 -10.555 -1.246 336 1HB LYS 41 1HB LYS 41 7.757 -12.625 -1.343 337 2HB LYS 41 2HB LYS 41 9.486 -12.999 -1.330 338 1HG LYS 41 1HG LYS 41 9.702 -11.732 0.831 339 2HG LYS 41 2HG LYS 41 7.952 -11.532 0.865 340 1HD LYS 41 1HD LYS 41 9.511 -14.164 0.908 341 2HD LYS 41 2HD LYS 41 8.678 -13.422 2.276 342 1HE LYS 41 1HE LYS 41 7.372 -14.578 -0.235 343 2HE LYS 41 2HE LYS 41 7.347 -15.262 1.391 344 1HZ LYS 41 3HZ LYS 41 6.138 -13.337 2.126 345 2HZ LYS 41 1HZ LYS 41 6.141 -12.700 0.604 346 3HZ LYS 41 2HZ LYS 41 5.336 -14.106 0.909 347 H GLY 42 H GLY 42 7.393 -11.803 -3.324 348 1HA GLY 42 1HA GLY 42 9.177 -12.327 -5.573 349 2HA GLY 42 2HA GLY 42 7.427 -12.584 -5.485 350 H GLY 43 H GLY 43 9.727 -9.842 -5.364 351 1HA GLY 43 1HA GLY 43 8.408 -8.567 -7.695 352 2HA GLY 43 2HA GLY 43 8.354 -7.681 -6.160 353 H SER 44 H SER 44 10.123 -6.428 -5.667 354 HA SER 44 HA SER 44 12.805 -7.004 -6.213 355 1HB SER 44 1HB SER 44 12.188 -6.461 -8.592 356 2HB SER 44 2HB SER 44 11.587 -4.881 -8.049 357 HG SER 44 HG SER 44 13.812 -4.889 -8.828 358 H THR 45 H THR 45 13.607 -4.221 -6.275 359 HA THR 45 HA THR 45 13.194 -3.557 -3.509 360 HB THR 45 HB THR 45 14.276 -1.430 -3.974 361 HG1 THR 45 HG1 THR 45 14.634 -2.004 -6.661 362 1HG2 THR 45 3HG2 THR 45 15.709 -3.427 -3.749 363 2HG2 THR 45 1HG2 THR 45 15.640 -3.700 -5.500 364 3HG2 THR 45 2HG2 THR 45 16.414 -2.239 -4.860 365 H LEU 46 H LEU 46 11.881 -2.046 -2.518 366 HA LEU 46 HA LEU 46 9.326 -1.450 -3.464 367 1HB LEU 46 1HB LEU 46 9.989 -1.187 -1.103 368 2HB LEU 46 2HB LEU 46 11.189 0.033 -1.549 369 HG LEU 46 HG LEU 46 9.363 1.584 -2.250 370 1HD1 LEU 46 1HD1 LEU 46 7.542 -0.572 -1.071 371 2HD1 LEU 46 2HD1 LEU 46 7.037 1.071 -1.516 372 3HD1 LEU 46 3HD1 LEU 46 7.571 -0.053 -2.771 373 1HD2 LEU 46 3HD2 LEU 46 9.243 0.489 0.576 374 2HD2 LEU 46 1HD2 LEU 46 10.357 1.731 -0.032 375 3HD2 LEU 46 2HD2 LEU 46 8.621 2.075 0.064 376 H ASP 47 H ASP 47 12.319 0.420 -3.766 377 HA ASP 47 HA ASP 47 11.355 2.665 -5.112 378 1HB ASP 47 1HB ASP 47 14.007 1.199 -5.456 379 2HB ASP 47 2HB ASP 47 13.664 2.856 -5.967 380 H GLU 48 H GLU 48 12.732 -0.274 -6.631 381 HA GLU 48 HA GLU 48 12.057 0.429 -9.283 382 1HB GLU 48 1HB GLU 48 12.380 -2.261 -7.928 383 2HB GLU 48 2HB GLU 48 12.002 -2.127 -9.652 384 1HG GLU 48 1HG GLU 48 14.007 -0.964 -10.166 385 2HG GLU 48 2HG GLU 48 14.350 -0.603 -8.471 386 H LEU 49 H LEU 49 10.091 -1.403 -6.933 387 HA LEU 49 HA LEU 49 7.859 -1.760 -8.693 388 1HB LEU 49 1HB LEU 49 8.245 -1.811 -5.702 389 2HB LEU 49 2HB LEU 49 6.601 -1.638 -6.321 390 HG LEU 49 HG LEU 49 6.780 -3.671 -7.639 391 1HD1 LEU 49 1HD1 LEU 49 9.544 -4.015 -6.403 392 2HD1 LEU 49 2HD1 LEU 49 8.673 -5.220 -7.373 393 3HD1 LEU 49 3HD1 LEU 49 9.211 -3.717 -8.125 394 1HD2 LEU 49 1HD2 LEU 49 5.965 -3.777 -5.309 395 2HD2 LEU 49 2HD2 LEU 49 6.812 -5.268 -5.756 396 3HD2 LEU 49 3HD2 LEU 49 7.621 -4.063 -4.733 397 H PHE 50 H PHE 50 8.626 0.900 -6.471 398 HA PHE 50 HA PHE 50 6.220 2.352 -6.855 399 1HB PHE 50 1HB PHE 50 7.897 2.705 -5.047 400 2HB PHE 50 2HB PHE 50 9.011 3.384 -6.224 401 HD1 PHE 50 HD1 PHE 50 5.697 3.811 -4.599 402 HD2 PHE 50 HD2 PHE 50 8.740 5.721 -6.966 403 HE1 PHE 50 HE1 PHE 50 4.851 6.027 -3.896 404 HE2 PHE 50 HE2 PHE 50 8.114 7.911 -5.974 405 HZ PHE 50 HZ PHE 50 6.259 8.017 -4.300 406 H GLU 51 H GLU 51 9.406 2.589 -8.516 407 HA GLU 51 HA GLU 51 8.644 4.628 -10.328 408 1HB GLU 51 1HB GLU 51 10.724 2.404 -10.464 409 2HB GLU 51 2HB GLU 51 10.412 3.454 -11.844 410 1HG GLU 51 1HG GLU 51 12.230 4.454 -10.787 411 2HG GLU 51 2HG GLU 51 10.850 5.473 -10.386 412 H GLU 52 H GLU 52 8.488 1.088 -10.675 413 HA GLU 52 HA GLU 52 7.375 0.985 -13.285 414 1HB GLU 52 1HB GLU 52 6.990 -0.860 -10.897 415 2HB GLU 52 2HB GLU 52 6.372 -1.218 -12.509 416 1HG GLU 52 1HG GLU 52 8.562 -1.361 -13.453 417 2HG GLU 52 2HG GLU 52 9.325 -0.670 -12.020 418 H LEU 53 H LEU 53 5.739 1.217 -10.141 419 HA LEU 53 HA LEU 53 3.081 1.157 -11.220 420 1HB LEU 53 1HB LEU 53 4.230 2.091 -8.569 421 2HB LEU 53 2HB LEU 53 2.512 2.007 -8.930 422 HG LEU 53 HG LEU 53 4.341 -0.426 -9.049 423 1HD1 LEU 53 3HD1 LEU 53 4.212 0.541 -6.762 424 2HD1 LEU 53 1HD1 LEU 53 2.437 0.487 -6.855 425 3HD1 LEU 53 2HD1 LEU 53 3.384 -1.020 -6.870 426 1HD2 LEU 53 3HD2 LEU 53 1.319 -0.157 -9.110 427 2HD2 LEU 53 1HD2 LEU 53 2.378 -0.754 -10.408 428 3HD2 LEU 53 2HD2 LEU 53 2.228 -1.681 -8.926 429 H ASP 54 H ASP 54 5.221 3.814 -10.290 430 HA ASP 54 HA ASP 54 3.225 5.855 -10.608 431 1HB ASP 54 1HB ASP 54 5.073 6.141 -9.061 432 2HB ASP 54 2HB ASP 54 6.214 6.027 -10.385 433 H LYS 55 H LYS 55 2.674 4.826 -12.854 434 HA LYS 55 HA LYS 55 4.193 5.945 -15.116 435 1HB LYS 55 1HB LYS 55 1.435 4.805 -15.024 436 2HB LYS 55 2HB LYS 55 2.381 5.310 -16.442 437 1HG LYS 55 1HG LYS 55 3.126 3.044 -14.512 438 2HG LYS 55 2HG LYS 55 2.427 2.864 -16.127 439 1HD LYS 55 1HD LYS 55 4.511 4.154 -16.998 440 2HD LYS 55 2HD LYS 55 5.182 3.907 -15.373 441 1HE LYS 55 1HE LYS 55 6.037 2.171 -16.784 442 2HE LYS 55 2HE LYS 55 4.890 1.432 -15.658 443 1HZ LYS 55 1HZ LYS 55 4.316 2.175 -18.444 444 2HZ LYS 55 2HZ LYS 55 4.615 0.650 -17.895 445 3HZ LYS 55 3HZ LYS 55 3.262 1.449 -17.405 446 H ASN 56 H ASN 56 4.237 7.871 -14.019 447 HA ASN 56 HA ASN 56 2.738 9.899 -15.329 448 1HB ASN 56 1HB ASN 56 1.221 10.785 -13.815 449 2HB ASN 56 2HB ASN 56 1.306 9.211 -13.039 450 1HD2 ASN 56 1HD2 ASN 56 1.997 10.644 -10.181 451 2HD2 ASN 56 2HD2 ASN 56 1.203 9.357 -11.020 452 H GLY 57 H GLY 57 4.722 9.270 -12.405 453 1HA GLY 57 1HA GLY 57 7.037 9.600 -12.425 454 2HA GLY 57 2HA GLY 57 6.905 10.870 -13.638 455 H ASP 58 H ASP 58 4.547 11.524 -11.222 456 HA ASP 58 HA ASP 58 6.113 13.687 -10.190 457 1HB ASP 58 1HB ASP 58 4.191 14.348 -9.074 458 2HB ASP 58 2HB ASP 58 3.609 13.698 -10.595 459 H GLY 59 H GLY 59 6.310 10.440 -9.345 460 1HA GLY 59 1HA GLY 59 7.568 9.511 -7.692 461 2HA GLY 59 2HA GLY 59 7.817 11.098 -6.952 462 H GLU 60 H GLU 60 4.695 9.552 -7.745 463 HA GLU 60 HA GLU 60 4.167 8.311 -5.223 464 1HB GLU 60 1HB GLU 60 2.641 10.828 -5.971 465 2HB GLU 60 2HB GLU 60 2.122 9.598 -4.783 466 1HG GLU 60 1HG GLU 60 4.251 10.143 -3.494 467 2HG GLU 60 2HG GLU 60 4.351 11.602 -4.506 468 H VAL 61 H VAL 61 1.808 7.430 -5.401 469 HA VAL 61 HA VAL 61 1.319 6.754 -8.290 470 HB VAL 61 HB VAL 61 1.069 4.815 -5.991 471 1HG1 VAL 61 3HG1 VAL 61 -0.041 4.381 -8.251 472 2HG1 VAL 61 1HG1 VAL 61 1.608 4.376 -8.951 473 3HG1 VAL 61 2HG1 VAL 61 1.127 3.171 -7.723 474 1HG2 VAL 61 3HG2 VAL 61 3.494 5.390 -7.737 475 2HG2 VAL 61 1HG2 VAL 61 3.418 5.442 -5.963 476 3HG2 VAL 61 2HG2 VAL 61 3.291 3.898 -6.816 477 H SER 62 H SER 62 -0.578 7.683 -8.844 478 HA SER 62 HA SER 62 -2.893 7.839 -7.081 479 1HB SER 62 1HB SER 62 -2.537 8.384 -10.052 480 2HB SER 62 2HB SER 62 -4.020 8.682 -9.131 481 HG SER 62 HG SER 62 -1.503 9.830 -8.464 482 H PHE 63 H PHE 63 -5.014 6.876 -7.680 483 HA PHE 63 HA PHE 63 -4.829 4.125 -7.655 484 1HB PHE 63 1HB PHE 63 -6.745 5.370 -6.784 485 2HB PHE 63 2HB PHE 63 -7.282 5.723 -8.429 486 HD1 PHE 63 HD1 PHE 63 -6.362 2.834 -6.192 487 HD2 PHE 63 HD2 PHE 63 -8.772 4.164 -9.510 488 HE1 PHE 63 HE1 PHE 63 -7.448 0.618 -6.292 489 HE2 PHE 63 HE2 PHE 63 -9.880 1.949 -9.579 490 HZ PHE 63 HZ PHE 63 -9.236 0.174 -7.943 491 H GLU 64 H GLU 64 -5.412 6.160 -10.521 492 HA GLU 64 HA GLU 64 -6.161 4.042 -12.261 493 1HB GLU 64 1HB GLU 64 -4.779 6.698 -12.902 494 2HB GLU 64 2HB GLU 64 -5.520 5.611 -14.086 495 1HG GLU 64 1HG GLU 64 -7.719 5.870 -12.986 496 2HG GLU 64 2HG GLU 64 -7.014 6.961 -11.783 497 H GLU 65 H GLU 65 -2.941 5.651 -11.976 498 HA GLU 65 HA GLU 65 -1.595 3.697 -13.554 499 1HB GLU 65 1HB GLU 65 0.461 4.692 -12.677 500 2HB GLU 65 2HB GLU 65 -0.688 5.892 -13.270 501 1HG GLU 65 1HG GLU 65 -1.443 6.253 -10.866 502 2HG GLU 65 2HG GLU 65 -0.116 5.192 -10.365 503 H PHE 66 H PHE 66 -2.225 3.826 -10.031 504 HA PHE 66 HA PHE 66 -0.799 1.541 -9.175 505 1HB PHE 66 1HB PHE 66 -1.866 2.923 -7.565 506 2HB PHE 66 2HB PHE 66 -3.371 2.810 -8.455 507 HD1 PHE 66 HD1 PHE 66 -1.150 0.813 -6.209 508 HD2 PHE 66 HD2 PHE 66 -4.987 1.206 -8.089 509 HE1 PHE 66 HE1 PHE 66 -2.094 -0.939 -4.693 510 HE2 PHE 66 HE2 PHE 66 -5.795 -0.811 -6.922 511 HZ PHE 66 HZ PHE 66 -4.416 -1.739 -5.021 512 H GLN 67 H GLN 67 -3.659 1.674 -11.319 513 HA GLN 67 HA GLN 67 -4.418 -1.032 -11.011 514 1HB GLN 67 1HB GLN 67 -4.456 0.514 -13.627 515 2HB GLN 67 2HB GLN 67 -5.246 -1.022 -13.297 516 1HG GLN 67 1HG GLN 67 -6.018 1.671 -12.156 517 2HG GLN 67 2HG GLN 67 -6.956 0.574 -13.157 518 1HE2 GLN 67 1HE2 GLN 67 -6.800 0.188 -9.076 519 2HE2 GLN 67 2HE2 GLN 67 -5.939 1.430 -9.967 520 H VAL 68 H VAL 68 -1.394 0.146 -12.336 521 HA VAL 68 HA VAL 68 -0.633 -2.214 -13.747 522 HB VAL 68 HB VAL 68 0.969 -0.202 -12.134 523 1HG1 VAL 68 1HG1 VAL 68 1.972 -2.408 -13.993 524 2HG1 VAL 68 2HG1 VAL 68 2.960 -1.075 -13.358 525 3HG1 VAL 68 3HG1 VAL 68 2.300 -2.282 -12.252 526 1HG2 VAL 68 1HG2 VAL 68 -0.180 0.654 -14.201 527 2HG2 VAL 68 2HG2 VAL 68 1.583 0.673 -14.338 528 3HG2 VAL 68 3HG2 VAL 68 0.645 -0.600 -15.142 529 H LEU 69 H LEU 69 -0.844 -1.533 -10.229 530 HA LEU 69 HA LEU 69 0.479 -3.998 -9.476 531 1HB LEU 69 1HB LEU 69 0.156 -1.887 -7.980 532 2HB LEU 69 2HB LEU 69 -1.508 -2.419 -7.803 533 HG LEU 69 HG LEU 69 -0.508 -4.705 -7.023 534 1HD1 LEU 69 1HD1 LEU 69 1.932 -2.898 -6.693 535 2HD1 LEU 69 2HD1 LEU 69 1.740 -4.496 -5.964 536 3HD1 LEU 69 3HD1 LEU 69 1.842 -4.342 -7.724 537 1HD2 LEU 69 3HD2 LEU 69 -0.137 -2.212 -5.327 538 2HD2 LEU 69 1HD2 LEU 69 -1.636 -3.162 -5.512 539 3HD2 LEU 69 2HD2 LEU 69 -0.226 -3.879 -4.720 540 H VAL 70 H VAL 70 -2.893 -2.831 -9.843 541 HA VAL 70 HA VAL 70 -4.217 -5.210 -9.071 542 HB VAL 70 HB VAL 70 -5.108 -3.179 -11.156 543 1HG1 VAL 70 1HG1 VAL 70 -6.716 -5.207 -9.563 544 2HG1 VAL 70 2HG1 VAL 70 -7.383 -3.905 -10.570 545 3HG1 VAL 70 3HG1 VAL 70 -6.451 -5.205 -11.319 546 1HG2 VAL 70 3HG2 VAL 70 -5.510 -3.317 -8.129 547 2HG2 VAL 70 1HG2 VAL 70 -4.641 -2.061 -9.008 548 3HG2 VAL 70 2HG2 VAL 70 -6.391 -2.224 -9.197 549 H LYS 71 H LYS 71 -2.812 -4.287 -12.233 550 HA LYS 71 HA LYS 71 -3.473 -6.693 -13.605 551 1HB LYS 71 1HB LYS 71 -2.780 -4.828 -14.846 552 2HB LYS 71 2HB LYS 71 -1.252 -4.667 -13.977 553 1HG LYS 71 1HG LYS 71 -0.419 -6.758 -14.860 554 2HG LYS 71 2HG LYS 71 -1.947 -7.084 -15.692 555 1HD LYS 71 1HD LYS 71 0.006 -4.783 -16.226 556 2HD LYS 71 2HD LYS 71 -0.190 -6.229 -17.219 557 1HE LYS 71 1HE LYS 71 -2.221 -3.980 -16.841 558 2HE LYS 71 2HE LYS 71 -1.316 -4.387 -18.299 559 1HZ LYS 71 3HZ LYS 71 -2.473 -6.484 -18.364 560 2HZ LYS 71 1HZ LYS 71 -3.341 -6.082 -17.023 561 3HZ LYS 71 2HZ LYS 71 -3.526 -5.217 -18.412 562 H LYS 72 H LYS 72 -0.441 -5.839 -11.925 563 HA LYS 72 HA LYS 72 0.783 -8.364 -12.029 564 1HB LYS 72 1HB LYS 72 0.989 -6.113 -10.032 565 2HB LYS 72 2HB LYS 72 1.648 -7.682 -9.606 566 1HG LYS 72 1HG LYS 72 3.447 -6.529 -10.466 567 2HG LYS 72 2HG LYS 72 3.002 -7.693 -11.716 568 1HD LYS 72 1HD LYS 72 1.792 -5.846 -12.932 569 2HD LYS 72 2HD LYS 72 2.314 -4.716 -11.670 570 1HE LYS 72 1HE LYS 72 4.201 -6.303 -13.472 571 2HE LYS 72 2HE LYS 72 3.731 -4.614 -13.717 572 1HZ LYS 72 3HZ LYS 72 4.691 -4.098 -11.584 573 2HZ LYS 72 1HZ LYS 72 5.179 -5.660 -11.389 574 3HZ LYS 72 2HZ LYS 72 5.812 -4.744 -12.600 575 H ILE 73 H ILE 73 -1.807 -7.392 -9.823 576 HA ILE 73 HA ILE 73 -1.797 -9.939 -8.399 577 HB ILE 73 HB ILE 73 -3.945 -7.804 -8.652 578 1HG1 ILE 73 1HG1 ILE 73 -1.870 -7.047 -7.487 579 2HG1 ILE 73 2HG1 ILE 73 -3.331 -7.026 -6.510 580 1HG2 ILE 73 1HG2 ILE 73 -3.857 -10.293 -6.918 581 2HG2 ILE 73 2HG2 ILE 73 -4.916 -8.903 -6.599 582 3HG2 ILE 73 3HG2 ILE 73 -5.097 -9.823 -8.091 583 1HD1 ILE 73 1HD1 ILE 73 -1.151 -9.152 -6.380 584 2HD1 ILE 73 2HD1 ILE 73 -1.408 -7.805 -5.251 585 3HD1 ILE 73 3HD1 ILE 73 -2.613 -9.099 -5.373 586 H SER 74 H SER 74 -4.117 -8.598 -10.725 587 HA SER 74 HA SER 74 -5.648 -10.968 -10.858 588 1HB SER 74 1HB SER 74 -6.807 -9.873 -12.769 589 2HB SER 74 2HB SER 74 -6.660 -8.846 -11.330 590 HG SER 74 HG SER 74 -4.942 -7.771 -12.313 591 H GLN 75 H GLN 75 -2.959 -9.964 -12.894 592 HA GLN 75 HA GLN 75 -1.960 -10.918 -14.733 593 1HB GLN 75 1HB GLN 75 -2.460 -13.113 -12.728 594 2HB GLN 75 2HB GLN 75 -1.361 -13.343 -14.111 595 1HG GLN 75 1HG GLN 75 0.107 -11.596 -13.322 596 2HG GLN 75 2HG GLN 75 -1.074 -11.058 -12.127 597 1HE2 GLN 75 1HE2 GLN 75 -0.388 -13.674 -9.774 598 2HE2 GLN 75 2HE2 GLN 75 -1.621 -12.538 -10.314 No H/Q in entry = 598 Start of MODEL 22 Raw file had 599 H/Q atoms Start of MODEL 22 1 1H LYS 1 1H LYS 1 -7.795 -10.605 -4.507 2 2H LYS 1 2H LYS 1 -6.780 -9.272 -4.364 3 3H LYS 1 3H LYS 1 -7.137 -10.206 -3.012 4 HA LYS 1 HA LYS 1 -9.417 -9.580 -3.114 5 1HB LYS 1 1HB LYS 1 -7.511 -7.210 -3.210 6 2HB LYS 1 2HB LYS 1 -9.134 -7.204 -2.546 7 1HG LYS 1 1HG LYS 1 -7.980 -7.435 -0.607 8 2HG LYS 1 2HG LYS 1 -8.218 -9.151 -0.993 9 1HD LYS 1 1HD LYS 1 -5.963 -9.188 -2.045 10 2HD LYS 1 2HD LYS 1 -5.777 -7.456 -1.703 11 1HE LYS 1 1HE LYS 1 -5.822 -7.890 0.718 12 2HE LYS 1 2HE LYS 1 -6.134 -9.614 0.431 13 1HZ LYS 1 1HZ LYS 1 -3.727 -8.180 -0.449 14 2HZ LYS 1 2HZ LYS 1 -3.810 -9.151 0.874 15 3HZ LYS 1 3HZ LYS 1 -4.023 -9.784 -0.626 16 H SER 2 H SER 2 -11.122 -8.362 -4.276 17 HA SER 2 HA SER 2 -10.737 -8.275 -7.131 18 1HB SER 2 1HB SER 2 -13.153 -7.336 -6.911 19 2HB SER 2 2HB SER 2 -12.847 -8.984 -6.337 20 HG SER 2 HG SER 2 -13.996 -7.759 -4.782 21 HA PRO 3 HA PRO 3 -9.416 -4.093 -7.758 22 1HB PRO 3 1HB PRO 3 -12.024 -3.697 -9.260 23 2HB PRO 3 2HB PRO 3 -10.392 -3.104 -9.695 24 1HG PRO 3 1HG PRO 3 -11.327 -5.365 -10.848 25 2HG PRO 3 2HG PRO 3 -9.657 -5.338 -10.206 26 1HD PRO 3 1HD PRO 3 -12.126 -6.529 -8.939 27 2HD PRO 3 2HD PRO 3 -10.461 -7.180 -9.033 28 H GLU 4 H GLU 4 -12.912 -4.324 -6.965 29 HA GLU 4 HA GLU 4 -13.316 -1.802 -5.802 30 1HB GLU 4 1HB GLU 4 -14.623 -4.425 -5.063 31 2HB GLU 4 2HB GLU 4 -15.188 -2.789 -4.696 32 1HG GLU 4 1HG GLU 4 -16.283 -2.873 -6.630 33 2HG GLU 4 2HG GLU 4 -14.763 -2.568 -7.430 34 H GLU 5 H GLU 5 -12.152 -4.841 -4.350 35 HA GLU 5 HA GLU 5 -12.049 -3.755 -1.641 36 1HB GLU 5 1HB GLU 5 -11.014 -6.294 -2.949 37 2HB GLU 5 2HB GLU 5 -10.775 -5.922 -1.226 38 1HG GLU 5 1HG GLU 5 -13.478 -6.168 -2.638 39 2HG GLU 5 2HG GLU 5 -12.717 -7.429 -1.662 40 H LEU 6 H LEU 6 -9.830 -4.233 -4.363 41 HA LEU 6 HA LEU 6 -7.495 -3.287 -3.026 42 1HB LEU 6 1HB LEU 6 -8.275 -3.436 -5.945 43 2HB LEU 6 2HB LEU 6 -6.754 -2.804 -5.395 44 HG LEU 6 HG LEU 6 -7.859 -5.607 -4.830 45 1HD1 LEU 6 3HD1 LEU 6 -6.994 -5.154 -7.178 46 2HD1 LEU 6 1HD1 LEU 6 -5.388 -4.924 -6.417 47 3HD1 LEU 6 2HD1 LEU 6 -6.208 -6.483 -6.294 48 1HD2 LEU 6 3HD2 LEU 6 -5.230 -4.307 -3.989 49 2HD2 LEU 6 1HD2 LEU 6 -6.424 -5.108 -2.935 50 3HD2 LEU 6 2HD2 LEU 6 -5.467 -6.061 -4.057 51 H LYS 7 H LYS 7 -10.036 -1.508 -4.760 52 HA LYS 7 HA LYS 7 -8.831 1.050 -4.353 53 1HB LYS 7 1HB LYS 7 -10.871 0.636 -5.756 54 2HB LYS 7 2HB LYS 7 -11.808 0.354 -4.307 55 1HG LYS 7 1HG LYS 7 -12.221 2.569 -5.140 56 2HG LYS 7 2HG LYS 7 -11.506 2.634 -3.529 57 1HD LYS 7 1HD LYS 7 -9.294 3.206 -4.505 58 2HD LYS 7 2HD LYS 7 -9.969 3.071 -6.136 59 1HE LYS 7 1HE LYS 7 -10.861 5.071 -4.005 60 2HE LYS 7 2HE LYS 7 -9.744 5.413 -5.335 61 1HZ LYS 7 3HZ LYS 7 -11.497 4.868 -6.869 62 2HZ LYS 7 1HZ LYS 7 -12.547 4.599 -5.625 63 3HZ LYS 7 2HZ LYS 7 -11.935 6.106 -5.870 64 H GLY 8 H GLY 8 -11.041 -0.823 -2.332 65 1HA GLY 8 1HA GLY 8 -11.258 0.852 -0.074 66 2HA GLY 8 2HA GLY 8 -11.237 -0.920 -0.001 67 H ILE 9 H ILE 9 -8.806 -1.636 -0.702 68 HA ILE 9 HA ILE 9 -7.058 -1.257 1.491 69 HB ILE 9 HB ILE 9 -6.679 -2.267 -1.311 70 1HG1 ILE 9 1HG1 ILE 9 -8.256 -3.337 0.531 71 2HG1 ILE 9 2HG1 ILE 9 -7.278 -4.340 -0.545 72 1HG2 ILE 9 1HG2 ILE 9 -4.697 -2.428 0.955 73 2HG2 ILE 9 2HG2 ILE 9 -4.633 -3.413 -0.526 74 3HG2 ILE 9 3HG2 ILE 9 -4.488 -1.656 -0.623 75 1HD1 ILE 9 1HD1 ILE 9 -6.450 -3.535 2.279 76 2HD1 ILE 9 2HD1 ILE 9 -7.283 -5.043 1.856 77 3HD1 ILE 9 3HD1 ILE 9 -5.671 -4.733 1.205 78 H PHE 10 H PHE 10 -6.877 0.073 -1.861 79 HA PHE 10 HA PHE 10 -4.585 1.627 -1.620 80 1HB PHE 10 1HB PHE 10 -5.844 1.210 -3.731 81 2HB PHE 10 2HB PHE 10 -7.135 2.229 -3.173 82 HD1 PHE 10 HD1 PHE 10 -6.856 4.695 -2.884 83 HD2 PHE 10 HD2 PHE 10 -3.812 2.201 -4.671 84 HE1 PHE 10 HE1 PHE 10 -5.803 6.688 -3.867 85 HE2 PHE 10 HE2 PHE 10 -2.741 4.228 -5.635 86 HZ PHE 10 HZ PHE 10 -3.749 6.455 -5.251 87 H GLU 11 H GLU 11 -7.978 2.522 -0.868 88 HA GLU 11 HA GLU 11 -7.389 5.187 0.025 89 1HB GLU 11 1HB GLU 11 -9.721 3.314 0.586 90 2HB GLU 11 2HB GLU 11 -9.659 5.004 1.107 91 1HG GLU 11 1HG GLU 11 -9.488 5.793 -1.186 92 2HG GLU 11 2HG GLU 11 -9.372 4.146 -1.811 93 H LYS 12 H LYS 12 -7.911 2.125 1.838 94 HA LYS 12 HA LYS 12 -7.581 2.978 4.449 95 1HB LYS 12 1HB LYS 12 -8.180 0.740 4.071 96 2HB LYS 12 2HB LYS 12 -6.781 0.405 3.050 97 1HG LYS 12 1HG LYS 12 -5.245 0.412 4.835 98 2HG LYS 12 2HG LYS 12 -6.465 1.072 5.972 99 1HD LYS 12 1HD LYS 12 -7.814 -1.094 5.453 100 2HD LYS 12 2HD LYS 12 -6.318 -1.712 4.737 101 1HE LYS 12 1HE LYS 12 -6.758 -0.767 7.615 102 2HE LYS 12 2HE LYS 12 -6.546 -2.440 7.082 103 1HZ LYS 12 1HZ LYS 12 -4.516 -0.330 6.848 104 2HZ LYS 12 2HZ LYS 12 -4.556 -1.494 8.012 105 3HZ LYS 12 3HZ LYS 12 -4.320 -1.916 6.442 106 H TYR 13 H TYR 13 -4.928 2.011 2.213 107 HA TYR 13 HA TYR 13 -2.941 2.755 4.237 108 1HB TYR 13 1HB TYR 13 -2.709 1.737 1.420 109 2HB TYR 13 2HB TYR 13 -1.322 2.197 2.413 110 HD1 TYR 13 HD1 TYR 13 -1.001 1.139 4.672 111 HD2 TYR 13 HD2 TYR 13 -4.022 -0.291 2.025 112 HE1 TYR 13 HE1 TYR 13 -1.189 -0.980 5.996 113 HE2 TYR 13 HE2 TYR 13 -4.156 -2.412 3.207 114 HH TYR 13 HH TYR 13 -3.512 -3.558 5.144 115 H ALA 14 H ALA 14 -4.085 4.169 1.189 116 HA ALA 14 HA ALA 14 -2.257 6.331 1.059 117 1HB ALA 14 3HB ALA 14 -3.674 5.570 -0.823 118 2HB ALA 14 1HB ALA 14 -5.110 6.190 0.016 119 3HB ALA 14 2HB ALA 14 -3.833 7.288 -0.540 120 H ALA 15 H ALA 15 -5.196 5.939 2.949 121 HA ALA 15 HA ALA 15 -5.581 8.592 3.776 122 1HB ALA 15 3HB ALA 15 -7.149 6.751 4.286 123 2HB ALA 15 1HB ALA 15 -5.949 6.038 5.394 124 3HB ALA 15 2HB ALA 15 -6.667 7.614 5.762 125 H LYS 16 H LYS 16 -3.019 6.280 4.771 126 HA LYS 16 HA LYS 16 -2.384 7.694 7.218 127 1HB LYS 16 1HB LYS 16 -0.843 5.674 5.554 128 2HB LYS 16 2HB LYS 16 -0.133 6.503 6.930 129 1HG LYS 16 1HG LYS 16 -0.938 4.353 7.614 130 2HG LYS 16 2HG LYS 16 -1.831 5.631 8.450 131 1HD LYS 16 1HD LYS 16 -3.797 5.265 7.063 132 2HD LYS 16 2HD LYS 16 -2.872 4.261 5.942 133 1HE LYS 16 1HE LYS 16 -4.302 2.882 7.347 134 2HE LYS 16 2HE LYS 16 -2.597 2.520 7.656 135 1HZ LYS 16 1HZ LYS 16 -4.311 4.253 9.305 136 2HZ LYS 16 2HZ LYS 16 -3.860 2.711 9.675 137 3HZ LYS 16 3HZ LYS 16 -2.727 3.905 9.605 138 H GLU 17 H GLU 17 -0.556 9.082 7.532 139 HA GLU 17 HA GLU 17 0.590 10.958 7.183 140 1HB GLU 17 1HB GLU 17 0.701 10.368 4.208 141 2HB GLU 17 2HB GLU 17 1.635 11.551 5.113 142 1HG GLU 17 1HG GLU 17 2.705 9.717 6.421 143 2HG GLU 17 2HG GLU 17 1.785 8.522 5.489 144 H GLY 18 H GLY 18 -1.607 10.570 4.429 145 1HA GLY 18 1HA GLY 18 -3.877 11.566 4.982 146 2HA GLY 18 2HA GLY 18 -3.038 13.109 5.168 147 H ASP 19 H ASP 19 -2.810 10.455 2.639 148 HA ASP 19 HA ASP 19 -3.747 12.464 0.646 149 1HB ASP 19 1HB ASP 19 -1.247 12.302 0.759 150 2HB ASP 19 2HB ASP 19 -1.372 10.635 0.201 151 HA PRO 20 HA PRO 20 -5.903 8.243 0.787 152 1HB PRO 20 1HB PRO 20 -8.388 9.340 0.078 153 2HB PRO 20 2HB PRO 20 -7.822 8.926 1.725 154 1HG PRO 20 1HG PRO 20 -7.755 11.595 0.307 155 2HG PRO 20 2HG PRO 20 -8.209 11.263 2.006 156 1HD PRO 20 1HD PRO 20 -5.788 12.220 1.423 157 2HD PRO 20 2HD PRO 20 -5.914 10.892 2.610 158 H ASN 21 H ASN 21 -5.600 10.795 -1.560 159 HA ASN 21 HA ASN 21 -6.940 9.474 -3.765 160 1HB ASN 21 1HB ASN 21 -5.050 11.779 -4.194 161 2HB ASN 21 2HB ASN 21 -6.644 11.474 -4.873 162 1HD2 ASN 21 1HD2 ASN 21 -6.140 13.702 -1.467 163 2HD2 ASN 21 2HD2 ASN 21 -4.792 12.792 -2.135 164 H GLN 22 H GLN 22 -3.660 9.549 -2.426 165 HA GLN 22 HA GLN 22 -2.559 8.207 -4.819 166 1HB GLN 22 1HB GLN 22 -2.664 10.688 -5.229 167 2HB GLN 22 2HB GLN 22 -1.632 10.906 -3.818 168 1HG GLN 22 1HG GLN 22 0.098 9.479 -5.014 169 2HG GLN 22 2HG GLN 22 -1.013 9.361 -6.383 170 1HE2 GLN 22 1HE2 GLN 22 1.224 12.027 -7.467 171 2HE2 GLN 22 2HE2 GLN 22 0.977 10.299 -7.521 172 H LEU 23 H LEU 23 -1.144 6.644 -4.104 173 HA LEU 23 HA LEU 23 -0.633 6.473 -1.248 174 1HB LEU 23 1HB LEU 23 0.161 4.761 -3.622 175 2HB LEU 23 2HB LEU 23 0.653 4.452 -1.968 176 HG LEU 23 HG LEU 23 -2.283 4.632 -2.637 177 1HD1 LEU 23 1HD1 LEU 23 -0.447 2.197 -2.714 178 2HD1 LEU 23 2HD1 LEU 23 -2.213 2.145 -2.839 179 3HD1 LEU 23 3HD1 LEU 23 -1.251 2.919 -4.120 180 1HD2 LEU 23 1HD2 LEU 23 -1.501 4.661 -0.227 181 2HD2 LEU 23 2HD2 LEU 23 -2.475 3.235 -0.621 182 3HD2 LEU 23 3HD2 LEU 23 -0.711 3.103 -0.489 183 H SER 24 H SER 24 1.231 7.164 -0.264 184 HA SER 24 HA SER 24 3.469 8.134 -1.832 185 1HB SER 24 1HB SER 24 4.527 8.629 0.258 186 2HB SER 24 2HB SER 24 2.814 8.996 0.487 187 HG SER 24 HG SER 24 3.502 7.761 2.223 188 H LYS 25 H LYS 25 5.724 7.152 -1.462 189 HA LYS 25 HA LYS 25 5.752 4.401 -2.104 190 1HB LYS 25 1HB LYS 25 7.594 6.230 -2.385 191 2HB LYS 25 2HB LYS 25 8.076 5.783 -0.740 192 1HG LYS 25 1HG LYS 25 8.127 3.364 -1.588 193 2HG LYS 25 2HG LYS 25 7.922 3.969 -3.205 194 1HD LYS 25 1HD LYS 25 10.230 4.833 -1.418 195 2HD LYS 25 2HD LYS 25 10.310 3.481 -2.556 196 1HE LYS 25 1HE LYS 25 9.772 4.996 -4.447 197 2HE LYS 25 2HE LYS 25 9.712 6.373 -3.338 198 1HZ LYS 25 1HZ LYS 25 12.068 4.673 -3.798 199 2HZ LYS 25 2HZ LYS 25 11.814 6.170 -4.444 200 3HZ LYS 25 3HZ LYS 25 11.997 5.994 -2.816 201 H GLU 26 H GLU 26 5.843 6.072 1.039 202 HA GLU 26 HA GLU 26 6.476 3.697 2.560 203 1HB GLU 26 1HB GLU 26 5.036 6.217 3.547 204 2HB GLU 26 2HB GLU 26 5.941 5.036 4.504 205 1HG GLU 26 1HG GLU 26 7.987 5.681 3.123 206 2HG GLU 26 2HG GLU 26 7.053 7.044 2.489 207 H GLU 27 H GLU 27 3.488 5.421 1.786 208 HA GLU 27 HA GLU 27 1.720 3.666 3.195 209 1HB GLU 27 1HB GLU 27 1.266 5.314 0.710 210 2HB GLU 27 2HB GLU 27 -0.024 4.528 1.639 211 1HG GLU 27 1HG GLU 27 0.138 5.959 3.446 212 2HG GLU 27 2HG GLU 27 1.846 6.286 3.214 213 H LEU 28 H LEU 28 2.912 3.512 -0.242 214 HA LEU 28 HA LEU 28 1.828 0.961 -0.837 215 1HB LEU 28 1HB LEU 28 4.370 2.389 -1.687 216 2HB LEU 28 2HB LEU 28 4.063 0.736 -2.230 217 HG LEU 28 HG LEU 28 1.998 2.868 -2.504 218 1HD1 LEU 28 1HD1 LEU 28 4.286 2.259 -4.412 219 2HD1 LEU 28 2HD1 LEU 28 2.829 3.179 -4.847 220 3HD1 LEU 28 3HD1 LEU 28 3.917 3.807 -3.598 221 1HD2 LEU 28 1HD2 LEU 28 1.307 0.466 -2.937 222 2HD2 LEU 28 2HD2 LEU 28 1.233 1.429 -4.420 223 3HD2 LEU 28 3HD2 LEU 28 2.600 0.337 -4.140 224 H LYS 29 H LYS 29 4.892 1.694 0.861 225 HA LYS 29 HA LYS 29 5.636 -1.059 0.905 226 1HB LYS 29 1HB LYS 29 6.970 1.106 1.471 227 2HB LYS 29 2HB LYS 29 6.198 1.067 3.025 228 1HG LYS 29 1HG LYS 29 7.181 -1.287 3.339 229 2HG LYS 29 2HG LYS 29 8.056 -1.055 1.831 230 1HD LYS 29 1HD LYS 29 9.223 0.923 2.834 231 2HD LYS 29 2HD LYS 29 8.255 0.748 4.302 232 1HE LYS 29 1HE LYS 29 10.475 -0.202 4.661 233 2HE LYS 29 2HE LYS 29 9.250 -1.478 4.740 234 1HZ LYS 29 1HZ LYS 29 10.935 -0.874 2.408 235 2HZ LYS 29 2HZ LYS 29 11.160 -2.119 3.464 236 3HZ LYS 29 3HZ LYS 29 9.822 -2.087 2.508 237 H LEU 30 H LEU 30 3.811 0.895 3.206 238 HA LEU 30 HA LEU 30 3.300 -1.257 5.050 239 1HB LEU 30 1HB LEU 30 1.627 1.220 4.427 240 2HB LEU 30 2HB LEU 30 1.329 0.149 5.800 241 HG LEU 30 HG LEU 30 3.934 1.688 5.394 242 1HD1 LEU 30 3HD1 LEU 30 2.035 3.229 5.691 243 2HD1 LEU 30 1HD1 LEU 30 1.526 2.339 7.142 244 3HD1 LEU 30 2HD1 LEU 30 3.072 3.214 7.125 245 1HD2 LEU 30 3HD2 LEU 30 2.792 0.176 7.786 246 2HD2 LEU 30 1HD2 LEU 30 4.223 -0.284 6.839 247 3HD2 LEU 30 2HD2 LEU 30 4.249 1.187 7.814 248 H LEU 31 H LEU 31 1.305 -0.085 2.377 249 HA LEU 31 HA LEU 31 -0.782 -1.941 2.475 250 1HB LEU 31 1HB LEU 31 -0.566 0.024 0.973 251 2HB LEU 31 2HB LEU 31 0.606 -0.838 -0.013 252 HG LEU 31 HG LEU 31 -2.229 -1.821 0.430 253 1HD1 LEU 31 1HD1 LEU 31 -1.080 -0.051 -1.774 254 2HD1 LEU 31 2HD1 LEU 31 -2.701 -0.764 -1.809 255 3HD1 LEU 31 3HD1 LEU 31 -2.293 0.430 -0.569 256 1HD2 LEU 31 3HD2 LEU 31 -0.114 -2.488 -1.671 257 2HD2 LEU 31 1HD2 LEU 31 -0.851 -3.605 -0.499 258 3HD2 LEU 31 2HD2 LEU 31 -1.823 -2.943 -1.805 259 H LEU 32 H LEU 32 2.268 -2.216 0.715 260 HA LEU 32 HA LEU 32 1.822 -4.835 -0.301 261 1HB LEU 32 1HB LEU 32 4.388 -3.277 0.269 262 2HB LEU 32 2HB LEU 32 4.370 -4.821 -0.587 263 HG LEU 32 HG LEU 32 2.721 -2.473 -1.597 264 1HD1 LEU 32 1HD1 LEU 32 5.608 -3.175 -2.298 265 2HD1 LEU 32 2HD1 LEU 32 4.599 -1.958 -3.114 266 3HD1 LEU 32 3HD1 LEU 32 5.072 -1.724 -1.425 267 1HD2 LEU 32 3HD2 LEU 32 3.908 -4.933 -2.937 268 2HD2 LEU 32 1HD2 LEU 32 2.195 -4.711 -2.510 269 3HD2 LEU 32 2HD2 LEU 32 2.941 -3.668 -3.726 270 H GLN 33 H GLN 33 3.770 -3.783 2.607 271 HA GLN 33 HA GLN 33 4.557 -6.414 3.323 272 1HB GLN 33 1HB GLN 33 4.075 -3.917 4.970 273 2HB GLN 33 2HB GLN 33 4.732 -5.401 5.666 274 1HG GLN 33 1HG GLN 33 6.697 -5.355 4.323 275 2HG GLN 33 2HG GLN 33 6.080 -4.060 3.292 276 1HE2 GLN 33 1HE2 GLN 33 6.381 -1.540 5.954 277 2HE2 GLN 33 2HE2 GLN 33 5.242 -2.109 4.723 278 H THR 34 H THR 34 1.731 -4.512 4.340 279 HA THR 34 HA THR 34 0.882 -6.526 6.211 280 HB THR 34 HB THR 34 -0.810 -4.284 5.059 281 HG1 THR 34 HG1 THR 34 1.027 -3.346 5.782 282 1HG2 THR 34 1HG2 THR 34 -0.802 -5.756 7.741 283 2HG2 THR 34 2HG2 THR 34 -1.811 -4.352 7.359 284 3HG2 THR 34 3HG2 THR 34 -2.055 -5.877 6.485 285 H GLU 35 H GLU 35 -0.254 -5.635 2.897 286 HA GLU 35 HA GLU 35 -2.348 -7.672 3.038 287 1HB GLU 35 1HB GLU 35 -1.649 -5.567 0.939 288 2HB GLU 35 2HB GLU 35 -3.078 -6.580 0.950 289 1HG GLU 35 1HG GLU 35 -2.285 -4.498 3.046 290 2HG GLU 35 2HG GLU 35 -3.487 -4.297 1.783 291 H PHE 36 H PHE 36 0.764 -7.200 1.436 292 HA PHE 36 HA PHE 36 0.481 -9.825 0.045 293 1HB PHE 36 1HB PHE 36 1.217 -7.173 -1.237 294 2HB PHE 36 2HB PHE 36 1.296 -8.747 -2.015 295 HD1 PHE 36 HD1 PHE 36 -0.924 -10.164 -2.046 296 HD2 PHE 36 HD2 PHE 36 -0.722 -5.877 -1.635 297 HE1 PHE 36 HE1 PHE 36 -3.109 -9.960 -3.200 298 HE2 PHE 36 HE2 PHE 36 -2.915 -5.683 -2.867 299 HZ PHE 36 HZ PHE 36 -4.082 -7.737 -3.625 300 HA PRO 37 HA PRO 37 4.667 -9.059 2.212 301 1HB PRO 37 1HB PRO 37 4.084 -12.022 2.496 302 2HB PRO 37 2HB PRO 37 4.992 -10.957 3.606 303 1HG PRO 37 1HG PRO 37 2.397 -11.610 4.116 304 2HG PRO 37 2HG PRO 37 2.980 -9.948 4.379 305 1HD PRO 37 1HD PRO 37 1.326 -11.009 2.101 306 2HD PRO 37 2HD PRO 37 1.264 -9.431 2.937 307 H SER 38 H SER 38 3.410 -11.506 -0.088 308 HA SER 38 HA SER 38 5.815 -12.753 -0.751 309 1HB SER 38 1HB SER 38 3.438 -12.417 -2.620 310 2HB SER 38 2HB SER 38 4.491 -13.827 -2.416 311 HG SER 38 HG SER 38 3.575 -14.060 -0.306 312 H LEU 39 H LEU 39 4.164 -9.934 -2.113 313 HA LEU 39 HA LEU 39 5.405 -9.846 -4.637 314 1HB LEU 39 1HB LEU 39 4.072 -7.837 -2.819 315 2HB LEU 39 2HB LEU 39 4.675 -7.339 -4.420 316 HG LEU 39 HG LEU 39 2.558 -9.462 -3.859 317 1HD1 LEU 39 3HD1 LEU 39 1.940 -7.009 -3.522 318 2HD1 LEU 39 1HD1 LEU 39 2.306 -6.751 -5.234 319 3HD1 LEU 39 2HD1 LEU 39 0.996 -7.854 -4.757 320 1HD2 LEU 39 3HD2 LEU 39 3.690 -8.451 -6.508 321 2HD2 LEU 39 1HD2 LEU 39 3.681 -10.129 -5.917 322 3HD2 LEU 39 2HD2 LEU 39 2.167 -9.348 -6.350 323 H LEU 40 H LEU 40 6.629 -8.709 -1.551 324 HA LEU 40 HA LEU 40 8.649 -6.939 -2.526 325 1HB LEU 40 1HB LEU 40 8.440 -8.683 -0.035 326 2HB LEU 40 2HB LEU 40 9.837 -7.662 -0.380 327 HG LEU 40 HG LEU 40 8.411 -5.647 -0.439 328 1HD1 LEU 40 1HD1 LEU 40 6.199 -7.544 0.474 329 2HD1 LEU 40 2HD1 LEU 40 6.146 -5.783 0.647 330 3HD1 LEU 40 3HD1 LEU 40 6.190 -6.498 -0.967 331 1HD2 LEU 40 1HD2 LEU 40 9.620 -6.349 1.602 332 2HD2 LEU 40 2HD2 LEU 40 8.102 -5.530 2.000 333 3HD2 LEU 40 3HD2 LEU 40 8.207 -7.300 2.113 334 H LYS 41 H LYS 41 8.457 -10.461 -2.332 335 HA LYS 41 HA LYS 41 11.273 -10.789 -3.247 336 1HB LYS 41 1HB LYS 41 9.282 -12.613 -1.832 337 2HB LYS 41 2HB LYS 41 10.873 -13.104 -2.418 338 1HG LYS 41 1HG LYS 41 11.927 -11.381 -0.955 339 2HG LYS 41 2HG LYS 41 10.336 -10.933 -0.330 340 1HD LYS 41 1HD LYS 41 11.612 -13.698 -0.073 341 2HD LYS 41 2HD LYS 41 11.598 -12.447 1.180 342 1HE LYS 41 1HE LYS 41 9.076 -12.490 1.146 343 2HE LYS 41 2HE LYS 41 9.149 -13.861 0.022 344 1HZ LYS 41 3HZ LYS 41 10.352 -15.082 1.669 345 2HZ LYS 41 1HZ LYS 41 10.279 -13.816 2.724 346 3HZ LYS 41 2HZ LYS 41 8.897 -14.580 2.256 347 H GLY 42 H GLY 42 8.137 -12.412 -3.554 348 1HA GLY 42 1HA GLY 42 8.680 -13.395 -6.284 349 2HA GLY 42 2HA GLY 42 7.244 -13.686 -5.286 350 H GLY 43 H GLY 43 9.007 -10.908 -6.672 351 1HA GLY 43 1HA GLY 43 7.047 -10.008 -8.466 352 2HA GLY 43 2HA GLY 43 6.744 -9.157 -6.939 353 H SER 44 H SER 44 8.439 -7.717 -6.075 354 HA SER 44 HA SER 44 10.986 -7.357 -7.232 355 1HB SER 44 1HB SER 44 8.649 -5.979 -8.539 356 2HB SER 44 2HB SER 44 10.017 -4.970 -8.122 357 HG SER 44 HG SER 44 10.158 -7.417 -9.561 358 H THR 45 H THR 45 11.920 -5.234 -6.415 359 HA THR 45 HA THR 45 11.175 -4.951 -3.635 360 HB THR 45 HB THR 45 12.963 -3.280 -3.538 361 HG1 THR 45 HG1 THR 45 13.251 -3.656 -6.324 362 1HG2 THR 45 3HG2 THR 45 13.594 -5.676 -3.476 363 2HG2 THR 45 1HG2 THR 45 13.815 -5.675 -5.236 364 3HG2 THR 45 2HG2 THR 45 14.851 -4.664 -4.212 365 H LEU 46 H LEU 46 10.725 -2.864 -2.612 366 HA LEU 46 HA LEU 46 8.405 -1.637 -3.471 367 1HB LEU 46 1HB LEU 46 9.339 -1.542 -1.159 368 2HB LEU 46 2HB LEU 46 10.696 -0.573 -1.744 369 HG LEU 46 HG LEU 46 9.048 1.259 -2.363 370 1HD1 LEU 46 1HD1 LEU 46 7.143 -0.542 -0.810 371 2HD1 LEU 46 2HD1 LEU 46 6.812 1.138 -1.275 372 3HD1 LEU 46 3HD1 LEU 46 6.993 -0.094 -2.524 373 1HD2 LEU 46 3HD2 LEU 46 9.308 0.307 0.506 374 2HD2 LEU 46 1HD2 LEU 46 10.380 1.414 -0.364 375 3HD2 LEU 46 2HD2 LEU 46 8.736 1.923 0.052 376 H ASP 47 H ASP 47 11.720 -0.408 -3.865 377 HA ASP 47 HA ASP 47 11.021 2.016 -5.133 378 1HB ASP 47 1HB ASP 47 13.561 0.335 -5.281 379 2HB ASP 47 2HB ASP 47 13.390 1.973 -5.917 380 H GLU 48 H GLU 48 11.930 -1.135 -6.503 381 HA GLU 48 HA GLU 48 11.598 -0.478 -9.239 382 1HB GLU 48 1HB GLU 48 11.180 -3.070 -7.731 383 2HB GLU 48 2HB GLU 48 11.021 -2.960 -9.489 384 1HG GLU 48 1HG GLU 48 13.322 -2.255 -9.743 385 2HG GLU 48 2HG GLU 48 13.554 -2.152 -7.995 386 H LEU 49 H LEU 49 9.160 -1.755 -6.945 387 HA LEU 49 HA LEU 49 6.986 -1.682 -8.788 388 1HB LEU 49 1HB LEU 49 7.225 -1.730 -5.800 389 2HB LEU 49 2HB LEU 49 5.726 -1.065 -6.452 390 HG LEU 49 HG LEU 49 5.344 -3.089 -7.799 391 1HD1 LEU 49 1HD1 LEU 49 7.766 -4.189 -6.310 392 2HD1 LEU 49 2HD1 LEU 49 6.664 -5.130 -7.333 393 3HD1 LEU 49 3HD1 LEU 49 7.680 -3.870 -8.057 394 1HD2 LEU 49 1HD2 LEU 49 4.367 -2.844 -5.546 395 2HD2 LEU 49 2HD2 LEU 49 4.725 -4.541 -5.912 396 3HD2 LEU 49 3HD2 LEU 49 5.799 -3.623 -4.835 397 H PHE 50 H PHE 50 8.105 0.851 -6.549 398 HA PHE 50 HA PHE 50 6.110 2.736 -7.233 399 1HB PHE 50 1HB PHE 50 7.733 2.788 -5.300 400 2HB PHE 50 2HB PHE 50 8.994 3.254 -6.422 401 HD1 PHE 50 HD1 PHE 50 8.825 5.584 -7.549 402 HD2 PHE 50 HD2 PHE 50 6.032 4.293 -4.525 403 HE1 PHE 50 HE1 PHE 50 8.110 7.966 -7.147 404 HE2 PHE 50 HE2 PHE 50 5.429 6.641 -4.078 405 HZ PHE 50 HZ PHE 50 6.636 8.462 -5.244 406 H GLU 51 H GLU 51 9.346 2.171 -8.717 407 HA GLU 51 HA GLU 51 9.031 4.329 -10.596 408 1HB GLU 51 1HB GLU 51 10.735 1.792 -10.585 409 2HB GLU 51 2HB GLU 51 10.949 3.092 -11.770 410 1HG GLU 51 1HG GLU 51 11.636 4.671 -10.102 411 2HG GLU 51 2HG GLU 51 11.156 3.621 -8.770 412 H GLU 52 H GLU 52 8.332 0.873 -10.776 413 HA GLU 52 HA GLU 52 7.539 0.711 -13.489 414 1HB GLU 52 1HB GLU 52 6.505 -0.752 -11.041 415 2HB GLU 52 2HB GLU 52 5.951 -1.106 -12.674 416 1HG GLU 52 1HG GLU 52 8.095 -1.849 -13.387 417 2HG GLU 52 2HG GLU 52 8.908 -1.184 -11.973 418 H LEU 53 H LEU 53 5.666 1.686 -10.611 419 HA LEU 53 HA LEU 53 3.253 2.110 -12.180 420 1HB LEU 53 1HB LEU 53 3.932 2.770 -9.302 421 2HB LEU 53 2HB LEU 53 2.321 2.770 -10.025 422 HG LEU 53 HG LEU 53 4.108 0.300 -9.826 423 1HD1 LEU 53 3HD1 LEU 53 3.330 1.228 -7.619 424 2HD1 LEU 53 1HD1 LEU 53 1.661 0.962 -8.184 425 3HD1 LEU 53 2HD1 LEU 53 2.781 -0.408 -8.003 426 1HD2 LEU 53 3HD2 LEU 53 1.211 0.512 -10.635 427 2HD2 LEU 53 1HD2 LEU 53 2.591 0.085 -11.685 428 3HD2 LEU 53 2HD2 LEU 53 2.147 -0.980 -10.363 429 H ASP 54 H ASP 54 5.445 4.267 -10.401 430 HA ASP 54 HA ASP 54 4.273 6.672 -11.714 431 1HB ASP 54 1HB ASP 54 4.149 6.807 -9.323 432 2HB ASP 54 2HB ASP 54 5.799 6.226 -9.122 433 H LYS 55 H LYS 55 5.414 6.746 -13.612 434 HA LYS 55 HA LYS 55 8.142 6.051 -13.801 435 1HB LYS 55 1HB LYS 55 6.167 6.464 -15.627 436 2HB LYS 55 2HB LYS 55 6.975 8.013 -15.758 437 1HG LYS 55 1HG LYS 55 7.765 6.391 -17.421 438 2HG LYS 55 2HG LYS 55 9.080 6.915 -16.367 439 1HD LYS 55 1HD LYS 55 9.048 4.450 -16.942 440 2HD LYS 55 2HD LYS 55 9.152 4.804 -15.226 441 1HE LYS 55 1HE LYS 55 6.664 4.389 -15.018 442 2HE LYS 55 2HE LYS 55 6.630 3.960 -16.742 443 1HZ LYS 55 3HZ LYS 55 8.185 2.189 -16.170 444 2HZ LYS 55 1HZ LYS 55 8.136 2.671 -14.582 445 3HZ LYS 55 2HZ LYS 55 6.778 2.086 -15.296 446 H ASN 56 H ASN 56 6.916 8.662 -12.240 447 HA ASN 56 HA ASN 56 8.456 10.066 -11.037 448 1HB ASN 56 1HB ASN 56 9.885 11.605 -12.029 449 2HB ASN 56 2HB ASN 56 10.347 10.097 -12.767 450 1HD2 ASN 56 1HD2 ASN 56 9.295 11.234 -16.056 451 2HD2 ASN 56 2HD2 ASN 56 9.650 9.818 -15.052 452 H GLY 57 H GLY 57 6.238 10.193 -13.660 453 1HA GLY 57 1HA GLY 57 5.713 12.876 -14.032 454 2HA GLY 57 2HA GLY 57 4.524 11.583 -14.249 455 H ASP 58 H ASP 58 3.824 10.683 -11.834 456 HA ASP 58 HA ASP 58 2.559 13.059 -10.647 457 1HB ASP 58 1HB ASP 58 0.920 11.581 -9.853 458 2HB ASP 58 2HB ASP 58 1.124 11.356 -11.584 459 H GLY 59 H GLY 59 5.178 11.011 -9.930 460 1HA GLY 59 1HA GLY 59 6.687 11.096 -8.242 461 2HA GLY 59 2HA GLY 59 5.869 12.568 -7.688 462 H GLU 60 H GLU 60 3.510 10.374 -7.475 463 HA GLU 60 HA GLU 60 4.239 8.588 -5.324 464 1HB GLU 60 1HB GLU 60 2.108 10.727 -4.939 465 2HB GLU 60 2HB GLU 60 2.335 9.346 -3.869 466 1HG GLU 60 1HG GLU 60 4.366 11.572 -4.318 467 2HG GLU 60 2HG GLU 60 3.154 11.560 -3.055 468 H VAL 61 H VAL 61 2.180 7.087 -5.148 469 HA VAL 61 HA VAL 61 1.508 6.654 -8.011 470 HB VAL 61 HB VAL 61 1.457 4.826 -5.617 471 1HG1 VAL 61 3HG1 VAL 61 -0.196 4.110 -7.346 472 2HG1 VAL 61 1HG1 VAL 61 1.095 4.160 -8.565 473 3HG1 VAL 61 2HG1 VAL 61 1.175 3.003 -7.221 474 1HG2 VAL 61 3HG2 VAL 61 3.348 5.138 -8.006 475 2HG2 VAL 61 1HG2 VAL 61 3.753 5.457 -6.307 476 3HG2 VAL 61 2HG2 VAL 61 3.442 3.805 -6.866 477 H SER 62 H SER 62 -0.421 7.462 -8.770 478 HA SER 62 HA SER 62 -2.750 7.655 -7.020 479 1HB SER 62 1HB SER 62 -3.819 8.557 -9.062 480 2HB SER 62 2HB SER 62 -2.328 9.402 -8.612 481 HG SER 62 HG SER 62 -2.543 8.771 -10.894 482 H PHE 63 H PHE 63 -4.853 6.727 -7.619 483 HA PHE 63 HA PHE 63 -4.723 3.964 -7.541 484 1HB PHE 63 1HB PHE 63 -6.602 5.268 -6.682 485 2HB PHE 63 2HB PHE 63 -7.133 5.612 -8.331 486 HD1 PHE 63 HD1 PHE 63 -6.296 2.739 -6.039 487 HD2 PHE 63 HD2 PHE 63 -8.652 4.065 -9.398 488 HE1 PHE 63 HE1 PHE 63 -7.462 0.565 -6.076 489 HE2 PHE 63 HE2 PHE 63 -9.849 1.896 -9.398 490 HZ PHE 63 HZ PHE 63 -9.272 0.144 -7.713 491 H GLU 64 H GLU 64 -5.362 6.024 -10.416 492 HA GLU 64 HA GLU 64 -6.082 3.890 -12.090 493 1HB GLU 64 1HB GLU 64 -5.825 5.342 -13.931 494 2HB GLU 64 2HB GLU 64 -6.678 6.140 -12.612 495 1HG GLU 64 1HG GLU 64 -3.730 6.603 -13.224 496 2HG GLU 64 2HG GLU 64 -5.040 7.516 -13.956 497 H GLU 65 H GLU 65 -2.791 5.351 -11.622 498 HA GLU 65 HA GLU 65 -1.659 3.383 -13.452 499 1HB GLU 65 1HB GLU 65 0.521 4.174 -12.723 500 2HB GLU 65 2HB GLU 65 -0.534 5.458 -13.323 501 1HG GLU 65 1HG GLU 65 -0.980 6.227 -11.054 502 2HG GLU 65 2HG GLU 65 -0.104 4.856 -10.366 503 H PHE 66 H PHE 66 -2.184 3.544 -9.923 504 HA PHE 66 HA PHE 66 -0.810 1.208 -9.150 505 1HB PHE 66 1HB PHE 66 -1.815 2.551 -7.478 506 2HB PHE 66 2HB PHE 66 -3.341 2.517 -8.309 507 HD1 PHE 66 HD1 PHE 66 -1.088 0.373 -6.227 508 HD2 PHE 66 HD2 PHE 66 -5.004 1.011 -7.861 509 HE1 PHE 66 HE1 PHE 66 -1.990 -1.469 -4.814 510 HE2 PHE 66 HE2 PHE 66 -5.845 -1.007 -6.720 511 HZ PHE 66 HZ PHE 66 -4.349 -2.185 -5.058 512 H GLN 67 H GLN 67 -3.787 1.446 -11.149 513 HA GLN 67 HA GLN 67 -4.476 -1.299 -11.032 514 1HB GLN 67 1HB GLN 67 -4.641 0.416 -13.537 515 2HB GLN 67 2HB GLN 67 -5.467 -1.107 -13.222 516 1HG GLN 67 1HG GLN 67 -6.018 1.568 -11.934 517 2HG GLN 67 2HG GLN 67 -7.098 0.552 -12.881 518 1HE2 GLN 67 1HE2 GLN 67 -6.774 0.088 -8.851 519 2HE2 GLN 67 2HE2 GLN 67 -5.980 1.365 -9.757 520 H VAL 68 H VAL 68 -1.678 0.143 -12.615 521 HA VAL 68 HA VAL 68 -0.991 -2.165 -14.199 522 HB VAL 68 HB VAL 68 0.767 0.013 -13.030 523 1HG1 VAL 68 1HG1 VAL 68 1.355 -2.076 -15.163 524 2HG1 VAL 68 2HG1 VAL 68 2.371 -0.660 -14.816 525 3HG1 VAL 68 3HG1 VAL 68 2.158 -1.905 -13.584 526 1HG2 VAL 68 1HG2 VAL 68 -0.952 0.886 -14.601 527 2HG2 VAL 68 2HG2 VAL 68 0.666 0.969 -15.305 528 3HG2 VAL 68 3HG2 VAL 68 -0.451 -0.317 -15.807 529 H LEU 69 H LEU 69 -0.676 -1.342 -10.764 530 HA LEU 69 HA LEU 69 1.185 -3.476 -10.135 531 1HB LEU 69 1HB LEU 69 0.491 -1.271 -8.785 532 2HB LEU 69 2HB LEU 69 -0.767 -2.306 -8.131 533 HG LEU 69 HG LEU 69 2.245 -2.711 -7.945 534 1HD1 LEU 69 3HD1 LEU 69 1.154 -0.995 -6.436 535 2HD1 LEU 69 1HD1 LEU 69 0.123 -2.285 -5.795 536 3HD1 LEU 69 2HD1 LEU 69 1.879 -2.351 -5.557 537 1HD2 LEU 69 3HD2 LEU 69 0.001 -4.531 -6.986 538 2HD2 LEU 69 1HD2 LEU 69 1.324 -4.946 -8.109 539 3HD2 LEU 69 2HD2 LEU 69 1.679 -4.624 -6.413 540 H VAL 70 H VAL 70 -2.354 -2.866 -9.860 541 HA VAL 70 HA VAL 70 -3.154 -5.392 -8.934 542 HB VAL 70 HB VAL 70 -4.682 -3.660 -10.937 543 1HG1 VAL 70 1HG1 VAL 70 -5.579 -5.827 -9.005 544 2HG1 VAL 70 2HG1 VAL 70 -6.674 -4.727 -9.873 545 3HG1 VAL 70 3HG1 VAL 70 -5.670 -5.867 -10.776 546 1HG2 VAL 70 3HG2 VAL 70 -4.564 -3.578 -7.895 547 2HG2 VAL 70 1HG2 VAL 70 -4.119 -2.282 -8.994 548 3HG2 VAL 70 2HG2 VAL 70 -5.810 -2.763 -8.868 549 H LYS 71 H LYS 71 -2.608 -4.377 -12.339 550 HA LYS 71 HA LYS 71 -3.096 -6.892 -13.546 551 1HB LYS 71 1HB LYS 71 -2.959 -4.995 -14.925 552 2HB LYS 71 2HB LYS 71 -1.351 -4.550 -14.320 553 1HG LYS 71 1HG LYS 71 -0.288 -6.361 -15.417 554 2HG LYS 71 2HG LYS 71 -1.827 -7.164 -15.773 555 1HD LYS 71 1HD LYS 71 -0.839 -6.157 -17.766 556 2HD LYS 71 2HD LYS 71 -2.425 -5.470 -17.418 557 1HE LYS 71 1HE LYS 71 0.119 -4.090 -16.458 558 2HE LYS 71 2HE LYS 71 -0.444 -3.903 -18.126 559 1HZ LYS 71 3HZ LYS 71 -2.507 -3.077 -17.334 560 2HZ LYS 71 1HZ LYS 71 -2.040 -3.237 -15.764 561 3HZ LYS 71 2HZ LYS 71 -1.265 -2.168 -16.749 562 H LYS 72 H LYS 72 0.019 -5.540 -12.459 563 HA LYS 72 HA LYS 72 1.599 -7.822 -12.891 564 1HB LYS 72 1HB LYS 72 1.839 -5.434 -11.116 565 2HB LYS 72 2HB LYS 72 2.750 -6.852 -10.611 566 1HG LYS 72 1HG LYS 72 4.173 -5.488 -11.950 567 2HG LYS 72 2HG LYS 72 3.846 -7.000 -12.806 568 1HD LYS 72 1HD LYS 72 2.111 -5.808 -14.179 569 2HD LYS 72 2HD LYS 72 2.505 -4.306 -13.330 570 1HE LYS 72 1HE LYS 72 4.530 -5.916 -14.949 571 2HE LYS 72 2HE LYS 72 3.585 -4.564 -15.594 572 1HZ LYS 72 3HZ LYS 72 4.549 -3.148 -13.946 573 2HZ LYS 72 1HZ LYS 72 5.465 -4.374 -13.341 574 3HZ LYS 72 2HZ LYS 72 5.716 -3.844 -14.876 575 H ILE 73 H ILE 73 -0.523 -7.231 -10.105 576 HA ILE 73 HA ILE 73 0.205 -9.735 -8.805 577 HB ILE 73 HB ILE 73 -2.425 -8.215 -8.552 578 1HG1 ILE 73 1HG1 ILE 73 0.198 -8.005 -7.022 579 2HG1 ILE 73 2HG1 ILE 73 -0.646 -6.740 -7.919 580 1HG2 ILE 73 3HG2 ILE 73 -2.489 -10.616 -7.804 581 2HG2 ILE 73 1HG2 ILE 73 -1.134 -10.272 -6.711 582 3HG2 ILE 73 2HG2 ILE 73 -2.711 -9.484 -6.487 583 1HD1 ILE 73 3HD1 ILE 73 -2.550 -6.888 -6.295 584 2HD1 ILE 73 1HD1 ILE 73 -1.530 -7.970 -5.309 585 3HD1 ILE 73 2HD1 ILE 73 -1.016 -6.311 -5.614 586 H SER 74 H SER 74 -2.536 -8.774 -10.812 587 HA SER 74 HA SER 74 -3.673 -11.417 -11.037 588 1HB SER 74 1HB SER 74 -5.032 -9.364 -10.949 589 2HB SER 74 2HB SER 74 -4.296 -8.800 -12.464 590 HG SER 74 HG SER 74 -5.147 -10.653 -13.472 591 H GLN 75 H GLN 75 -1.298 -12.004 -11.880 592 HA GLN 75 HA GLN 75 -0.563 -11.680 -14.591 593 1HB GLN 75 1HB GLN 75 -0.164 -13.958 -12.612 594 2HB GLN 75 2HB GLN 75 0.670 -13.877 -14.171 595 1HG GLN 75 1HG GLN 75 2.031 -12.123 -13.539 596 2HG GLN 75 2HG GLN 75 0.844 -11.425 -12.446 597 1HE2 GLN 75 1HE2 GLN 75 1.836 -13.307 -9.593 598 2HE2 GLN 75 2HE2 GLN 75 0.524 -12.370 -10.297 No H/Q in entry = 598 Start of MODEL 23 Raw file had 599 H/Q atoms Start of MODEL 23 1 1H LYS 1 1H LYS 1 -8.573 -11.027 -4.863 2 2H LYS 1 2H LYS 1 -7.217 -10.038 -4.971 3 3H LYS 1 3H LYS 1 -7.591 -10.796 -3.517 4 HA LYS 1 HA LYS 1 -9.561 -9.521 -3.269 5 1HB LYS 1 1HB LYS 1 -7.145 -7.804 -3.881 6 2HB LYS 1 2HB LYS 1 -8.559 -7.381 -2.897 7 1HG LYS 1 1HG LYS 1 -7.941 -9.632 -1.599 8 2HG LYS 1 2HG LYS 1 -6.345 -9.366 -2.313 9 1HD LYS 1 1HD LYS 1 -6.536 -6.951 -1.390 10 2HD LYS 1 2HD LYS 1 -7.984 -7.521 -0.537 11 1HE LYS 1 1HE LYS 1 -5.126 -8.606 -0.214 12 2HE LYS 1 2HE LYS 1 -5.968 -7.548 0.928 13 1HZ LYS 1 3HZ LYS 1 -7.580 -9.272 1.260 14 2HZ LYS 1 1HZ LYS 1 -6.787 -10.269 0.211 15 3HZ LYS 1 2HZ LYS 1 -6.060 -9.805 1.614 16 H SER 2 H SER 2 -11.166 -8.195 -4.280 17 HA SER 2 HA SER 2 -11.146 -8.122 -7.182 18 1HB SER 2 1HB SER 2 -13.368 -7.073 -6.873 19 2HB SER 2 2HB SER 2 -13.203 -8.513 -5.859 20 HG SER 2 HG SER 2 -14.027 -6.823 -4.622 21 HA PRO 3 HA PRO 3 -9.549 -3.932 -7.716 22 1HB PRO 3 1HB PRO 3 -12.176 -3.385 -9.133 23 2HB PRO 3 2HB PRO 3 -10.527 -2.885 -9.615 24 1HG PRO 3 1HG PRO 3 -11.662 -5.039 -10.802 25 2HG PRO 3 2HG PRO 3 -9.966 -5.140 -10.239 26 1HD PRO 3 1HD PRO 3 -12.451 -6.182 -8.864 27 2HD PRO 3 2HD PRO 3 -10.867 -6.981 -9.104 28 H GLU 4 H GLU 4 -12.948 -4.378 -6.688 29 HA GLU 4 HA GLU 4 -13.331 -1.831 -5.459 30 1HB GLU 4 1HB GLU 4 -14.618 -4.523 -4.844 31 2HB GLU 4 2HB GLU 4 -15.208 -2.948 -4.307 32 1HG GLU 4 1HG GLU 4 -15.613 -2.248 -6.621 33 2HG GLU 4 2HG GLU 4 -14.940 -3.761 -7.246 34 H GLU 5 H GLU 5 -12.267 -4.984 -4.181 35 HA GLU 5 HA GLU 5 -11.904 -4.065 -1.459 36 1HB GLU 5 1HB GLU 5 -10.687 -6.358 -3.044 37 2HB GLU 5 2HB GLU 5 -10.290 -6.055 -1.348 38 1HG GLU 5 1HG GLU 5 -13.138 -6.522 -2.341 39 2HG GLU 5 2HG GLU 5 -12.087 -7.785 -1.686 40 H LEU 6 H LEU 6 -9.787 -4.291 -4.286 41 HA LEU 6 HA LEU 6 -7.450 -3.266 -3.054 42 1HB LEU 6 1HB LEU 6 -8.376 -3.413 -5.917 43 2HB LEU 6 2HB LEU 6 -6.822 -2.770 -5.456 44 HG LEU 6 HG LEU 6 -7.846 -5.574 -4.718 45 1HD1 LEU 6 3HD1 LEU 6 -7.248 -5.279 -7.158 46 2HD1 LEU 6 1HD1 LEU 6 -5.584 -4.919 -6.596 47 3HD1 LEU 6 2HD1 LEU 6 -6.300 -6.497 -6.266 48 1HD2 LEU 6 3HD2 LEU 6 -5.249 -4.124 -4.137 49 2HD2 LEU 6 1HD2 LEU 6 -6.272 -5.065 -3.019 50 3HD2 LEU 6 2HD2 LEU 6 -5.314 -5.885 -4.253 51 H LYS 7 H LYS 7 -10.071 -1.494 -4.685 52 HA LYS 7 HA LYS 7 -8.967 1.112 -4.284 53 1HB LYS 7 1HB LYS 7 -10.957 0.792 -5.616 54 2HB LYS 7 2HB LYS 7 -11.824 0.050 -4.309 55 1HG LYS 7 1HG LYS 7 -12.644 2.286 -4.746 56 2HG LYS 7 2HG LYS 7 -12.094 2.055 -3.096 57 1HD LYS 7 1HD LYS 7 -11.459 4.260 -3.850 58 2HD LYS 7 2HD LYS 7 -10.008 3.295 -3.580 59 1HE LYS 7 1HE LYS 7 -9.792 4.630 -5.615 60 2HE LYS 7 2HE LYS 7 -9.778 2.903 -5.969 61 1HZ LYS 7 1HZ LYS 7 -12.106 4.664 -6.269 62 2HZ LYS 7 2HZ LYS 7 -11.138 4.130 -7.495 63 3HZ LYS 7 3HZ LYS 7 -12.049 3.057 -6.642 64 H GLY 8 H GLY 8 -11.102 -0.790 -2.211 65 1HA GLY 8 1HA GLY 8 -11.245 0.869 0.059 66 2HA GLY 8 2HA GLY 8 -11.248 -0.902 0.136 67 H ILE 9 H ILE 9 -8.850 -1.667 -0.551 68 HA ILE 9 HA ILE 9 -7.018 -1.331 1.607 69 HB ILE 9 HB ILE 9 -6.748 -2.317 -1.222 70 1HG1 ILE 9 1HG1 ILE 9 -8.335 -3.354 0.680 71 2HG1 ILE 9 2HG1 ILE 9 -7.505 -4.338 -0.530 72 1HG2 ILE 9 1HG2 ILE 9 -4.769 -2.476 1.041 73 2HG2 ILE 9 2HG2 ILE 9 -4.727 -3.554 -0.386 74 3HG2 ILE 9 3HG2 ILE 9 -4.552 -1.810 -0.583 75 1HD1 ILE 9 1HD1 ILE 9 -6.421 -3.802 2.263 76 2HD1 ILE 9 2HD1 ILE 9 -7.440 -5.188 1.827 77 3HD1 ILE 9 3HD1 ILE 9 -5.862 -5.010 1.060 78 H PHE 10 H PHE 10 -7.004 0.063 -1.740 79 HA PHE 10 HA PHE 10 -4.610 1.492 -1.529 80 1HB PHE 10 1HB PHE 10 -5.977 1.063 -3.610 81 2HB PHE 10 2HB PHE 10 -7.129 2.245 -3.068 82 HD1 PHE 10 HD1 PHE 10 -6.295 4.664 -2.609 83 HD2 PHE 10 HD2 PHE 10 -3.990 1.709 -4.770 84 HE1 PHE 10 HE1 PHE 10 -4.738 6.372 -3.357 85 HE2 PHE 10 HE2 PHE 10 -2.679 3.538 -5.825 86 HZ PHE 10 HZ PHE 10 -3.102 5.877 -5.199 87 H GLU 11 H GLU 11 -7.966 2.449 -0.702 88 HA GLU 11 HA GLU 11 -7.293 5.086 0.196 89 1HB GLU 11 1HB GLU 11 -9.689 3.299 0.738 90 2HB GLU 11 2HB GLU 11 -9.559 4.973 1.307 91 1HG GLU 11 1HG GLU 11 -9.338 5.822 -0.958 92 2HG GLU 11 2HG GLU 11 -9.259 4.191 -1.622 93 H LYS 12 H LYS 12 -7.824 2.025 2.027 94 HA LYS 12 HA LYS 12 -7.366 2.733 4.682 95 1HB LYS 12 1HB LYS 12 -7.854 0.509 4.199 96 2HB LYS 12 2HB LYS 12 -6.491 0.350 3.103 97 1HG LYS 12 1HG LYS 12 -5.930 -0.822 5.027 98 2HG LYS 12 2HG LYS 12 -4.899 0.605 4.900 99 1HD LYS 12 1HD LYS 12 -6.218 1.754 6.629 100 2HD LYS 12 2HD LYS 12 -7.322 0.355 6.716 101 1HE LYS 12 1HE LYS 12 -5.425 -1.083 7.438 102 2HE LYS 12 2HE LYS 12 -4.324 0.302 7.323 103 1HZ LYS 12 3HZ LYS 12 -5.608 1.384 9.021 104 2HZ LYS 12 1HZ LYS 12 -6.629 0.095 9.128 105 3HZ LYS 12 2HZ LYS 12 -5.046 -0.071 9.553 106 H TYR 13 H TYR 13 -4.815 2.163 2.233 107 HA TYR 13 HA TYR 13 -2.814 3.103 4.167 108 1HB TYR 13 1HB TYR 13 -2.565 2.015 1.382 109 2HB TYR 13 2HB TYR 13 -1.206 2.555 2.377 110 HD1 TYR 13 HD1 TYR 13 -0.864 1.562 4.675 111 HD2 TYR 13 HD2 TYR 13 -3.726 -0.120 1.949 112 HE1 TYR 13 HE1 TYR 13 -1.123 -0.427 6.135 113 HE2 TYR 13 HE2 TYR 13 -3.996 -2.075 3.368 114 HH TYR 13 HH TYR 13 -1.825 -2.718 6.123 115 H ALA 14 H ALA 14 -3.867 4.273 0.980 116 HA ALA 14 HA ALA 14 -2.277 6.557 0.819 117 1HB ALA 14 3HB ALA 14 -3.683 5.692 -1.028 118 2HB ALA 14 1HB ALA 14 -5.138 6.243 -0.169 119 3HB ALA 14 2HB ALA 14 -3.948 7.420 -0.756 120 H ALA 15 H ALA 15 -5.411 6.239 2.437 121 HA ALA 15 HA ALA 15 -6.018 8.861 3.031 122 1HB ALA 15 1HB ALA 15 -6.355 6.421 4.824 123 2HB ALA 15 2HB ALA 15 -7.170 7.981 5.056 124 3HB ALA 15 3HB ALA 15 -7.510 7.024 3.605 125 H LYS 16 H LYS 16 -3.440 6.904 4.588 126 HA LYS 16 HA LYS 16 -3.160 8.579 6.891 127 1HB LYS 16 1HB LYS 16 -1.229 6.700 5.474 128 2HB LYS 16 2HB LYS 16 -0.836 7.570 6.965 129 1HG LYS 16 1HG LYS 16 -2.750 6.594 8.121 130 2HG LYS 16 2HG LYS 16 -3.239 5.701 6.676 131 1HD LYS 16 1HD LYS 16 -0.424 5.346 7.749 132 2HD LYS 16 2HD LYS 16 -1.752 4.594 8.636 133 1HE LYS 16 1HE LYS 16 -1.270 4.150 5.664 134 2HE LYS 16 2HE LYS 16 -0.638 3.108 6.949 135 1HZ LYS 16 3HZ LYS 16 -2.920 2.779 7.691 136 2HZ LYS 16 1HZ LYS 16 -3.476 3.593 6.364 137 3HZ LYS 16 2HZ LYS 16 -2.637 2.197 6.178 138 H GLU 17 H GLU 17 -2.153 9.052 3.570 139 HA GLU 17 HA GLU 17 -0.268 11.236 4.132 140 1HB GLU 17 1HB GLU 17 -1.702 10.314 1.619 141 2HB GLU 17 2HB GLU 17 -0.382 11.492 1.657 142 1HG GLU 17 1HG GLU 17 1.209 9.845 2.434 143 2HG GLU 17 2HG GLU 17 -0.063 8.646 2.701 144 H GLY 18 H GLY 18 -3.681 10.850 3.971 145 1HA GLY 18 1HA GLY 18 -5.282 12.567 4.327 146 2HA GLY 18 2HA GLY 18 -4.197 13.776 3.617 147 H ASP 19 H ASP 19 -3.344 12.744 1.293 148 HA ASP 19 HA ASP 19 -5.571 12.973 -0.444 149 1HB ASP 19 1HB ASP 19 -3.225 13.534 -1.038 150 2HB ASP 19 2HB ASP 19 -2.846 11.804 -1.115 151 HA PRO 20 HA PRO 20 -6.710 8.597 0.105 152 1HB PRO 20 1HB PRO 20 -9.079 8.600 -1.244 153 2HB PRO 20 2HB PRO 20 -8.893 9.332 0.388 154 1HG PRO 20 1HG PRO 20 -8.920 10.669 -2.322 155 2HG PRO 20 2HG PRO 20 -9.741 11.203 -0.832 156 1HD PRO 20 1HD PRO 20 -7.335 12.227 -1.690 157 2HD PRO 20 2HD PRO 20 -7.766 12.095 0.039 158 H ASN 21 H ASN 21 -6.426 10.256 -2.991 159 HA ASN 21 HA ASN 21 -6.941 7.876 -4.612 160 1HB ASN 21 1HB ASN 21 -6.313 10.777 -5.287 161 2HB ASN 21 2HB ASN 21 -6.706 9.538 -6.464 162 1HD2 ASN 21 1HD2 ASN 21 -10.182 9.342 -5.528 163 2HD2 ASN 21 2HD2 ASN 21 -8.815 8.342 -6.016 164 H GLN 22 H GLN 22 -4.135 9.087 -3.127 165 HA GLN 22 HA GLN 22 -2.373 7.954 -5.230 166 1HB GLN 22 1HB GLN 22 -2.823 10.434 -5.426 167 2HB GLN 22 2HB GLN 22 -1.995 10.633 -3.877 168 1HG GLN 22 1HG GLN 22 0.046 9.658 -4.892 169 2HG GLN 22 2HG GLN 22 -0.834 9.324 -6.393 170 1HE2 GLN 22 1HE2 GLN 22 0.732 12.365 -7.440 171 2HE2 GLN 22 2HE2 GLN 22 0.873 10.619 -7.479 172 H LEU 23 H LEU 23 -0.753 6.635 -4.426 173 HA LEU 23 HA LEU 23 -0.381 6.478 -1.503 174 1HB LEU 23 1HB LEU 23 0.326 4.610 -3.775 175 2HB LEU 23 2HB LEU 23 0.799 4.396 -2.106 176 HG LEU 23 HG LEU 23 -2.121 4.622 -2.814 177 1HD1 LEU 23 3HD1 LEU 23 -1.084 2.752 -4.133 178 2HD1 LEU 23 1HD1 LEU 23 -0.407 2.107 -2.626 179 3HD1 LEU 23 2HD1 LEU 23 -2.162 2.143 -2.855 180 1HD2 LEU 23 1HD2 LEU 23 -1.419 4.816 -0.406 181 2HD2 LEU 23 2HD2 LEU 23 -2.439 3.403 -0.736 182 3HD2 LEU 23 3HD2 LEU 23 -0.691 3.200 -0.534 183 H SER 24 H SER 24 1.542 6.951 -0.573 184 HA SER 24 HA SER 24 3.885 7.841 -2.081 185 1HB SER 24 1HB SER 24 4.835 8.200 0.127 186 2HB SER 24 2HB SER 24 3.165 8.759 0.179 187 HG SER 24 HG SER 24 3.138 7.412 1.868 188 H LYS 25 H LYS 25 6.059 6.758 -1.395 189 HA LYS 25 HA LYS 25 6.111 4.011 -2.056 190 1HB LYS 25 1HB LYS 25 8.064 5.733 -0.414 191 2HB LYS 25 2HB LYS 25 8.419 4.076 -0.918 192 1HG LYS 25 1HG LYS 25 8.317 4.688 -3.260 193 2HG LYS 25 2HG LYS 25 7.854 6.351 -2.834 194 1HD LYS 25 1HD LYS 25 9.959 6.733 -1.695 195 2HD LYS 25 2HD LYS 25 10.487 5.064 -1.970 196 1HE LYS 25 1HE LYS 25 9.741 6.905 -4.284 197 2HE LYS 25 2HE LYS 25 11.376 6.896 -3.588 198 1HZ LYS 25 1HZ LYS 25 10.010 4.574 -4.696 199 2HZ LYS 25 2HZ LYS 25 11.142 5.483 -5.477 200 3HZ LYS 25 3HZ LYS 25 11.561 4.643 -4.121 201 H GLU 26 H GLU 26 6.085 5.680 1.107 202 HA GLU 26 HA GLU 26 6.413 3.275 2.619 203 1HB GLU 26 1HB GLU 26 6.954 5.546 3.511 204 2HB GLU 26 2HB GLU 26 5.241 6.001 3.417 205 1HG GLU 26 1HG GLU 26 4.659 4.343 5.125 206 2HG GLU 26 2HG GLU 26 6.318 3.718 5.125 207 H GLU 27 H GLU 27 3.528 5.129 1.678 208 HA GLU 27 HA GLU 27 1.747 3.320 3.049 209 1HB GLU 27 1HB GLU 27 1.359 5.411 0.925 210 2HB GLU 27 2HB GLU 27 0.069 4.266 1.304 211 1HG GLU 27 1HG GLU 27 -0.179 6.307 2.652 212 2HG GLU 27 2HG GLU 27 0.010 4.850 3.618 213 H LEU 28 H LEU 28 3.042 3.247 -0.394 214 HA LEU 28 HA LEU 28 1.777 0.748 -0.950 215 1HB LEU 28 1HB LEU 28 4.351 2.054 -1.892 216 2HB LEU 28 2HB LEU 28 3.947 0.409 -2.409 217 HG LEU 28 HG LEU 28 1.919 2.587 -2.561 218 1HD1 LEU 28 1HD1 LEU 28 4.057 2.007 -4.633 219 2HD1 LEU 28 2HD1 LEU 28 2.605 3.007 -4.905 220 3HD1 LEU 28 3HD1 LEU 28 3.808 3.518 -3.706 221 1HD2 LEU 28 1HD2 LEU 28 1.183 0.205 -3.022 222 2HD2 LEU 28 2HD2 LEU 28 1.055 1.198 -4.481 223 3HD2 LEU 28 3HD2 LEU 28 2.423 0.089 -4.281 224 H LYS 29 H LYS 29 4.832 1.364 0.775 225 HA LYS 29 HA LYS 29 5.509 -1.403 0.799 226 1HB LYS 29 1HB LYS 29 6.936 0.651 1.387 227 2HB LYS 29 2HB LYS 29 6.098 0.744 2.909 228 1HG LYS 29 1HG LYS 29 6.971 -1.570 3.503 229 2HG LYS 29 2HG LYS 29 7.751 -1.619 1.918 230 1HD LYS 29 1HD LYS 29 9.532 -0.982 3.201 231 2HD LYS 29 2HD LYS 29 8.942 0.605 2.699 232 1HE LYS 29 1HE LYS 29 8.318 -0.768 5.370 233 2HE LYS 29 2HE LYS 29 9.576 0.450 5.116 234 1HZ LYS 29 3HZ LYS 29 7.868 1.990 4.452 235 2HZ LYS 29 1HZ LYS 29 6.701 0.871 4.774 236 3HZ LYS 29 2HZ LYS 29 7.644 1.447 5.992 237 H LEU 30 H LEU 30 3.813 0.587 3.175 238 HA LEU 30 HA LEU 30 3.203 -1.561 4.972 239 1HB LEU 30 1HB LEU 30 2.069 1.205 4.519 240 2HB LEU 30 2HB LEU 30 1.153 0.055 5.494 241 HG LEU 30 HG LEU 30 2.946 -0.257 7.060 242 1HD1 LEU 30 1HD1 LEU 30 4.528 1.773 5.432 243 2HD1 LEU 30 2HD1 LEU 30 4.978 1.147 7.027 244 3HD1 LEU 30 3HD1 LEU 30 4.931 0.052 5.641 245 1HD2 LEU 30 1HD2 LEU 30 1.332 1.570 7.415 246 2HD2 LEU 30 2HD2 LEU 30 2.926 2.004 8.058 247 3HD2 LEU 30 3HD2 LEU 30 2.379 2.690 6.512 248 H LEU 31 H LEU 31 1.294 -0.254 2.287 249 HA LEU 31 HA LEU 31 -0.923 -1.971 2.442 250 1HB LEU 31 1HB LEU 31 -0.647 -0.031 0.929 251 2HB LEU 31 2HB LEU 31 0.475 -0.944 -0.073 252 HG LEU 31 HG LEU 31 -2.387 -1.816 0.428 253 1HD1 LEU 31 1HD1 LEU 31 -1.239 -0.074 -1.799 254 2HD1 LEU 31 2HD1 LEU 31 -2.888 -0.718 -1.780 255 3HD1 LEU 31 3HD1 LEU 31 -2.388 0.449 -0.549 256 1HD2 LEU 31 3HD2 LEU 31 -0.348 -2.536 -1.730 257 2HD2 LEU 31 1HD2 LEU 31 -1.098 -3.640 -0.555 258 3HD2 LEU 31 2HD2 LEU 31 -2.074 -2.930 -1.830 259 H LEU 32 H LEU 32 2.084 -2.432 0.631 260 HA LEU 32 HA LEU 32 1.476 -5.049 -0.342 261 1HB LEU 32 1HB LEU 32 4.116 -3.629 0.235 262 2HB LEU 32 2HB LEU 32 4.032 -5.196 -0.578 263 HG LEU 32 HG LEU 32 2.540 -2.797 -1.695 264 1HD1 LEU 32 3HD1 LEU 32 4.944 -2.170 -1.460 265 2HD1 LEU 32 1HD1 LEU 32 5.403 -3.652 -2.321 266 3HD1 LEU 32 2HD1 LEU 32 4.472 -2.385 -3.151 267 1HD2 LEU 32 3HD2 LEU 32 3.659 -5.350 -2.916 268 2HD2 LEU 32 1HD2 LEU 32 1.942 -5.025 -2.578 269 3HD2 LEU 32 2HD2 LEU 32 2.804 -4.063 -3.791 270 H GLN 33 H GLN 33 3.448 -4.027 2.497 271 HA GLN 33 HA GLN 33 4.121 -6.577 3.402 272 1HB GLN 33 1HB GLN 33 5.127 -4.456 4.162 273 2HB GLN 33 2HB GLN 33 3.644 -4.057 5.047 274 1HG GLN 33 1HG GLN 33 3.956 -6.023 6.501 275 2HG GLN 33 2HG GLN 33 5.381 -6.514 5.570 276 1HE2 GLN 33 1HE2 GLN 33 7.442 -3.832 6.898 277 2HE2 GLN 33 2HE2 GLN 33 7.148 -4.701 5.400 278 H THR 34 H THR 34 1.276 -4.628 4.293 279 HA THR 34 HA THR 34 0.378 -6.621 6.202 280 HB THR 34 HB THR 34 -1.476 -4.601 4.954 281 HG1 THR 34 HG1 THR 34 0.435 -3.482 5.592 282 1HG2 THR 34 3HG2 THR 34 -2.382 -6.264 6.585 283 2HG2 THR 34 1HG2 THR 34 -1.203 -5.700 7.786 284 3HG2 THR 34 2HG2 THR 34 -2.479 -4.614 7.212 285 H GLU 35 H GLU 35 -0.674 -5.724 2.850 286 HA GLU 35 HA GLU 35 -2.807 -7.731 2.986 287 1HB GLU 35 1HB GLU 35 -2.132 -5.535 0.968 288 2HB GLU 35 2HB GLU 35 -3.584 -6.529 0.986 289 1HG GLU 35 1HG GLU 35 -2.630 -4.494 3.067 290 2HG GLU 35 2HG GLU 35 -3.983 -4.325 1.991 291 H PHE 36 H PHE 36 0.293 -7.314 1.392 292 HA PHE 36 HA PHE 36 -0.057 -9.920 0.020 293 1HB PHE 36 1HB PHE 36 0.809 -7.339 -1.342 294 2HB PHE 36 2HB PHE 36 0.800 -8.951 -2.041 295 HD1 PHE 36 HD1 PHE 36 -1.432 -10.237 -2.167 296 HD2 PHE 36 HD2 PHE 36 -1.157 -5.976 -1.566 297 HE1 PHE 36 HE1 PHE 36 -3.741 -9.970 -3.040 298 HE2 PHE 36 HE2 PHE 36 -3.437 -5.712 -2.619 299 HZ PHE 36 HZ PHE 36 -4.756 -7.733 -3.189 300 HA PRO 37 HA PRO 37 4.049 -9.043 2.139 301 1HB PRO 37 1HB PRO 37 4.186 -11.375 3.616 302 2HB PRO 37 2HB PRO 37 3.425 -9.861 4.174 303 1HG PRO 37 1HG PRO 37 2.065 -12.260 2.934 304 2HG PRO 37 2HG PRO 37 1.578 -11.349 4.395 305 1HD PRO 37 1HD PRO 37 0.420 -10.896 1.995 306 2HD PRO 37 2HD PRO 37 0.766 -9.527 3.080 307 H SER 38 H SER 38 2.584 -11.725 0.385 308 HA SER 38 HA SER 38 4.805 -13.365 -0.280 309 1HB SER 38 1HB SER 38 3.130 -13.750 -2.274 310 2HB SER 38 2HB SER 38 2.608 -14.190 -0.634 311 HG SER 38 HG SER 38 1.033 -12.894 -1.726 312 H LEU 39 H LEU 39 3.085 -10.773 -1.974 313 HA LEU 39 HA LEU 39 5.011 -10.470 -4.087 314 1HB LEU 39 1HB LEU 39 2.804 -8.682 -3.055 315 2HB LEU 39 2HB LEU 39 3.718 -8.340 -4.536 316 HG LEU 39 HG LEU 39 2.004 -10.819 -4.051 317 1HD1 LEU 39 3HD1 LEU 39 0.688 -8.708 -4.338 318 2HD1 LEU 39 1HD1 LEU 39 1.536 -8.409 -5.867 319 3HD1 LEU 39 2HD1 LEU 39 0.475 -9.824 -5.695 320 1HD2 LEU 39 3HD2 LEU 39 3.546 -9.897 -6.517 321 2HD2 LEU 39 1HD2 LEU 39 3.773 -11.415 -5.618 322 3HD2 LEU 39 2HD2 LEU 39 2.293 -11.152 -6.536 323 H LEU 40 H LEU 40 4.547 -8.782 -1.003 324 HA LEU 40 HA LEU 40 6.400 -6.715 -1.388 325 1HB LEU 40 1HB LEU 40 4.891 -6.971 0.574 326 2HB LEU 40 2HB LEU 40 5.915 -8.258 1.189 327 HG LEU 40 HG LEU 40 6.108 -5.941 2.211 328 1HD1 LEU 40 3HD1 LEU 40 7.697 -7.786 2.659 329 2HD1 LEU 40 1HD1 LEU 40 8.736 -7.194 1.345 330 3HD1 LEU 40 2HD1 LEU 40 8.424 -6.175 2.753 331 1HD2 LEU 40 1HD2 LEU 40 6.280 -4.645 0.086 332 2HD2 LEU 40 2HD2 LEU 40 7.583 -4.316 1.238 333 3HD2 LEU 40 3HD2 LEU 40 7.895 -5.337 -0.174 334 H LYS 41 H LYS 41 6.997 -10.010 -0.171 335 HA LYS 41 HA LYS 41 9.888 -9.731 -0.154 336 1HB LYS 41 1HB LYS 41 8.010 -12.121 -0.096 337 2HB LYS 41 2HB LYS 41 9.767 -12.224 0.076 338 1HG LYS 41 1HG LYS 41 9.678 -10.733 2.051 339 2HG LYS 41 2HG LYS 41 7.918 -10.650 1.934 340 1HD LYS 41 1HD LYS 41 9.523 -13.216 2.367 341 2HD LYS 41 2HD LYS 41 8.754 -12.263 3.647 342 1HE LYS 41 1HE LYS 41 6.527 -12.610 2.550 343 2HE LYS 41 2HE LYS 41 7.300 -13.667 1.354 344 1HZ LYS 41 1HZ LYS 41 7.256 -14.117 4.250 345 2HZ LYS 41 2HZ LYS 41 6.346 -14.906 3.126 346 3HZ LYS 41 3HZ LYS 41 7.983 -15.090 3.135 347 H GLY 42 H GLY 42 7.729 -11.663 -2.207 348 1HA GLY 42 1HA GLY 42 9.784 -12.092 -4.254 349 2HA GLY 42 2HA GLY 42 8.121 -12.699 -4.233 350 H GLY 43 H GLY 43 9.866 -9.546 -4.420 351 1HA GLY 43 1HA GLY 43 8.412 -8.841 -6.891 352 2HA GLY 43 2HA GLY 43 8.097 -7.827 -5.467 353 H SER 44 H SER 44 9.139 -6.459 -7.505 354 HA SER 44 HA SER 44 12.004 -6.309 -7.602 355 1HB SER 44 1HB SER 44 11.087 -3.871 -8.375 356 2HB SER 44 2HB SER 44 11.040 -5.300 -9.427 357 HG SER 44 HG SER 44 9.004 -4.208 -9.289 358 H THR 45 H THR 45 13.212 -4.369 -6.721 359 HA THR 45 HA THR 45 12.763 -4.020 -3.917 360 HB THR 45 HB THR 45 14.458 -2.117 -4.338 361 HG1 THR 45 HG1 THR 45 15.449 -2.331 -6.448 362 1HG2 THR 45 3HG2 THR 45 15.132 -4.395 -3.608 363 2HG2 THR 45 1HG2 THR 45 15.160 -4.936 -5.299 364 3HG2 THR 45 2HG2 THR 45 16.313 -3.709 -4.737 365 H LEU 46 H LEU 46 11.851 -2.257 -2.830 366 HA LEU 46 HA LEU 46 9.449 -1.414 -3.785 367 1HB LEU 46 1HB LEU 46 10.074 -1.343 -1.413 368 2HB LEU 46 2HB LEU 46 11.263 -0.073 -1.738 369 HG LEU 46 HG LEU 46 9.447 1.507 -2.332 370 1HD1 LEU 46 1HD1 LEU 46 7.593 -0.777 -1.490 371 2HD1 LEU 46 2HD1 LEU 46 7.091 0.904 -1.757 372 3HD1 LEU 46 3HD1 LEU 46 7.692 -0.058 -3.112 373 1HD2 LEU 46 3HD2 LEU 46 9.147 0.132 0.359 374 2HD2 LEU 46 1HD2 LEU 46 10.319 1.404 -0.045 375 3HD2 LEU 46 2HD2 LEU 46 8.586 1.773 -0.031 376 H ASP 47 H ASP 47 12.435 0.497 -3.894 377 HA ASP 47 HA ASP 47 11.301 2.790 -5.030 378 1HB ASP 47 1HB ASP 47 14.132 1.680 -5.300 379 2HB ASP 47 2HB ASP 47 13.632 3.317 -5.727 380 H GLU 48 H GLU 48 12.808 0.021 -6.629 381 HA GLU 48 HA GLU 48 12.456 0.931 -9.308 382 1HB GLU 48 1HB GLU 48 13.972 -0.918 -8.637 383 2HB GLU 48 2HB GLU 48 12.580 -1.904 -8.172 384 1HG GLU 48 1HG GLU 48 11.800 -1.901 -10.542 385 2HG GLU 48 2HG GLU 48 13.190 -0.895 -10.985 386 H LEU 49 H LEU 49 10.429 -1.054 -7.168 387 HA LEU 49 HA LEU 49 8.349 -1.527 -9.014 388 1HB LEU 49 1HB LEU 49 8.591 -2.755 -6.888 389 2HB LEU 49 2HB LEU 49 8.259 -1.279 -5.982 390 HG LEU 49 HG LEU 49 5.962 -1.199 -6.878 391 1HD1 LEU 49 1HD1 LEU 49 6.684 -3.853 -8.207 392 2HD1 LEU 49 2HD1 LEU 49 5.044 -3.193 -8.060 393 3HD1 LEU 49 3HD1 LEU 49 6.240 -2.350 -9.047 394 1HD2 LEU 49 1HD2 LEU 49 6.461 -2.354 -4.756 395 2HD2 LEU 49 2HD2 LEU 49 5.112 -3.128 -5.610 396 3HD2 LEU 49 3HD2 LEU 49 6.725 -3.874 -5.636 397 H PHE 50 H PHE 50 8.738 1.110 -6.638 398 HA PHE 50 HA PHE 50 6.328 2.471 -7.161 399 1HB PHE 50 1HB PHE 50 7.955 2.832 -5.279 400 2HB PHE 50 2HB PHE 50 9.076 3.570 -6.410 401 HD1 PHE 50 HD1 PHE 50 5.723 3.909 -4.849 402 HD2 PHE 50 HD2 PHE 50 8.844 5.915 -7.032 403 HE1 PHE 50 HE1 PHE 50 4.933 6.066 -3.968 404 HE2 PHE 50 HE2 PHE 50 8.114 8.083 -6.074 405 HZ PHE 50 HZ PHE 50 6.198 8.167 -4.495 406 H GLU 51 H GLU 51 9.584 2.874 -8.646 407 HA GLU 51 HA GLU 51 8.814 4.949 -10.424 408 1HB GLU 51 1HB GLU 51 10.990 2.817 -10.593 409 2HB GLU 51 2HB GLU 51 10.881 4.184 -11.709 410 1HG GLU 51 1HG GLU 51 11.321 5.783 -10.002 411 2HG GLU 51 2HG GLU 51 11.003 4.642 -8.698 412 H GLU 52 H GLU 52 8.881 1.423 -10.861 413 HA GLU 52 HA GLU 52 8.006 1.450 -13.584 414 1HB GLU 52 1HB GLU 52 7.867 -0.680 -11.414 415 2HB GLU 52 2HB GLU 52 7.353 -0.969 -13.080 416 1HG GLU 52 1HG GLU 52 10.165 -0.031 -12.342 417 2HG GLU 52 2HG GLU 52 9.704 -1.719 -12.593 418 H LEU 53 H LEU 53 6.164 1.444 -10.538 419 HA LEU 53 HA LEU 53 3.621 1.116 -11.895 420 1HB LEU 53 1HB LEU 53 4.418 2.088 -9.124 421 2HB LEU 53 2HB LEU 53 2.752 1.919 -9.667 422 HG LEU 53 HG LEU 53 4.744 -0.378 -9.554 423 1HD1 LEU 53 3HD1 LEU 53 4.164 0.520 -7.317 424 2HD1 LEU 53 1HD1 LEU 53 2.438 0.364 -7.705 425 3HD1 LEU 53 2HD1 LEU 53 3.460 -1.086 -7.569 426 1HD2 LEU 53 3HD2 LEU 53 1.771 -0.290 -10.182 427 2HD2 LEU 53 1HD2 LEU 53 3.081 -0.885 -11.225 428 3HD2 LEU 53 2HD2 LEU 53 2.665 -1.773 -9.769 429 H ASP 54 H ASP 54 5.445 3.928 -10.698 430 HA ASP 54 HA ASP 54 3.219 5.678 -11.196 431 1HB ASP 54 1HB ASP 54 4.882 5.984 -9.372 432 2HB ASP 54 2HB ASP 54 6.091 6.381 -10.578 433 H LYS 55 H LYS 55 3.262 4.716 -13.589 434 HA LYS 55 HA LYS 55 5.157 5.975 -15.387 435 1HB LYS 55 1HB LYS 55 2.597 4.607 -16.082 436 2HB LYS 55 2HB LYS 55 3.910 5.128 -17.156 437 1HG LYS 55 1HG LYS 55 4.045 3.017 -14.955 438 2HG LYS 55 2HG LYS 55 4.094 2.713 -16.689 439 1HD LYS 55 1HD LYS 55 6.250 4.039 -14.983 440 2HD LYS 55 2HD LYS 55 6.293 2.453 -15.735 441 1HE LYS 55 1HE LYS 55 6.236 3.469 -17.996 442 2HE LYS 55 2HE LYS 55 6.254 5.089 -17.272 443 1HZ LYS 55 3HZ LYS 55 8.341 4.551 -16.258 444 2HZ LYS 55 1HZ LYS 55 8.340 3.055 -16.946 445 3HZ LYS 55 2HZ LYS 55 8.428 4.399 -17.897 446 H ASN 56 H ASN 56 4.913 7.919 -14.628 447 HA ASN 56 HA ASN 56 3.669 9.813 -16.323 448 1HB ASN 56 1HB ASN 56 2.087 10.943 -15.074 449 2HB ASN 56 2HB ASN 56 1.680 9.275 -14.698 450 1HD2 ASN 56 1HD2 ASN 56 2.496 9.669 -11.227 451 2HD2 ASN 56 2HD2 ASN 56 2.070 8.531 -12.506 452 H GLY 57 H GLY 57 5.233 9.145 -13.161 453 1HA GLY 57 1HA GLY 57 7.396 9.710 -12.701 454 2HA GLY 57 2HA GLY 57 7.418 10.929 -13.970 455 H ASP 58 H ASP 58 4.669 11.343 -11.796 456 HA ASP 58 HA ASP 58 5.896 13.628 -10.538 457 1HB ASP 58 1HB ASP 58 3.875 13.914 -9.456 458 2HB ASP 58 2HB ASP 58 3.378 13.208 -10.981 459 H GLY 59 H GLY 59 5.321 10.239 -9.661 460 1HA GLY 59 1HA GLY 59 7.167 9.236 -8.338 461 2HA GLY 59 2HA GLY 59 6.869 10.490 -7.120 462 H GLU 60 H GLU 60 4.255 10.714 -6.816 463 HA GLU 60 HA GLU 60 3.858 8.207 -5.332 464 1HB GLU 60 1HB GLU 60 2.241 10.776 -5.222 465 2HB GLU 60 2HB GLU 60 2.113 9.368 -4.139 466 1HG GLU 60 1HG GLU 60 4.584 9.703 -3.601 467 2HG GLU 60 2HG GLU 60 4.468 11.266 -4.426 468 H VAL 61 H VAL 61 2.328 6.712 -5.630 469 HA VAL 61 HA VAL 61 1.542 6.505 -8.427 470 HB VAL 61 HB VAL 61 1.118 4.442 -6.240 471 1HG1 VAL 61 3HG1 VAL 61 0.120 4.097 -8.572 472 2HG1 VAL 61 1HG1 VAL 61 1.803 4.121 -9.177 473 3HG1 VAL 61 2HG1 VAL 61 1.271 2.859 -8.047 474 1HG2 VAL 61 3HG2 VAL 61 3.641 5.099 -7.813 475 2HG2 VAL 61 1HG2 VAL 61 3.470 5.019 -6.053 476 3HG2 VAL 61 2HG2 VAL 61 3.381 3.542 -7.022 477 H SER 62 H SER 62 -0.429 7.189 -9.164 478 HA SER 62 HA SER 62 -2.649 7.669 -7.358 479 1HB SER 62 1HB SER 62 -3.864 8.324 -9.371 480 2HB SER 62 2HB SER 62 -2.281 9.110 -9.290 481 HG SER 62 HG SER 62 -1.531 7.782 -10.859 482 H PHE 63 H PHE 63 -4.734 6.584 -7.414 483 HA PHE 63 HA PHE 63 -4.683 3.807 -7.542 484 1HB PHE 63 1HB PHE 63 -6.474 5.051 -6.441 485 2HB PHE 63 2HB PHE 63 -7.112 5.557 -8.009 486 HD1 PHE 63 HD1 PHE 63 -6.294 2.509 -5.972 487 HD2 PHE 63 HD2 PHE 63 -8.680 4.113 -9.181 488 HE1 PHE 63 HE1 PHE 63 -7.623 0.429 -6.020 489 HE2 PHE 63 HE2 PHE 63 -10.011 2.016 -9.217 490 HZ PHE 63 HZ PHE 63 -9.467 0.161 -7.639 491 H GLU 64 H GLU 64 -5.176 6.014 -10.256 492 HA GLU 64 HA GLU 64 -6.186 4.015 -12.050 493 1HB GLU 64 1HB GLU 64 -4.686 6.634 -12.604 494 2HB GLU 64 2HB GLU 64 -5.514 5.651 -13.823 495 1HG GLU 64 1HG GLU 64 -7.668 5.968 -12.652 496 2HG GLU 64 2HG GLU 64 -6.873 6.941 -11.405 497 H GLU 65 H GLU 65 -2.829 5.441 -11.811 498 HA GLU 65 HA GLU 65 -1.839 3.414 -13.604 499 1HB GLU 65 1HB GLU 65 0.345 4.295 -13.212 500 2HB GLU 65 2HB GLU 65 -0.826 5.604 -13.412 501 1HG GLU 65 1HG GLU 65 -0.926 5.509 -10.756 502 2HG GLU 65 2HG GLU 65 0.611 4.670 -10.936 503 H PHE 66 H PHE 66 -2.224 3.498 -10.090 504 HA PHE 66 HA PHE 66 -0.818 1.181 -9.311 505 1HB PHE 66 1HB PHE 66 -1.880 2.514 -7.665 506 2HB PHE 66 2HB PHE 66 -3.389 2.447 -8.549 507 HD1 PHE 66 HD1 PHE 66 -1.183 0.337 -6.391 508 HD2 PHE 66 HD2 PHE 66 -5.050 0.921 -8.156 509 HE1 PHE 66 HE1 PHE 66 -2.148 -1.409 -4.888 510 HE2 PHE 66 HE2 PHE 66 -5.960 -0.998 -6.881 511 HZ PHE 66 HZ PHE 66 -4.516 -2.080 -5.124 512 H GLN 67 H GLN 67 -3.734 1.397 -11.403 513 HA GLN 67 HA GLN 67 -4.451 -1.337 -11.198 514 1HB GLN 67 1HB GLN 67 -4.639 0.384 -13.690 515 2HB GLN 67 2HB GLN 67 -5.419 -1.174 -13.414 516 1HG GLN 67 1HG GLN 67 -6.079 1.460 -12.079 517 2HG GLN 67 2HG GLN 67 -7.106 0.415 -13.044 518 1HE2 GLN 67 1HE2 GLN 67 -6.964 0.025 -9.026 519 2HE2 GLN 67 2HE2 GLN 67 -6.292 1.365 -9.925 520 H VAL 68 H VAL 68 -1.551 0.010 -12.652 521 HA VAL 68 HA VAL 68 -0.826 -2.312 -14.191 522 HB VAL 68 HB VAL 68 0.895 -0.234 -12.778 523 1HG1 VAL 68 1HG1 VAL 68 1.635 -2.299 -14.892 524 2HG1 VAL 68 2HG1 VAL 68 2.670 -0.957 -14.363 525 3HG1 VAL 68 3HG1 VAL 68 2.245 -2.236 -13.223 526 1HG2 VAL 68 1HG2 VAL 68 -0.606 0.700 -14.569 527 2HG2 VAL 68 2HG2 VAL 68 1.099 0.758 -15.027 528 3HG2 VAL 68 3HG2 VAL 68 0.042 -0.500 -15.702 529 H LEU 69 H LEU 69 -0.706 -1.515 -10.724 530 HA LEU 69 HA LEU 69 0.951 -3.788 -9.989 531 1HB LEU 69 1HB LEU 69 0.397 -1.491 -8.720 532 2HB LEU 69 2HB LEU 69 -0.954 -2.411 -8.077 533 HG LEU 69 HG LEU 69 2.016 -3.068 -7.828 534 1HD1 LEU 69 3HD1 LEU 69 1.119 -1.182 -6.424 535 2HD1 LEU 69 1HD1 LEU 69 -0.048 -2.315 -5.717 536 3HD1 LEU 69 2HD1 LEU 69 1.694 -2.559 -5.469 537 1HD2 LEU 69 3HD2 LEU 69 -0.403 -4.610 -6.816 538 2HD2 LEU 69 1HD2 LEU 69 0.886 -5.204 -7.897 539 3HD2 LEU 69 2HD2 LEU 69 1.249 -4.843 -6.210 540 H VAL 70 H VAL 70 -2.547 -2.898 -9.948 541 HA VAL 70 HA VAL 70 -3.537 -5.377 -9.018 542 HB VAL 70 HB VAL 70 -4.885 -3.558 -11.068 543 1HG1 VAL 70 1HG1 VAL 70 -5.983 -5.652 -9.157 544 2HG1 VAL 70 2HG1 VAL 70 -6.976 -4.486 -10.059 545 3HG1 VAL 70 3HG1 VAL 70 -6.025 -5.693 -10.928 546 1HG2 VAL 70 3HG2 VAL 70 -4.838 -3.477 -8.020 547 2HG2 VAL 70 1HG2 VAL 70 -4.299 -2.209 -9.111 548 3HG2 VAL 70 2HG2 VAL 70 -6.018 -2.599 -9.012 549 H LYS 71 H LYS 71 -2.698 -4.403 -12.375 550 HA LYS 71 HA LYS 71 -3.352 -6.855 -13.607 551 1HB LYS 71 1HB LYS 71 -2.867 -5.077 -15.060 552 2HB LYS 71 2HB LYS 71 -1.300 -4.740 -14.313 553 1HG LYS 71 1HG LYS 71 -0.327 -6.760 -15.144 554 2HG LYS 71 2HG LYS 71 -1.906 -7.391 -15.662 555 1HD LYS 71 1HD LYS 71 -2.058 -5.727 -17.427 556 2HD LYS 71 2HD LYS 71 -0.624 -4.878 -16.823 557 1HE LYS 71 1HE LYS 71 -0.122 -6.311 -18.806 558 2HE LYS 71 2HE LYS 71 0.822 -6.764 -17.377 559 1HZ LYS 71 1HZ LYS 71 -1.626 -8.126 -18.259 560 2HZ LYS 71 2HZ LYS 71 -0.090 -8.647 -18.547 561 3HZ LYS 71 3HZ LYS 71 -0.653 -8.581 -17.004 562 H LYS 72 H LYS 72 -0.225 -5.853 -12.205 563 HA LYS 72 HA LYS 72 1.058 -8.349 -12.514 564 1HB LYS 72 1HB LYS 72 1.484 -6.051 -10.621 565 2HB LYS 72 2HB LYS 72 2.209 -7.605 -10.213 566 1HG LYS 72 1HG LYS 72 3.847 -6.393 -11.407 567 2HG LYS 72 2HG LYS 72 3.296 -7.715 -12.442 568 1HD LYS 72 1HD LYS 72 1.799 -6.047 -13.642 569 2HD LYS 72 2HD LYS 72 2.501 -4.775 -12.622 570 1HE LYS 72 1HE LYS 72 4.761 -5.311 -13.515 571 2HE LYS 72 2HE LYS 72 4.053 -6.577 -14.539 572 1HZ LYS 72 3HZ LYS 72 2.764 -4.882 -15.625 573 2HZ LYS 72 1HZ LYS 72 3.439 -3.711 -14.682 574 3HZ LYS 72 2HZ LYS 72 4.376 -4.559 -15.739 575 H ILE 73 H ILE 73 -0.997 -7.346 -9.790 576 HA ILE 73 HA ILE 73 -0.817 -9.774 -8.293 577 HB ILE 73 HB ILE 73 -3.229 -7.928 -8.573 578 1HG1 ILE 73 1HG1 ILE 73 -1.048 -8.046 -6.442 579 2HG1 ILE 73 2HG1 ILE 73 -1.205 -6.805 -7.686 580 1HG2 ILE 73 3HG2 ILE 73 -3.858 -10.192 -7.724 581 2HG2 ILE 73 1HG2 ILE 73 -2.635 -10.030 -6.450 582 3HG2 ILE 73 2HG2 ILE 73 -4.051 -8.959 -6.502 583 1HD1 ILE 73 3HD1 ILE 73 -3.435 -6.172 -6.761 584 2HD1 ILE 73 1HD1 ILE 73 -3.143 -7.295 -5.414 585 3HD1 ILE 73 2HD1 ILE 73 -2.078 -5.912 -5.648 586 H SER 74 H SER 74 -2.981 -8.804 -10.913 587 HA SER 74 HA SER 74 -4.206 -11.458 -11.159 588 1HB SER 74 1HB SER 74 -4.458 -9.090 -13.043 589 2HB SER 74 2HB SER 74 -5.602 -10.416 -12.786 590 HG SER 74 HG SER 74 -4.910 -8.308 -10.997 591 H GLN 75 H GLN 75 -1.156 -10.970 -11.773 592 HA GLN 75 HA GLN 75 0.340 -10.976 -13.473 593 1HB GLN 75 1HB GLN 75 -1.230 -13.542 -13.664 594 2HB GLN 75 2HB GLN 75 0.316 -13.322 -14.519 595 1HG GLN 75 1HG GLN 75 -0.052 -13.095 -11.484 596 2HG GLN 75 2HG GLN 75 0.474 -14.547 -12.333 597 1HE2 GLN 75 1HE2 GLN 75 3.163 -11.533 -11.726 598 2HE2 GLN 75 2HE2 GLN 75 1.467 -11.274 -11.337 No H/Q in entry = 598 Start of MODEL 24 Raw file had 599 H/Q atoms Start of MODEL 24 1 1H LYS 1 1H LYS 1 -7.173 -11.143 -4.167 2 2H LYS 1 2H LYS 1 -5.886 -10.083 -4.384 3 3H LYS 1 3H LYS 1 -6.315 -10.578 -2.836 4 HA LYS 1 HA LYS 1 -8.396 -9.497 -2.996 5 1HB LYS 1 1HB LYS 1 -6.198 -7.593 -3.842 6 2HB LYS 1 2HB LYS 1 -7.593 -7.224 -2.828 7 1HG LYS 1 1HG LYS 1 -5.250 -9.025 -2.113 8 2HG LYS 1 2HG LYS 1 -5.482 -7.363 -1.559 9 1HD LYS 1 1HD LYS 1 -7.631 -8.139 -0.433 10 2HD LYS 1 2HD LYS 1 -7.170 -9.801 -0.852 11 1HE LYS 1 1HE LYS 1 -5.572 -7.842 0.869 12 2HE LYS 1 2HE LYS 1 -6.453 -9.261 1.450 13 1HZ LYS 1 1HZ LYS 1 -4.149 -9.310 -0.378 14 2HZ LYS 1 2HZ LYS 1 -4.093 -9.662 1.218 15 3HZ LYS 1 3HZ LYS 1 -4.952 -10.632 0.193 16 H SER 2 H SER 2 -10.002 -8.495 -4.284 17 HA SER 2 HA SER 2 -9.664 -8.645 -7.193 18 1HB SER 2 1HB SER 2 -12.118 -8.075 -7.109 19 2HB SER 2 2HB SER 2 -11.688 -9.514 -6.180 20 HG SER 2 HG SER 2 -13.023 -8.089 -4.972 21 HA PRO 3 HA PRO 3 -8.922 -4.304 -7.975 22 1HB PRO 3 1HB PRO 3 -11.642 -4.297 -9.313 23 2HB PRO 3 2HB PRO 3 -10.134 -3.496 -9.851 24 1HG PRO 3 1HG PRO 3 -10.820 -5.877 -10.935 25 2HG PRO 3 2HG PRO 3 -9.135 -5.631 -10.388 26 1HD PRO 3 1HD PRO 3 -11.361 -7.090 -8.980 27 2HD PRO 3 2HD PRO 3 -9.644 -7.549 -9.161 28 H GLU 4 H GLU 4 -12.305 -5.023 -7.002 29 HA GLU 4 HA GLU 4 -13.003 -2.576 -5.824 30 1HB GLU 4 1HB GLU 4 -13.899 -5.349 -5.013 31 2HB GLU 4 2HB GLU 4 -14.667 -3.803 -4.621 32 1HG GLU 4 1HG GLU 4 -15.832 -4.048 -6.503 33 2HG GLU 4 2HG GLU 4 -14.404 -3.555 -7.377 34 H GLU 5 H GLU 5 -11.452 -5.434 -4.371 35 HA GLU 5 HA GLU 5 -11.303 -4.329 -1.690 36 1HB GLU 5 1HB GLU 5 -9.779 -6.570 -3.081 37 2HB GLU 5 2HB GLU 5 -9.579 -6.159 -1.371 38 1HG GLU 5 1HG GLU 5 -12.228 -7.002 -2.642 39 2HG GLU 5 2HG GLU 5 -11.140 -8.078 -1.758 40 H LEU 6 H LEU 6 -9.148 -4.494 -4.498 41 HA LEU 6 HA LEU 6 -6.927 -3.270 -3.269 42 1HB LEU 6 1HB LEU 6 -7.776 -3.589 -6.151 43 2HB LEU 6 2HB LEU 6 -6.338 -2.730 -5.719 44 HG LEU 6 HG LEU 6 -6.914 -5.449 -4.480 45 1HD1 LEU 6 3HD1 LEU 6 -7.046 -5.834 -6.924 46 2HD1 LEU 6 1HD1 LEU 6 -5.390 -5.190 -7.077 47 3HD1 LEU 6 2HD1 LEU 6 -5.684 -6.643 -6.126 48 1HD2 LEU 6 1HD2 LEU 6 -4.964 -4.114 -3.575 49 2HD2 LEU 6 2HD2 LEU 6 -4.447 -5.599 -4.372 50 3HD2 LEU 6 3HD2 LEU 6 -4.286 -4.059 -5.217 51 H LYS 7 H LYS 7 -9.689 -1.769 -4.930 52 HA LYS 7 HA LYS 7 -8.761 0.913 -4.584 53 1HB LYS 7 1HB LYS 7 -10.800 0.206 -5.919 54 2HB LYS 7 2HB LYS 7 -11.637 -0.113 -4.414 55 1HG LYS 7 1HG LYS 7 -12.378 1.991 -5.198 56 2HG LYS 7 2HG LYS 7 -11.420 2.275 -3.745 57 1HD LYS 7 1HD LYS 7 -9.456 2.901 -5.226 58 2HD LYS 7 2HD LYS 7 -10.505 2.681 -6.632 59 1HE LYS 7 1HE LYS 7 -10.890 4.702 -4.376 60 2HE LYS 7 2HE LYS 7 -10.285 5.046 -6.002 61 1HZ LYS 7 3HZ LYS 7 -12.398 4.322 -6.869 62 2HZ LYS 7 1HZ LYS 7 -12.966 4.053 -5.345 63 3HZ LYS 7 2HZ LYS 7 -12.577 5.580 -5.820 64 H GLY 8 H GLY 8 -10.717 -1.119 -2.444 65 1HA GLY 8 1HA GLY 8 -11.123 0.741 -0.335 66 2HA GLY 8 2HA GLY 8 -11.029 -1.020 -0.126 67 H ILE 9 H ILE 9 -8.585 -1.685 -0.732 68 HA ILE 9 HA ILE 9 -6.813 -1.044 1.381 69 HB ILE 9 HB ILE 9 -6.484 -2.261 -1.372 70 1HG1 ILE 9 1HG1 ILE 9 -6.542 -3.474 1.432 71 2HG1 ILE 9 2HG1 ILE 9 -7.907 -3.453 0.315 72 1HG2 ILE 9 3HG2 ILE 9 -4.303 -1.325 -0.685 73 2HG2 ILE 9 1HG2 ILE 9 -4.417 -2.243 0.828 74 3HG2 ILE 9 2HG2 ILE 9 -4.281 -3.077 -0.734 75 1HD1 ILE 9 3HD1 ILE 9 -6.535 -4.782 -1.321 76 2HD1 ILE 9 1HD1 ILE 9 -5.283 -4.937 -0.064 77 3HD1 ILE 9 2HD1 ILE 9 -6.893 -5.616 0.206 78 H PHE 10 H PHE 10 -6.784 0.126 -2.050 79 HA PHE 10 HA PHE 10 -4.528 1.737 -1.869 80 1HB PHE 10 1HB PHE 10 -5.778 1.253 -3.976 81 2HB PHE 10 2HB PHE 10 -7.092 2.248 -3.421 82 HD1 PHE 10 HD1 PHE 10 -6.885 4.725 -3.251 83 HD2 PHE 10 HD2 PHE 10 -3.707 2.265 -4.835 84 HE1 PHE 10 HE1 PHE 10 -5.761 6.724 -4.106 85 HE2 PHE 10 HE2 PHE 10 -2.560 4.310 -5.670 86 HZ PHE 10 HZ PHE 10 -3.555 6.541 -5.255 87 H GLU 11 H GLU 11 -7.944 2.573 -1.161 88 HA GLU 11 HA GLU 11 -7.419 5.304 -0.430 89 1HB GLU 11 1HB GLU 11 -9.708 3.418 0.267 90 2HB GLU 11 2HB GLU 11 -9.685 5.147 0.653 91 1HG GLU 11 1HG GLU 11 -9.520 5.744 -1.708 92 2HG GLU 11 2HG GLU 11 -9.399 4.047 -2.183 93 H LYS 12 H LYS 12 -7.931 2.371 1.546 94 HA LYS 12 HA LYS 12 -7.636 3.348 4.117 95 1HB LYS 12 1HB LYS 12 -8.284 1.116 3.744 96 2HB LYS 12 2HB LYS 12 -6.817 0.720 2.827 97 1HG LYS 12 1HG LYS 12 -5.500 0.410 4.621 98 2HG LYS 12 2HG LYS 12 -6.373 1.570 5.643 99 1HD LYS 12 1HD LYS 12 -6.710 -0.723 6.459 100 2HD LYS 12 2HD LYS 12 -8.215 0.075 6.003 101 1HE LYS 12 1HE LYS 12 -8.227 -2.260 5.284 102 2HE LYS 12 2HE LYS 12 -8.286 -1.199 3.874 103 1HZ LYS 12 1HZ LYS 12 -5.881 -2.522 4.922 104 2HZ LYS 12 2HZ LYS 12 -6.746 -2.995 3.601 105 3HZ LYS 12 3HZ LYS 12 -5.950 -1.549 3.591 106 H TYR 13 H TYR 13 -4.967 2.179 2.000 107 HA TYR 13 HA TYR 13 -2.995 2.964 4.018 108 1HB TYR 13 1HB TYR 13 -2.785 1.800 1.246 109 2HB TYR 13 2HB TYR 13 -1.382 2.284 2.201 110 HD1 TYR 13 HD1 TYR 13 -1.057 1.352 4.515 111 HD2 TYR 13 HD2 TYR 13 -4.069 -0.251 1.927 112 HE1 TYR 13 HE1 TYR 13 -1.226 -0.706 5.932 113 HE2 TYR 13 HE2 TYR 13 -4.011 -2.378 3.098 114 HH TYR 13 HH TYR 13 -3.427 -3.404 5.108 115 H ALA 14 H ALA 14 -3.952 4.208 0.825 116 HA ALA 14 HA ALA 14 -2.130 6.319 0.519 117 1HB ALA 14 3HB ALA 14 -3.698 5.632 -1.231 118 2HB ALA 14 1HB ALA 14 -5.062 6.256 -0.269 119 3HB ALA 14 2HB ALA 14 -3.834 7.350 -0.911 120 H ALA 15 H ALA 15 -5.254 6.397 2.188 121 HA ALA 15 HA ALA 15 -5.260 9.060 3.034 122 1HB ALA 15 3HB ALA 15 -7.176 7.520 3.318 123 2HB ALA 15 1HB ALA 15 -6.258 6.605 4.541 124 3HB ALA 15 2HB ALA 15 -6.741 8.282 4.863 125 H LYS 16 H LYS 16 -3.420 6.345 4.386 126 HA LYS 16 HA LYS 16 -2.743 7.758 6.839 127 1HB LYS 16 1HB LYS 16 -3.103 5.292 6.643 128 2HB LYS 16 2HB LYS 16 -1.658 5.199 5.627 129 1HG LYS 16 1HG LYS 16 -0.252 5.950 7.496 130 2HG LYS 16 2HG LYS 16 -1.689 6.193 8.503 131 1HD LYS 16 1HD LYS 16 -0.563 4.077 9.045 132 2HD LYS 16 2HD LYS 16 -2.197 3.784 8.426 133 1HE LYS 16 1HE LYS 16 -1.324 3.113 6.248 134 2HE LYS 16 2HE LYS 16 0.319 3.605 6.704 135 1HZ LYS 16 1HZ LYS 16 -1.246 1.451 7.944 136 2HZ LYS 16 2HZ LYS 16 -0.006 1.258 6.877 137 3HZ LYS 16 3HZ LYS 16 0.285 1.890 8.368 138 H GLU 17 H GLU 17 -2.061 9.600 5.402 139 HA GLU 17 HA GLU 17 -0.070 10.916 5.694 140 1HB GLU 17 1HB GLU 17 1.555 9.049 5.842 141 2HB GLU 17 2HB GLU 17 1.330 8.769 4.106 142 1HG GLU 17 1HG GLU 17 2.265 11.028 3.626 143 2HG GLU 17 2HG GLU 17 2.607 11.200 5.356 144 H GLY 18 H GLY 18 -0.747 9.099 2.696 145 1HA GLY 18 1HA GLY 18 0.063 11.436 1.073 146 2HA GLY 18 2HA GLY 18 -0.285 9.803 0.515 147 H ASP 19 H ASP 19 -2.690 11.264 2.598 148 HA ASP 19 HA ASP 19 -4.864 11.394 2.346 149 1HB ASP 19 1HB ASP 19 -4.582 13.496 1.648 150 2HB ASP 19 2HB ASP 19 -3.647 13.079 0.241 151 HA PRO 20 HA PRO 20 -6.639 7.933 0.588 152 1HB PRO 20 1HB PRO 20 -8.999 8.994 -0.663 153 2HB PRO 20 2HB PRO 20 -8.830 8.272 0.968 154 1HG PRO 20 1HG PRO 20 -8.721 11.164 0.110 155 2HG PRO 20 2HG PRO 20 -9.421 10.484 1.611 156 1HD PRO 20 1HD PRO 20 -7.063 11.698 1.718 157 2HD PRO 20 2HD PRO 20 -7.246 10.138 2.539 158 H ASN 21 H ASN 21 -5.965 10.519 -1.716 159 HA ASN 21 HA ASN 21 -6.845 8.941 -4.046 160 1HB ASN 21 1HB ASN 21 -5.723 11.752 -3.723 161 2HB ASN 21 2HB ASN 21 -6.252 11.021 -5.232 162 1HD2 ASN 21 1HD2 ASN 21 -8.990 12.542 -2.630 163 2HD2 ASN 21 2HD2 ASN 21 -7.285 12.444 -2.198 164 H GLN 22 H GLN 22 -3.954 9.169 -2.135 165 HA GLN 22 HA GLN 22 -2.316 8.377 -4.496 166 1HB GLN 22 1HB GLN 22 -2.607 11.005 -3.947 167 2HB GLN 22 2HB GLN 22 -1.474 10.620 -2.693 168 1HG GLN 22 1HG GLN 22 0.014 11.131 -4.354 169 2HG GLN 22 2HG GLN 22 -0.201 9.431 -4.816 170 1HE2 GLN 22 1HE2 GLN 22 -2.744 10.917 -7.347 171 2HE2 GLN 22 2HE2 GLN 22 -3.029 9.954 -5.908 172 H LEU 23 H LEU 23 -0.866 6.759 -3.986 173 HA LEU 23 HA LEU 23 -0.260 6.221 -1.133 174 1HB LEU 23 1HB LEU 23 0.404 4.733 -3.679 175 2HB LEU 23 2HB LEU 23 0.838 4.261 -2.059 176 HG LEU 23 HG LEU 23 -2.067 4.581 -2.868 177 1HD1 LEU 23 1HD1 LEU 23 -0.289 2.109 -2.935 178 2HD1 LEU 23 2HD1 LEU 23 -2.036 2.105 -3.199 179 3HD1 LEU 23 3HD1 LEU 23 -0.962 2.922 -4.363 180 1HD2 LEU 23 1HD2 LEU 23 -1.493 4.448 -0.426 181 2HD2 LEU 23 2HD2 LEU 23 -2.474 3.085 -0.982 182 3HD2 LEU 23 3HD2 LEU 23 -0.731 2.875 -0.710 183 H SER 24 H SER 24 1.651 7.118 -0.278 184 HA SER 24 HA SER 24 3.861 7.841 -2.074 185 1HB SER 24 1HB SER 24 4.929 8.712 -0.229 186 2HB SER 24 2HB SER 24 3.252 8.927 0.256 187 HG SER 24 HG SER 24 4.148 7.938 1.967 188 H LYS 25 H LYS 25 6.097 6.821 -1.238 189 HA LYS 25 HA LYS 25 6.119 4.062 -1.833 190 1HB LYS 25 1HB LYS 25 8.086 5.780 -0.214 191 2HB LYS 25 2HB LYS 25 8.408 4.112 -0.707 192 1HG LYS 25 1HG LYS 25 8.220 4.738 -3.072 193 2HG LYS 25 2HG LYS 25 7.927 6.430 -2.616 194 1HD LYS 25 1HD LYS 25 10.145 6.504 -1.497 195 2HD LYS 25 2HD LYS 25 10.437 4.814 -1.963 196 1HE LYS 25 1HE LYS 25 10.268 5.436 -4.360 197 2HE LYS 25 2HE LYS 25 9.947 7.121 -3.907 198 1HZ LYS 25 3HZ LYS 25 12.110 7.175 -2.875 199 2HZ LYS 25 1HZ LYS 25 12.413 5.622 -3.345 200 3HZ LYS 25 2HZ LYS 25 12.216 6.802 -4.476 201 H GLU 26 H GLU 26 5.708 5.812 1.250 202 HA GLU 26 HA GLU 26 6.300 3.466 2.857 203 1HB GLU 26 1HB GLU 26 4.830 6.036 3.689 204 2HB GLU 26 2HB GLU 26 5.631 4.860 4.741 205 1HG GLU 26 1HG GLU 26 7.788 5.411 3.523 206 2HG GLU 26 2HG GLU 26 6.944 6.733 2.706 207 H GLU 27 H GLU 27 3.384 5.175 1.871 208 HA GLU 27 HA GLU 27 1.509 3.383 3.048 209 1HB GLU 27 1HB GLU 27 1.245 4.955 0.449 210 2HB GLU 27 2HB GLU 27 -0.032 4.020 1.242 211 1HG GLU 27 1HG GLU 27 -0.434 6.197 1.977 212 2HG GLU 27 2HG GLU 27 0.333 5.398 3.350 213 H LEU 28 H LEU 28 3.030 3.220 -0.290 214 HA LEU 28 HA LEU 28 1.959 0.654 -0.825 215 1HB LEU 28 1HB LEU 28 4.411 2.145 -1.774 216 2HB LEU 28 2HB LEU 28 4.182 0.454 -2.262 217 HG LEU 28 HG LEU 28 1.893 2.352 -2.379 218 1HD1 LEU 28 3HD1 LEU 28 3.602 3.560 -3.549 219 2HD1 LEU 28 1HD1 LEU 28 3.989 2.122 -4.547 220 3HD1 LEU 28 2HD1 LEU 28 2.403 2.929 -4.694 221 1HD2 LEU 28 1HD2 LEU 28 1.484 -0.097 -2.859 222 2HD2 LEU 28 2HD2 LEU 28 1.209 0.868 -4.317 223 3HD2 LEU 28 3HD2 LEU 28 2.718 -0.039 -4.129 224 H LYS 29 H LYS 29 4.876 1.448 1.011 225 HA LYS 29 HA LYS 29 5.766 -1.271 1.094 226 1HB LYS 29 1HB LYS 29 7.013 0.879 1.694 227 2HB LYS 29 2HB LYS 29 6.117 0.955 3.188 228 1HG LYS 29 1HG LYS 29 7.137 -1.168 3.938 229 2HG LYS 29 2HG LYS 29 7.993 -1.318 2.389 230 1HD LYS 29 1HD LYS 29 9.118 0.883 2.830 231 2HD LYS 29 2HD LYS 29 8.330 0.961 4.410 232 1HE LYS 29 1HE LYS 29 10.238 -1.259 3.515 233 2HE LYS 29 2HE LYS 29 10.706 0.153 4.476 234 1HZ LYS 29 3HZ LYS 29 9.166 -0.553 6.163 235 2HZ LYS 29 1HZ LYS 29 8.768 -1.895 5.288 236 3HZ LYS 29 2HZ LYS 29 10.299 -1.710 5.861 237 H LEU 30 H LEU 30 3.896 0.609 3.444 238 HA LEU 30 HA LEU 30 3.369 -1.612 5.177 239 1HB LEU 30 1HB LEU 30 2.092 1.103 4.754 240 2HB LEU 30 2HB LEU 30 1.235 -0.084 5.729 241 HG LEU 30 HG LEU 30 2.597 1.512 7.043 242 1HD1 LEU 30 3HD1 LEU 30 1.904 -0.691 7.943 243 2HD1 LEU 30 1HD1 LEU 30 3.443 -1.394 7.402 244 3HD1 LEU 30 2HD1 LEU 30 3.433 -0.118 8.629 245 1HD2 LEU 30 1HD2 LEU 30 4.579 1.704 5.584 246 2HD2 LEU 30 2HD2 LEU 30 5.009 1.250 7.237 247 3HD2 LEU 30 3HD2 LEU 30 5.028 0.024 5.959 248 H LEU 31 H LEU 31 1.476 -0.334 2.480 249 HA LEU 31 HA LEU 31 -0.698 -2.114 2.539 250 1HB LEU 31 1HB LEU 31 -0.457 -0.143 1.105 251 2HB LEU 31 2HB LEU 31 0.768 -0.947 0.143 252 HG LEU 31 HG LEU 31 -2.084 -1.930 0.398 253 1HD1 LEU 31 1HD1 LEU 31 -0.780 -0.095 -1.667 254 2HD1 LEU 31 2HD1 LEU 31 -2.390 -0.804 -1.854 255 3HD1 LEU 31 3HD1 LEU 31 -2.079 0.339 -0.540 256 1HD2 LEU 31 3HD2 LEU 31 0.145 -2.574 -1.591 257 2HD2 LEU 31 1HD2 LEU 31 -0.697 -3.714 -0.515 258 3HD2 LEU 31 2HD2 LEU 31 -1.560 -2.983 -1.860 259 H LEU 32 H LEU 32 2.390 -2.448 0.817 260 HA LEU 32 HA LEU 32 1.930 -5.051 -0.229 261 1HB LEU 32 1HB LEU 32 4.506 -3.611 0.523 262 2HB LEU 32 2HB LEU 32 4.490 -5.190 -0.265 263 HG LEU 32 HG LEU 32 3.015 -2.862 -1.530 264 1HD1 LEU 32 3HD1 LEU 32 5.373 -2.132 -1.124 265 2HD1 LEU 32 1HD1 LEU 32 5.950 -3.596 -1.942 266 3HD1 LEU 32 2HD1 LEU 32 5.024 -2.371 -2.840 267 1HD2 LEU 32 3HD2 LEU 32 4.338 -5.363 -2.642 268 2HD2 LEU 32 1HD2 LEU 32 2.589 -5.136 -2.407 269 3HD2 LEU 32 2HD2 LEU 32 3.462 -4.131 -3.577 270 H GLN 33 H GLN 33 3.753 -4.116 2.737 271 HA GLN 33 HA GLN 33 4.333 -6.712 3.649 272 1HB GLN 33 1HB GLN 33 3.802 -4.105 5.107 273 2HB GLN 33 2HB GLN 33 4.329 -5.579 5.948 274 1HG GLN 33 1HG GLN 33 6.386 -5.683 4.712 275 2HG GLN 33 2HG GLN 33 5.894 -4.383 3.623 276 1HE2 GLN 33 1HE2 GLN 33 6.293 -2.670 7.267 277 2HE2 GLN 33 2HE2 GLN 33 4.940 -3.719 6.895 278 H THR 34 H THR 34 1.522 -4.703 4.474 279 HA THR 34 HA THR 34 0.519 -6.691 6.296 280 HB THR 34 HB THR 34 -0.984 -4.332 5.129 281 HG1 THR 34 HG1 THR 34 0.866 -3.515 5.932 282 1HG2 THR 34 1HG2 THR 34 -1.177 -5.826 7.793 283 2HG2 THR 34 2HG2 THR 34 -2.081 -4.358 7.385 284 3HG2 THR 34 3HG2 THR 34 -2.386 -5.858 6.489 285 H GLU 35 H GLU 35 -0.473 -5.698 2.956 286 HA GLU 35 HA GLU 35 -2.730 -7.545 3.027 287 1HB GLU 35 1HB GLU 35 -1.684 -5.663 0.867 288 2HB GLU 35 2HB GLU 35 -3.205 -6.535 0.837 289 1HG GLU 35 1HG GLU 35 -2.339 -4.351 2.798 290 2HG GLU 35 2HG GLU 35 -3.494 -4.196 1.478 291 H PHE 36 H PHE 36 0.511 -7.384 1.619 292 HA PHE 36 HA PHE 36 0.118 -10.069 0.387 293 1HB PHE 36 1HB PHE 36 1.248 -7.616 -1.007 294 2HB PHE 36 2HB PHE 36 1.156 -9.248 -1.638 295 HD1 PHE 36 HD1 PHE 36 -1.174 -10.383 -1.820 296 HD2 PHE 36 HD2 PHE 36 -0.564 -6.121 -1.541 297 HE1 PHE 36 HE1 PHE 36 -3.176 -9.998 -3.245 298 HE2 PHE 36 HE2 PHE 36 -2.567 -5.758 -3.001 299 HZ PHE 36 HZ PHE 36 -3.845 -7.703 -3.836 300 HA PRO 37 HA PRO 37 4.183 -9.425 2.673 301 1HB PRO 37 1HB PRO 37 4.016 -11.633 4.319 302 2HB PRO 37 2HB PRO 37 3.354 -10.032 4.735 303 1HG PRO 37 1HG PRO 37 1.876 -12.395 3.558 304 2HG PRO 37 2HG PRO 37 1.381 -11.361 4.932 305 1HD PRO 37 1HD PRO 37 0.405 -10.976 2.436 306 2HD PRO 37 2HD PRO 37 0.780 -9.576 3.469 307 H SER 38 H SER 38 2.583 -11.971 0.826 308 HA SER 38 HA SER 38 4.898 -13.689 0.472 309 1HB SER 38 1HB SER 38 3.256 -14.501 -1.376 310 2HB SER 38 2HB SER 38 2.727 -14.668 0.311 311 HG SER 38 HG SER 38 1.085 -13.685 -0.944 312 H LEU 39 H LEU 39 2.898 -11.762 -1.695 313 HA LEU 39 HA LEU 39 4.689 -11.706 -3.848 314 1HB LEU 39 1HB LEU 39 2.501 -9.751 -3.192 315 2HB LEU 39 2HB LEU 39 3.275 -9.886 -4.773 316 HG LEU 39 HG LEU 39 1.713 -12.123 -3.406 317 1HD1 LEU 39 3HD1 LEU 39 0.303 -10.190 -4.110 318 2HD1 LEU 39 1HD1 LEU 39 0.963 -10.334 -5.751 319 3HD1 LEU 39 2HD1 LEU 39 -0.031 -11.641 -5.072 320 1HD2 LEU 39 3HD2 LEU 39 2.932 -11.926 -6.194 321 2HD2 LEU 39 1HD2 LEU 39 3.354 -13.099 -4.924 322 3HD2 LEU 39 2HD2 LEU 39 1.767 -13.166 -5.689 323 H LEU 40 H LEU 40 4.616 -9.578 -1.053 324 HA LEU 40 HA LEU 40 6.225 -7.473 -1.782 325 1HB LEU 40 1HB LEU 40 5.377 -7.793 0.479 326 2HB LEU 40 2HB LEU 40 6.342 -9.264 0.662 327 HG LEU 40 HG LEU 40 8.436 -7.925 0.598 328 1HD1 LEU 40 3HD1 LEU 40 7.612 -5.949 -0.710 329 2HD1 LEU 40 1HD1 LEU 40 6.580 -5.502 0.668 330 3HD1 LEU 40 2HD1 LEU 40 8.344 -5.485 0.831 331 1HD2 LEU 40 1HD2 LEU 40 7.366 -8.523 2.723 332 2HD2 LEU 40 2HD2 LEU 40 8.162 -6.941 2.828 333 3HD2 LEU 40 3HD2 LEU 40 6.395 -7.038 2.658 334 H LYS 41 H LYS 41 7.236 -10.869 -1.591 335 HA LYS 41 HA LYS 41 9.302 -11.789 -1.303 336 1HB LYS 41 1HB LYS 41 8.998 -10.711 -4.108 337 2HB LYS 41 2HB LYS 41 10.079 -12.027 -3.580 338 1HG LYS 41 1HG LYS 41 8.037 -13.298 -2.813 339 2HG LYS 41 2HG LYS 41 7.063 -11.996 -3.516 340 1HD LYS 41 1HD LYS 41 7.096 -13.765 -5.091 341 2HD LYS 41 2HD LYS 41 8.041 -12.419 -5.748 342 1HE LYS 41 1HE LYS 41 10.145 -13.589 -5.171 343 2HE LYS 41 2HE LYS 41 9.231 -14.873 -4.354 344 1HZ LYS 41 1HZ LYS 41 9.104 -14.219 -7.213 345 2HZ LYS 41 2HZ LYS 41 9.904 -15.495 -6.545 346 3HZ LYS 41 3HZ LYS 41 8.261 -15.420 -6.464 347 H GLY 42 H GLY 42 10.498 -9.500 -3.699 348 1HA GLY 42 1HA GLY 42 12.117 -7.738 -2.564 349 2HA GLY 42 2HA GLY 42 12.995 -9.245 -2.193 350 H GLY 43 H GLY 43 14.698 -8.803 -3.642 351 1HA GLY 43 1HA GLY 43 15.822 -9.018 -5.639 352 2HA GLY 43 2HA GLY 43 14.327 -9.559 -6.422 353 H SER 44 H SER 44 12.641 -7.787 -6.740 354 HA SER 44 HA SER 44 13.811 -5.409 -7.961 355 1HB SER 44 1HB SER 44 10.903 -6.015 -7.276 356 2HB SER 44 2HB SER 44 11.508 -4.769 -8.392 357 HG SER 44 HG SER 44 10.863 -6.690 -9.504 358 H THR 45 H THR 45 13.832 -3.301 -7.004 359 HA THR 45 HA THR 45 13.640 -3.312 -4.072 360 HB THR 45 HB THR 45 14.537 -1.061 -4.201 361 HG1 THR 45 HG1 THR 45 15.139 -0.366 -6.404 362 1HG2 THR 45 3HG2 THR 45 16.088 -3.014 -4.376 363 2HG2 THR 45 1HG2 THR 45 16.015 -2.899 -6.146 364 3HG2 THR 45 2HG2 THR 45 16.705 -1.569 -5.195 365 H LEU 46 H LEU 46 12.266 -1.904 -2.857 366 HA LEU 46 HA LEU 46 9.622 -1.489 -3.711 367 1HB LEU 46 1HB LEU 46 10.285 -1.382 -1.346 368 2HB LEU 46 2HB LEU 46 11.365 -0.020 -1.684 369 HG LEU 46 HG LEU 46 9.429 1.423 -2.219 370 1HD1 LEU 46 1HD1 LEU 46 7.764 -0.999 -1.370 371 2HD1 LEU 46 2HD1 LEU 46 7.133 0.644 -1.605 372 3HD1 LEU 46 3HD1 LEU 46 7.776 -0.255 -2.985 373 1HD2 LEU 46 1HD2 LEU 46 10.356 1.336 0.061 374 2HD2 LEU 46 2HD2 LEU 46 8.612 1.646 0.076 375 3HD2 LEU 46 3HD2 LEU 46 9.228 0.024 0.472 376 H ASP 47 H ASP 47 12.445 0.653 -3.862 377 HA ASP 47 HA ASP 47 11.240 2.906 -4.994 378 1HB ASP 47 1HB ASP 47 14.040 1.786 -5.449 379 2HB ASP 47 2HB ASP 47 13.523 3.447 -5.765 380 H GLU 48 H GLU 48 12.803 0.172 -6.674 381 HA GLU 48 HA GLU 48 12.249 1.012 -9.313 382 1HB GLU 48 1HB GLU 48 13.802 -0.802 -8.731 383 2HB GLU 48 2HB GLU 48 12.450 -1.797 -8.158 384 1HG GLU 48 1HG GLU 48 11.547 -1.896 -10.467 385 2HG GLU 48 2HG GLU 48 12.858 -0.838 -11.022 386 H LEU 49 H LEU 49 10.342 -1.079 -7.151 387 HA LEU 49 HA LEU 49 8.197 -1.515 -8.953 388 1HB LEU 49 1HB LEU 49 8.521 -2.840 -6.919 389 2HB LEU 49 2HB LEU 49 8.216 -1.421 -5.913 390 HG LEU 49 HG LEU 49 5.881 -1.315 -6.704 391 1HD1 LEU 49 1HD1 LEU 49 6.594 -3.830 -8.287 392 2HD1 LEU 49 2HD1 LEU 49 4.945 -3.243 -7.999 393 3HD1 LEU 49 3HD1 LEU 49 6.061 -2.275 -8.964 394 1HD2 LEU 49 1HD2 LEU 49 6.502 -2.645 -4.708 395 2HD2 LEU 49 2HD2 LEU 49 5.093 -3.321 -5.546 396 3HD2 LEU 49 3HD2 LEU 49 6.686 -4.087 -5.728 397 H PHE 50 H PHE 50 8.685 0.996 -6.498 398 HA PHE 50 HA PHE 50 6.233 2.369 -6.802 399 1HB PHE 50 1HB PHE 50 7.843 2.718 -4.957 400 2HB PHE 50 2HB PHE 50 8.988 3.448 -6.069 401 HD1 PHE 50 HD1 PHE 50 5.613 3.835 -4.560 402 HD2 PHE 50 HD2 PHE 50 8.777 5.804 -6.715 403 HE1 PHE 50 HE1 PHE 50 4.789 6.004 -3.761 404 HE2 PHE 50 HE2 PHE 50 7.961 7.999 -5.883 405 HZ PHE 50 HZ PHE 50 6.095 8.078 -4.250 406 H GLU 51 H GLU 51 9.384 2.860 -8.473 407 HA GLU 51 HA GLU 51 8.511 5.012 -10.124 408 1HB GLU 51 1HB GLU 51 10.662 2.884 -10.492 409 2HB GLU 51 2HB GLU 51 10.471 4.272 -11.571 410 1HG GLU 51 1HG GLU 51 11.038 5.839 -9.879 411 2HG GLU 51 2HG GLU 51 10.805 4.681 -8.571 412 H GLU 52 H GLU 52 8.531 1.503 -10.663 413 HA GLU 52 HA GLU 52 7.484 1.484 -13.283 414 1HB GLU 52 1HB GLU 52 8.401 -0.496 -12.030 415 2HB GLU 52 2HB GLU 52 6.905 -0.549 -11.088 416 1HG GLU 52 1HG GLU 52 5.624 -0.826 -13.254 417 2HG GLU 52 2HG GLU 52 7.180 -0.960 -14.089 418 H LEU 53 H LEU 53 5.763 1.446 -10.166 419 HA LEU 53 HA LEU 53 3.138 1.419 -11.356 420 1HB LEU 53 1HB LEU 53 4.121 2.117 -8.559 421 2HB LEU 53 2HB LEU 53 2.435 1.964 -9.037 422 HG LEU 53 HG LEU 53 4.480 -0.290 -9.083 423 1HD1 LEU 53 3HD1 LEU 53 3.759 0.425 -6.821 424 2HD1 LEU 53 1HD1 LEU 53 2.062 0.201 -7.298 425 3HD1 LEU 53 2HD1 LEU 53 3.161 -1.194 -7.225 426 1HD2 LEU 53 3HD2 LEU 53 1.532 -0.324 -9.808 427 2HD2 LEU 53 1HD2 LEU 53 2.913 -0.694 -10.873 428 3HD2 LEU 53 2HD2 LEU 53 2.548 -1.762 -9.529 429 H ASP 54 H ASP 54 5.136 4.014 -10.031 430 HA ASP 54 HA ASP 54 3.187 6.117 -10.513 431 1HB ASP 54 1HB ASP 54 4.864 6.295 -8.709 432 2HB ASP 54 2HB ASP 54 6.151 6.226 -9.904 433 H LYS 55 H LYS 55 3.092 4.917 -12.823 434 HA LYS 55 HA LYS 55 5.195 5.359 -14.644 435 1HB LYS 55 1HB LYS 55 3.075 3.741 -14.691 436 2HB LYS 55 2HB LYS 55 2.334 5.083 -15.568 437 1HG LYS 55 1HG LYS 55 3.223 3.698 -17.243 438 2HG LYS 55 2HG LYS 55 4.438 4.979 -17.103 439 1HD LYS 55 1HD LYS 55 5.723 3.415 -15.504 440 2HD LYS 55 2HD LYS 55 4.545 2.165 -15.882 441 1HE LYS 55 1HE LYS 55 6.378 3.579 -17.884 442 2HE LYS 55 2HE LYS 55 6.625 1.959 -17.217 443 1HZ LYS 55 3HZ LYS 55 4.572 1.285 -18.240 444 2HZ LYS 55 1HZ LYS 55 4.357 2.788 -18.883 445 3HZ LYS 55 2HZ LYS 55 5.631 1.862 -19.363 446 H ASN 56 H ASN 56 2.575 7.472 -13.650 447 HA ASN 56 HA ASN 56 2.970 9.338 -15.874 448 1HB ASN 56 1HB ASN 56 1.373 10.728 -14.879 449 2HB ASN 56 2HB ASN 56 0.779 9.070 -14.714 450 1HD2 ASN 56 1HD2 ASN 56 0.095 10.511 -11.426 451 2HD2 ASN 56 2HD2 ASN 56 -0.624 10.455 -13.044 452 H GLY 57 H GLY 57 4.775 8.604 -13.051 453 1HA GLY 57 1HA GLY 57 6.585 9.561 -12.121 454 2HA GLY 57 2HA GLY 57 6.702 10.606 -13.542 455 H ASP 58 H ASP 58 3.844 10.611 -11.318 456 HA ASP 58 HA ASP 58 4.257 13.434 -10.894 457 1HB ASP 58 1HB ASP 58 2.192 13.454 -9.853 458 2HB ASP 58 2HB ASP 58 2.041 12.426 -11.263 459 H GLY 59 H GLY 59 5.406 10.640 -9.224 460 1HA GLY 59 1HA GLY 59 7.157 10.971 -7.641 461 2HA GLY 59 2HA GLY 59 6.332 12.375 -6.964 462 H GLU 60 H GLU 60 3.831 10.303 -7.465 463 HA GLU 60 HA GLU 60 4.150 8.389 -5.263 464 1HB GLU 60 1HB GLU 60 2.010 10.560 -5.370 465 2HB GLU 60 2HB GLU 60 2.007 9.160 -4.275 466 1HG GLU 60 1HG GLU 60 4.209 10.007 -3.335 467 2HG GLU 60 2HG GLU 60 3.934 11.503 -4.243 468 H VAL 61 H VAL 61 1.948 7.127 -5.247 469 HA VAL 61 HA VAL 61 1.389 6.561 -8.142 470 HB VAL 61 HB VAL 61 0.937 4.631 -5.878 471 1HG1 VAL 61 3HG1 VAL 61 -0.049 4.329 -8.239 472 2HG1 VAL 61 1HG1 VAL 61 1.635 4.218 -8.802 473 3HG1 VAL 61 2HG1 VAL 61 0.991 3.022 -7.649 474 1HG2 VAL 61 3HG2 VAL 61 3.472 5.183 -7.475 475 2HG2 VAL 61 1HG2 VAL 61 3.305 5.142 -5.708 476 3HG2 VAL 61 2HG2 VAL 61 3.180 3.651 -6.661 477 H SER 62 H SER 62 -0.464 7.383 -8.856 478 HA SER 62 HA SER 62 -2.802 7.809 -7.132 479 1HB SER 62 1HB SER 62 -3.858 8.597 -9.220 480 2HB SER 62 2HB SER 62 -2.312 9.409 -8.912 481 HG SER 62 HG SER 62 -1.350 8.230 -10.479 482 H PHE 63 H PHE 63 -4.934 6.780 -7.695 483 HA PHE 63 HA PHE 63 -4.697 4.000 -7.592 484 1HB PHE 63 1HB PHE 63 -6.666 5.234 -6.767 485 2HB PHE 63 2HB PHE 63 -7.150 5.590 -8.427 486 HD1 PHE 63 HD1 PHE 63 -6.197 2.659 -6.267 487 HD2 PHE 63 HD2 PHE 63 -8.659 4.054 -9.510 488 HE1 PHE 63 HE1 PHE 63 -7.384 0.494 -6.287 489 HE2 PHE 63 HE2 PHE 63 -9.766 1.835 -9.606 490 HZ PHE 63 HZ PHE 63 -9.139 0.048 -7.963 491 H GLU 64 H GLU 64 -5.246 6.081 -10.399 492 HA GLU 64 HA GLU 64 -6.049 4.014 -12.165 493 1HB GLU 64 1HB GLU 64 -4.738 6.738 -12.691 494 2HB GLU 64 2HB GLU 64 -5.373 5.680 -13.955 495 1HG GLU 64 1HG GLU 64 -7.018 7.392 -13.414 496 2HG GLU 64 2HG GLU 64 -7.630 5.788 -12.993 497 H GLU 65 H GLU 65 -2.794 5.587 -11.816 498 HA GLU 65 HA GLU 65 -1.571 3.635 -13.547 499 1HB GLU 65 1HB GLU 65 0.520 4.628 -12.955 500 2HB GLU 65 2HB GLU 65 -0.694 5.876 -13.254 501 1HG GLU 65 1HG GLU 65 -1.053 5.901 -10.687 502 2HG GLU 65 2HG GLU 65 0.437 4.971 -10.584 503 H PHE 66 H PHE 66 -2.111 3.743 -10.006 504 HA PHE 66 HA PHE 66 -0.636 1.454 -9.233 505 1HB PHE 66 1HB PHE 66 -1.672 2.802 -7.561 506 2HB PHE 66 2HB PHE 66 -3.194 2.706 -8.402 507 HD1 PHE 66 HD1 PHE 66 -0.896 0.651 -6.283 508 HD2 PHE 66 HD2 PHE 66 -4.800 1.128 -7.998 509 HE1 PHE 66 HE1 PHE 66 -1.815 -1.036 -4.693 510 HE2 PHE 66 HE2 PHE 66 -5.624 -0.818 -6.744 511 HZ PHE 66 HZ PHE 66 -4.187 -1.741 -4.863 512 H GLN 67 H GLN 67 -3.583 1.644 -11.267 513 HA GLN 67 HA GLN 67 -4.312 -1.066 -11.031 514 1HB GLN 67 1HB GLN 67 -4.467 0.548 -13.601 515 2HB GLN 67 2HB GLN 67 -5.252 -0.988 -13.268 516 1HG GLN 67 1HG GLN 67 -5.938 1.679 -12.031 517 2HG GLN 67 2HG GLN 67 -6.939 0.620 -13.013 518 1HE2 GLN 67 1HE2 GLN 67 -6.595 0.136 -8.953 519 2HE2 GLN 67 2HE2 GLN 67 -5.751 1.368 -9.868 520 H VAL 68 H VAL 68 -1.374 0.175 -12.486 521 HA VAL 68 HA VAL 68 -0.674 -2.090 -14.056 522 HB VAL 68 HB VAL 68 1.015 -0.199 -12.377 523 1HG1 VAL 68 1HG1 VAL 68 1.915 -2.272 -14.428 524 2HG1 VAL 68 2HG1 VAL 68 2.937 -0.989 -13.752 525 3HG1 VAL 68 3HG1 VAL 68 2.321 -2.265 -12.700 526 1HG2 VAL 68 1HG2 VAL 68 -0.229 0.801 -14.339 527 2HG2 VAL 68 2HG2 VAL 68 1.528 0.838 -14.537 528 3HG2 VAL 68 3HG2 VAL 68 0.561 -0.380 -15.393 529 H LEU 69 H LEU 69 -0.701 -1.618 -10.503 530 HA LEU 69 HA LEU 69 0.621 -4.165 -9.984 531 1HB LEU 69 1HB LEU 69 0.603 -2.153 -8.384 532 2HB LEU 69 2HB LEU 69 -1.108 -2.467 -8.130 533 HG LEU 69 HG LEU 69 -0.441 -4.832 -7.369 534 1HD1 LEU 69 1HD1 LEU 69 2.312 -3.517 -7.272 535 2HD1 LEU 69 2HD1 LEU 69 1.880 -5.068 -6.527 536 3HD1 LEU 69 3HD1 LEU 69 1.863 -4.906 -8.286 537 1HD2 LEU 69 3HD2 LEU 69 0.498 -2.411 -5.785 538 2HD2 LEU 69 1HD2 LEU 69 -1.139 -3.110 -5.809 539 3HD2 LEU 69 2HD2 LEU 69 0.202 -4.031 -5.115 540 H VAL 70 H VAL 70 -2.713 -2.843 -9.864 541 HA VAL 70 HA VAL 70 -4.049 -5.145 -9.001 542 HB VAL 70 HB VAL 70 -5.099 -3.098 -10.995 543 1HG1 VAL 70 1HG1 VAL 70 -6.571 -5.042 -9.184 544 2HG1 VAL 70 2HG1 VAL 70 -7.320 -3.709 -10.085 545 3HG1 VAL 70 3HG1 VAL 70 -6.554 -5.038 -10.957 546 1HG2 VAL 70 3HG2 VAL 70 -5.137 -3.172 -7.936 547 2HG2 VAL 70 1HG2 VAL 70 -4.327 -1.967 -8.938 548 3HG2 VAL 70 2HG2 VAL 70 -6.094 -2.059 -8.916 549 H LYS 71 H LYS 71 -3.081 -4.282 -12.336 550 HA LYS 71 HA LYS 71 -4.174 -6.466 -13.686 551 1HB LYS 71 1HB LYS 71 -3.161 -4.655 -14.897 552 2HB LYS 71 2HB LYS 71 -1.613 -4.887 -14.088 553 1HG LYS 71 1HG LYS 71 -1.496 -5.661 -16.359 554 2HG LYS 71 2HG LYS 71 -1.235 -6.997 -15.234 555 1HD LYS 71 1HD LYS 71 -3.606 -7.736 -15.572 556 2HD LYS 71 2HD LYS 71 -3.877 -6.378 -16.673 557 1HE LYS 71 1HE LYS 71 -1.866 -8.650 -17.082 558 2HE LYS 71 2HE LYS 71 -3.461 -8.539 -17.842 559 1HZ LYS 71 3HZ LYS 71 -2.755 -6.513 -18.898 560 2HZ LYS 71 1HZ LYS 71 -1.255 -6.643 -18.227 561 3HZ LYS 71 2HZ LYS 71 -1.775 -7.773 -19.305 562 H LYS 72 H LYS 72 -0.919 -6.294 -12.253 563 HA LYS 72 HA LYS 72 -0.234 -9.016 -12.689 564 1HB LYS 72 1HB LYS 72 0.742 -7.009 -10.622 565 2HB LYS 72 2HB LYS 72 1.234 -8.699 -10.584 566 1HG LYS 72 1HG LYS 72 2.952 -7.656 -11.725 567 2HG LYS 72 2HG LYS 72 2.024 -8.505 -12.968 568 1HD LYS 72 1HD LYS 72 0.929 -6.324 -13.576 569 2HD LYS 72 2HD LYS 72 1.824 -5.545 -12.255 570 1HE LYS 72 1HE LYS 72 2.905 -5.062 -14.376 571 2HE LYS 72 2HE LYS 72 3.969 -6.044 -13.360 572 1HZ LYS 72 1HZ LYS 72 2.287 -7.052 -15.553 573 2HZ LYS 72 2HZ LYS 72 3.913 -6.800 -15.626 574 3HZ LYS 72 3HZ LYS 72 3.305 -7.960 -14.627 575 H ILE 73 H ILE 73 -1.896 -7.516 -9.930 576 HA ILE 73 HA ILE 73 -2.059 -9.954 -8.404 577 HB ILE 73 HB ILE 73 -3.899 -7.542 -8.299 578 1HG1 ILE 73 1HG1 ILE 73 -1.582 -6.918 -7.801 579 2HG1 ILE 73 2HG1 ILE 73 -2.618 -6.804 -6.384 580 1HG2 ILE 73 1HG2 ILE 73 -3.597 -9.950 -6.467 581 2HG2 ILE 73 2HG2 ILE 73 -4.331 -8.428 -5.941 582 3HG2 ILE 73 3HG2 ILE 73 -5.059 -9.334 -7.260 583 1HD1 ILE 73 3HD1 ILE 73 -1.662 -9.005 -5.594 584 2HD1 ILE 73 1HD1 ILE 73 -0.569 -8.971 -7.000 585 3HD1 ILE 73 2HD1 ILE 73 -0.468 -7.708 -5.763 586 H SER 74 H SER 74 -4.149 -8.539 -10.854 587 HA SER 74 HA SER 74 -6.011 -9.077 -11.880 588 1HB SER 74 1HB SER 74 -6.414 -11.331 -12.619 589 2HB SER 74 2HB SER 74 -4.686 -10.940 -12.716 590 HG SER 74 HG SER 74 -4.468 -12.087 -10.682 591 H GLN 75 H GLN 75 -6.242 -11.798 -9.705 592 HA GLN 75 HA GLN 75 -8.341 -10.431 -8.035 593 1HB GLN 75 1HB GLN 75 -8.174 -13.315 -8.998 594 2HB GLN 75 2HB GLN 75 -9.170 -12.837 -7.618 595 1HG GLN 75 1HG GLN 75 -9.460 -11.500 -10.342 596 2HG GLN 75 2HG GLN 75 -10.332 -12.972 -9.909 597 1HE2 GLN 75 1HE2 GLN 75 -12.524 -11.406 -7.554 598 2HE2 GLN 75 2HE2 GLN 75 -11.683 -12.908 -7.880 No H/Q in entry = 598 No H/Q in entry = 598
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